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Morikawa Yoshitada

森川 良忠

Professor

Education

  • 1991/04 - 1994/03, The University of Tokyo, Graduate School of Science, Department of Physics
  • 1989/04 - 1991/03, Kyoto University, Graduate School of Science, Department of Chemistry
  • 1985/04 - 1989/03, Kyoto University, Faculty of Science

Research History

  • 2020/04 - Present, Osaka University Graduate School of Engineering ., Professor
  • 2009/10 - 2020/03, Department of Precision Science and Technology, Graduate School of Engineering, Osaka University, Professor
  • 2007/04 - 2009/09, Osaka University The Institute of Scientific and Industrial Research, Associate Professor
  • 2004/04 - 2007/03, Osaka University The Institute of Scientific and Industrial Research, The Institute of Scientific and Industrial Research, Associate Professor
  • 2003/04 - 2004/03, Center for Atomic-scale Materials Physics, Technical University of Denmark, Visiting Associate Professor
  • 2001/04 - 2004/03, National Institute of Advanced Industrial Science and Technology (AIST), Senior Researcher
  • 2000/04 - 2002/03, School of Materials Science, Japan Advanced Institute of Science and Industry (JAIST), Visiting Associate Professor
  • 1998/10 - 2001/03, National Institute for Advanced Interdisciplinary Research, Senior Researcher
  • 1995/04 - 1998/09, National Institute for Advanced Interdisciplinary Research (NAIR), Research Scientist
  • 1994/04 - 1995/03, JSPS Fellow (PD)
  • 1992/04 - 1994/03, JSPS Fellow (DC)

Research Areas

  • Manufacturing technology (mechanical, electrical/electronic, chemical engineering), Electronic devices and equipment
  • Natural sciences, Semiconductors, optical and atomic physics
  • Nanotechnology/Materials, Nanobioscience
  • Nanotechnology/Materials, Nanomaterials
  • Nanotechnology/Materials, Nanostructure physics
  • Nanotechnology/Materials, Nanostructure chemistry

Professional Memberships

  • The Surface Science Society of Japan
  • The Japan Society of Applied Physics
  • The Chemical Society of Japan
  • The Physical Society of Japan

Papers

  • Chemical stability of hydrogen boride nanosheets in water, Kurt Irvin M. Rojas,Nguyen Thanh Cuong,Hiroaki Nishino,Ryota Ishibiki,Shin-ichi Ito,Masahiro Miyauchi,Yoshitaka Fujimoto,Satoshi Tominaka,Susumu Okada,Hideo Hosono,Nelson B. Arboleda,Takahiro Kondo,Yoshitada Morikawa,Ikutaro Hamada, Communications Materials, Springer Science and Business Media LLC, Vol. 2, No. 1, p. 1-8, 2021/12
  • Dry Reforming of Methane on Cobalt Catalysts: DFT-Based Insights into Carbon Deposition Versus Removal, YeeJie Wong,Harry H. Halim,N. Fazila Khairudin,Thanh Ngoc Pham,Septia E. M. Putra,Yuji Hamamoto,Kouji Inagaki,Ikutaro Hamada,Abdul Rahman Mohamed,Yoshitada Morikawa, The Journal of Physical Chemistry C, American Chemical Society (ACS), Vol. 125, No. 40, p. 21902-21913, 2021/10/14
  • Isotope effect of methane adsorbed on fcc metal (1 1 1) surfaces, Septia Eka Marsha Putra,Yoshitada Morikawa,Ikutaro Hamada, Chemical Physics Letters, Elsevier BV, Vol. 780, p. 138943-138943, 2021/10
  • Mechanistic insight into oxygen vacancy migration in SrFeO3−δ from DFT+U simulations, Musa Alaydrus,Ikutaro Hamada,Yoshitada Morikawa, Physical Chemistry Chemical Physics, Royal Society of Chemistry (RSC), Vol. 23, No. 34, p. 18628-18639, 2021/08
  • Diffusion of excessively adsorbed hydrogen atoms on hydrogen terminated Si(100)(2×1) surface, Kouji Inagaki,Yoshitada Morikawa,Hiromasa Ohmi,Kiyoshi Yasutake,Hiroaki Kakiuchi, AIP Advances, AIP Publishing, Vol. 11, No. 8, p. 085318-085318, 2021/08/01
  • Theoretical study on adsorption and reaction of polymeric formic acid on the Cu(111) surface, Septia Eka Marsha Putra,Fahdzi Muttaqien,Yuji Hamamoto,Kouji Inagaki,Akitoshi Shiotari,Jun Yoshinobu,Yoshitada Morikawa,Ikutaro Hamada, Physical Review Materials, American Physical Society (APS), Vol. 5, No. 7, 2021/07/06
  • Activation free energies for formation and dissociation of N–N, C–C, and C–H bonds in a Na–Ga melt, Takahiro Kawamura,Masayuki Imanishi,Masashi Yoshimura,Yusuke Mori,Yoshitada Morikawa, Computational Materials Science, Elsevier BV, Vol. 194, p. 110366-110366, 2021/06
  • Adsorption of toxic gases on borophene: surface deformation links to chemisorptions, Luong Thi Ta,Ikutaro Hamada,Yoshitada Morikawa,Van An Dinh, RSC Advances, Royal Society of Chemistry (RSC), Vol. 11, No. 30, p. 18279-18287, 2021/05/20
  • Role of Intermolecular Interactions in the Catalytic Reaction of Formic Acid on Cu(111), Akitoshi Shiotari,Septia Eka Marsha Putra,Yuichiro Shiozawa,Yuji Hamamoto,Kouji Inagaki,Yoshitada Morikawa,Yoshiaki Sugimoto,Jun Yoshinobu,Ikutaro Hamada, Small, Wiley, Vol. 17, No. 20, p. 2008010-2008010, 2021/05
  • Oxidative etching mechanism of the diamond (100) surface, John Isaac Enriquez,Fahdzi Muttaqien,Masato Michiuchi,Kouji Inagaki,Masaaki Geshi,Ikutaro Hamada,Yoshitada Morikawa, Carbon, Elsevier BV, Vol. 174, p. 36-51, 2021/04
  • Multi-scale Simulation of Equilibrium Step Fluctuations on Cu(111) Surfaces, Harry Handoko Halim,Septia Eka Marsha Putra,Fahdzi Muttaqien,Ikutaro Hamada,Kouji Inagaki,Yuji Hamamoto,Yoshitada Morikawa, ACS Omega, American Chemical Society (ACS), Vol. 6, No. 8, p. 5183-5196, 2021/03/02
  • Density functional theory study on a nitrogen-rich carbon nitride material C3N5 as photocatalyst for CO2 reduction to C1 and C2 products, Yuelin Wang,Thanh Ngoc Pham,Yu Tian,Yoshitada Morikawa,Likai Yan, Journal of Colloid and Interface Science, Elsevier BV, Vol. 585, p. 740-749, 2021/03
  • Alkaline earth atom doping-induced changes in the electronic and magnetic properties of graphene: a density functional theory study, Ace Christian F. Serraon,Julie Anne D. Del Rosario,Po-Ya Abel Chuang,Meng Nan Chong,Yoshitada Morikawa,Allan Abraham B. Padama,Joey D. Ocon, RSC Advances, Royal Society of Chemistry (RSC), Vol. 11, No. 11, p. 6268-6283, 2021/02
  • A flat-lying dimer as a key intermediate in NO reduction on Cu(100), Kenta Kuroishi,Muhammad Rifqi Al Fauzan,Thanh Ngoc Pham,Yuelin Wang,Yuji Hamamoto,Kouji Inagaki,Akitoshi Shiotari,Hiroshi Okuyama,Shinichiro Hatta,Tetsuya Aruga,Ikutaro Hamada,Yoshitada Morikawa, Physical Chemistry Chemical Physics, Royal Society of Chemistry (RSC), Vol. 23, No. 31, p. 16880-16887, 2021
  • Manipulable Metal Catalyst for Nanographene Synthesis, Akitoshi Shiotari,Ikutaro Hamada,Takahiro Nakae,Shigeki Mori,Tetsuo Okujima,Hidemitsu Uno,Hiroshi Sakaguchi,Yuji Hamamoto,Yoshitada Morikawa,Yoshiaki Sugimoto, Nano Letters, American Chemical Society (ACS), Vol. 20, No. 11, p. 8339-8345, 2020/11/11
  • Absolute surface energies of oxygen-adsorbed GaN surfaces, Takahiro Kawamura,Toru Akiyama,Akira Kitamoto,Masayuki Imanishi,Masashi Yoshimura,Yusuke Mori,Yoshitada Morikawa,Yoshihiro Kangawa,Koichi Kakimoto, Journal of Crystal Growth, Elsevier BV, Vol. 549, p. 125868-125868, 2020/11
  • Oxygen vacancy induced insulator-metal transition in LaNiO3 thin films, Huy Duy Nguyen,Cong Thanh Bach,Yoshitada Morikawa, Physical Review B, American Physical Society (APS), Vol. 102, No. 16, 2020/10/20
  • Blue moon ensemble simulation of aquation free energy profiles applied to mono and bifunctional platinum anticancer drugs, Teruo Hirakawa,David R. Bowler,Tsuyoshi Miyazaki,Yoshitada Morikawa,Lionel A. Truflandier, Journal of Computational Chemistry, Wiley, Vol. 41, No. 22, p. 1973-1984, 2020/08/15
  • Identifying Atomic-Level Correlation between Geometric and Electronic Structure at a Metal–Organic Interface, H. Koshida,H. Okuyama,S. Hatta,T. Aruga,Y. Hamamoto,I. Hamada,Y. Morikawa, The Journal of Physical Chemistry C, American Chemical Society (ACS), Vol. 124, No. 32, p. 17696-17701, 2020/08/13
  • Enhanced CO tolerance of Pt clusters supported on graphene with lattice vacancies, Yuji Hamamoto,Sasfan Arman Wella,Kouji Inagaki,Frank Abild-Pedersen,Thomas Bligaard,Ikutaro Hamada,Yoshitada Morikawa, Physical Review B, American Physical Society (APS), Vol. 102, No. 7, 2020/08/04
  • Atomic and molecular adsorption on single platinum atom at the graphene edge: A density functional theory study, Sasfan Arman Wella,Yuji Hamamoto,Ferry Iskandar,Suprijadi,Yoshitada Morikawa,Ikutaro Hamada, JOURNAL OF CHEMICAL PHYSICS, AMER INST PHYSICS, Vol. 152, No. 10, 2020/03
  • Insight into Trimeric Formation of Nitric Oxide on Cu(111): A Density Functional Theory Study, Thanh Ngoc Pham,Yuji Hamamoto,Kouji Inagaki,Do Ngoc Son,Ikutaro Hamada,Yoshitada Morikawa, JOURNAL OF PHYSICAL CHEMISTRY C, AMER CHEMICAL SOC, Vol. 124, No. 5, p. 2968-2977, 2020/02
  • Ionic-Liquid-Originated Carrier Trapping Dynamics at the Interface in Electric Double-Layer Organic FET Revealed by Operando Interfacial Analyses, Daijiro Okaue,Ichiro Tanabe,Sakurako Ono,Kota Sakamoto,Taiki Sato,Akihito Imanishi,Yoshitada Morikawa,Jun Takeya,Ken Ichi Fukui, Journal of Physical Chemistry C, Vol. 124, No. 4, p. 2543-2552, 2020/01/30
  • Analyses of three-dimensional atomic arrangements of impurities doped in Si relating to electrical activity by spectro-photoelectron holography, Kazuo Tsutsui,Yoshitada Morikawa, Japanese Journal of Applied Physics, IOP Publishing, Vol. 59, No. 1, p. 010503-010503, 2020/01/01
  • Correlation between mobility and the hydrogen bonding network of water at an electrified-graphite electrode using molecular dynamics simulation, Masaya Imai,Yasuyuki Yokota,Ichiro Tanabe,Kouji Inagaki,Yoshitada Morikawa,Ken Ichi Fukui, Physical Chemistry Chemical Physics, Vol. 22, No. 3, p. 1767-1773, 2020
  • First-principles theoretical study on carrier doping effects induced by Zn vacancies in Mn-doped in ZnSnAs2, Hidetoshi Kizaki,Yoshitada Morikawa, Jpn. J. Appl. Phys, Vol. 58, p. 110601-1-6, 2019/10
  • Development of Co Supported on Co-Al Spinel Catalysts from Exsolution of Amorphous Co-Al Oxides for Carbon Dioxide Reforming of Methane, Yee Jie Wong,Mei Kee Koh,Nor Fazila Khairudin,Satoshi Ichikawa,Yoshitada Morikawa,Abdul Rahman Mohamed, ChemCatChem., Vol. 11, No. 22, p. 5593-5605, 2019/08
  • Vibration-driven reaction of CO2 on Cu surfaces via Eley–Rideal-type mechanism, Jiamei Quan,Fahdzi Muttaqien,Takahiro Kondo,Taijun Kozarashi,Tomoyasu Mogi,Takumi Imabayashi,Yuji Hamamoto,Kouji Inagaki,Ikutaro Hamada,Yoshitada Morikawa,Junji Nakamura, Nature Chemistry, Vol. 11, p. 722-729, 2019/06
  • Catalyzed chemical polishing of SiO2 glasses in pure water, D. Toh,P. V. Bui,A. Isohashi,N. Kidani,S. Matsuyama,Y. Sano,Y. Morikawa,K. Yamauchi, Review of Scientific Instruments, Vol. 90, No. 4, 2019/04
  • Van der Waals Density Functional Study of Formic Acid Adsorption and Decomposition on Cu(111), Septia Eka Marsha Putra,Fahdzi Muttaqien,Yuji Hamamoto,Kouji Inagaki,Ikutaro Hamada,Yoshitada Morikawa, J. Chem. Phys., AMER INST PHYSICS, Vol. 150, No. 15, p. 154707-1-154707-10, 2019/04
  • Experimental and Computational Studies on Ruthenium(II) Bis-diimine Complexes of N,N'-Chelate Ligand: The Origin of the Change in the Absorption Spectra upon Oxidation and Reduction, Siew San Tan,Susumu Yanagisawa,Kouji Inagaki,Mohammad B. Kassim,Yoshitada Morikawa, Phys. Chem. Chem. Phys., Vol. 21, p. 7973-7988, 2019/03
  • Platinum Single-atom Adsorption on Graphene: A Density Functional Theory Study, Sasfan Arman Wella,Yuji Hamamoto,Suprijadi,Yoshitada Morikawa,Ikutaro Hamada, Nanoscale Adv., ROYAL SOC CHEMISTRY, Vol. 1, No. 3, p. 1165-1174, 2019/01
  • Effects of Surface Termination and Layer Thickness on Electronic Structures of LaNiO3 Thin Films, Huy Duy Nguyen,Bach Thanh Cong,Yoshitada Morikawa, Journal of the Physical Society of Japan, Vol. 87, p. 114704-1-6, 2018/10
  • First-principles study of polar, nonpolar, and semipolar GaN surfaces during oxide vapor phase epitaxy growth, T. Kawamura,A. Kitamoto,M. Imade,M. Yoshimura,Y. Mori,Y. Morikawa,Y. Kangawa,K. Kakimoto,T. Akiyama, Japanese Journal of Applied Physics, IOP PUBLISHING LTD, Vol. 57, No. 11, p. 115504-1-7, 2018/10
  • Diffusion mechanism of Na ion-polaron complex in potential cathode materials NaVOPO<inf>4</inf> and VOPO<inf>4</inf> for rechargeable sodium-ion batteries, Huu Duc Luong,Thi Dung Pham,Yoshitada Morikawa,Yoji Shibutani,Van An Dinh, Physical Chemistry Chemical Physics, Vol. 20, No. 36, p. 23625-23634, 2018/08
  • Enhancement of CO2 adsorption on oxygen-functionalized epitaxial graphene surface under near-ambient conditions, Susumu Yamamoto,Kaori Takeuchi,Yuji Hamamoto,Ro-Ya Liu,Yuichiro Shiozawa,Takanori Koitaya,Takashi Someya,Keiichiro Tashima,Hirokazu Fukidome,Kozo Mukai,Shinya Yoshimoto,Maki Suemitsu,Yoshitada Morikawa,Jun Yoshinobu,Iwao Matsuda, Physical Chemistry Chemical Physics, Royal Society of Chemistry (RSC), Vol. 20, No. 29, p. 19532-19538, 2018/07
  • Potential Dependent Changes of Structural and Dynamical Properties of 1-Butyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide on Graphite Electrode Revealed by Molecular Dynamics Simulation, Hiroo Miyamoto,Yasuyuki Yokota,Akihito Imanishi,Kouji Inagaki,Yoshitada Morikawa,Ken-ichi Fukui, Phys. Chem. Chem. Phys., ROYAL SOC CHEMISTRY, Vol. 20, No. 29, p. 19408-19415, 2018/07
  • Computational Study on Atomic Structures, Electronic Properties, and Chemical Reactions at Surfaces and Interfaces and in Biomaterials, Yu Takano,Nobuhiko Kobayashi,Yoshitada Morikawa, Journal of the Physical Society of Japan, Vol. 87, p. 061013-1-7, 2018/05
  • Hydrogen Bond-Induced Nitric Oxide Dissociation on Cu(110), Thanh Ngoc Pham,Masahiro Sugiyama,Fandzi Muttaqien,Septia Eka Marsha Putra,Kouji Inagaki,Do Ngoc Song,Yuji Hamamoto,Ikutaro Hamada,Yoshitada Morikawa, JOURNAL OF PHYSICAL CHEMISTRY C, AMER CHEMICAL SOC, Vol. 122, No. 22, p. 11814-11824, 2018/05
  • Analyses of 3D atomic arrangements of impurity atoms doped in silicon by spectro-photoelectron holography technique, Kazuo Tsutsui,Tomohiro Matsushita,Takayuki Muro,Yoshitada Morikawa,Kotaro Natori,Takuya Hoshii,Kuniyuki Kakushima,Hitoshi Wakabayashi,Kouichi Hayashi,Fumihiko Matsui,Toyohiko Kinoshita, 2018 18th International Workshop on Junction Technology, IWJT 2018, Vol. 2018-January, p. 1-6, 2018/04
  • Platinum-catalyzed hydrolysis etching of SiC in water: A density functional theory study, Pho Van Bui,Daisetsu Toh,Ai Isohashi,Satoshi Matsuyama,Kouji Inagaki,Yasuhisa Sano,Kazuto Yamauchi,Yoshitada Morikawa, Japanese Journal of Applied Physics, The Japan Society of Applied Physics, Vol. 57, No. 5, p. 055703-1-055703-5, 2018/04
  • Microscopic properties of ionic liquid/organic semiconductor interfaces revealed by molecular dynamics simulations, Yasuyuki Yokota,Hiroo Miyamoto,Akihito Imanishi,Jun Takeya,Kouji Inagaki,Yoshitada Morikawa,Ken Ichi Fukui, Physical Chemistry Chemical Physics, Vol. 20, No. 18, p. 13075-13083, 2018/04
  • A New Pentacene Polymorph Induced by Interaction with a Bi(0001) Substrate, Tetsuroh Shirasawa,Susumu Yanagisawa,Shin-nosuke Hatada,Wolfgang Voegeli,Yoshitada Morikawa,Toshio Takahashi, Journal of Physical Chemistry C, American Chemical Society, Vol. 122, No. 11, p. 6240-6245, 2018/03
  • Characteristics and Mechanism of Catalyst-Referred Etching Method: Application to 4H-SiC, Pho Van Bui,Yasuhisa Sano,Yoshitada Morikawa,Kazuto Yamauchi, International Journal of Automation Technology, Vol. 12, No. 2, p. 154-159, 2018/03
  • Mechanistic Analysis of Oxygen Vacancy Formation and Ionic Transport in Sr3Fe2O7-d, Tadashi Ota,Hidetoshi Kizaki,Yoshitada Morikawa, J. Phys. Chem. C, American Chemical Society, Vol. 122, No. 8, p. 4172-4181, 2018/02
  • Structural and dynamic properties of 1-butyl-3-methyl-imidazolium bis(trifluoromethanesulfonyl)imide / mica and graphite interfaces revealed by molecular dynamics simulation, Y. Yokota,H. Miyamoto,A. Imanishi,K. Inagaki,Y. Morikawa,K. Fukui, Physical Chemistry Chemical Physics, Royal Society of Chemistry, Vol. 20, No. 9, p. 6668-6676, 2018/02
  • First-principles Study of ZnSnAs2-Based Dilute Magnetic Semiconductors, Hidetoshi Kizaki,Yoshitada Morikawa, Jpn. J. Appl. Phys, Japan Society of Applied Physics, Vol. 57, No. 2, p. 020306-1-4, 2018/01
  • Individual Atomic Imaging of Multiple Dopant Sites in As-Doped Si Using Spectro-Photoelectron Holography, Kazuo Tsutsui,Tomohiro Matsushita,Kotaro Natori,Takayuki Muro,Yoshitada Morikawa,Takuya Hoshii,Kuniyuki Kakushima,Hitoshi Wakabayashi,Kouichi Hayashi,Fumihiko Matsui,Toyohiko Kinoshita, Nano Lett., American Chemical Society, Vol. 17, No. 12, p. 7533-7538, 2017/12
  • Hybrid image potential states in molecular overlayers on graphene, Sasfan Arman Wella,Hiroyuki Sawada,Nana Kawaguchi,Fahdzi Muttaqien,Kouji Inagaki,Ikutaro Hamada,Yoshitada Morikawa,Yuji Hamamoto, PHYSICAL REVIEW MATERIALS, AMER PHYSICAL SOC, Vol. 1, No. 6, 2017/11
  • Computational investigations of electronic structure modifications of ferrocene-terminated self-assembled monolayers: effects of electron donating/withdrawing functional groups attached on the ferrocene moiety, Yasuyuki Yokota,Sumito Akiyama,Yukio Kaneda,Akihito Imanishi,Kouji Inagaki,Yoshitada Morikawa,Ken-ichi Fukui, Phys. Chem. Chem. Phys., ROYAL SOC CHEMISTRY, Vol. 19, No. 48, p. 32715-32722, 2017/10
  • CO2 Adsorption on the Copper Surfaces: van der Waals Density Functional and TPD Studies, F. Muttaqien,Y. Hamamoto,I. Hamada,K. Inagaki,Y. Shiozawa,K. Mukai,T. Koitaya,S. Yoshimoto,J. Yoshinobu,Y. Morikawa, J. Chem. Phys., AMER INST PHYSICS, Vol. 147, No. 9, 2017/09
  • First-Principles Molecular Dynamics Analysis of Ligand-Free SuzukiMiyaura Cross-Coupling in Water: Transmetalation and Reductive Elimination, Teruo Hirakawa,Yuta Uramoto,Susumu Yanagisawa,Takashi Ikeda,Kouji Inagaki,Yoshitada Morikawa, J. Phys. Chem. C., AMER CHEMICAL SOC, Vol. 121, No. 36, p. 19904-19914, 2017/09
  • Augmented pH-sensitivity Absorbance of Ruthenium(II) Bis(bipyridine) Complex with Elongation of the Conjugated Ligands : An Experimental and Theoretical Investigations, Siew San Tan,Susumu Yanagisawa,Kouji Inagaki,Yoshitada Morikawa,Mohammad B. Kassim, Phys. Chem. Chem. Phys., ROYAL SOC CHEMISTRY, Vol. 19, No. 37, p. 25734-25745, 2017/09
  • Desorption Dynamics of CO2 from Formate Decomposition on Cu(111), F. Muttaqien,H. Oshima,Y. Hamamoto,K. Inagaki,I. Hamada,Y. Morikawa, Chem. Comm., ROYAL SOC CHEMISTRY, Vol. 53, No. 66, p. 9222-9225, 2017/08
  • Image potential states from the van der Waals density functional, I. Hamada,Y. Hamamoto,Y. Morikawa, J. Chem. Phys., AMER INST PHYSICS, Vol. 147, No. 4, 2017/07
  • Chemical etching of silicon carbide in pure water by using platinum catalyst, A. Isohashi,P. V. Pho,S. Matsuyama,Y. Sano,K. Inagaki,Y. Morikawa,K. Yamauchi, Applied Phsyics Letters, American Institute of Physics Inc., Vol. 110, No. 20, 2017/05
  • Electronic states and growth modes of Zn atoms deposited on Cu(111) studied by XPS, UPS and DFT, T. Koitaya,Y. Shiozawa,Y. Yoshikura,K. Mukai,S. Yoshimoto,S. Torii,F. Muttaqien,Y. Hamamoto,K. Inagaki,Y. Morikawa,J. Yoshinobu, Surf. Sci., ELSEVIER SCIENCE BV, Vol. 663, p. 1-10, 2017/04
  • 結晶成長とエッチング反応過程の第一原理シミュレーション, 森川良忠,赤木和人,小野倫也,稲垣耕司,木崎栄年,濵本雄治, 2017/03
  • 第一原理計算によるグラフェンに吸着したナフタレン分子層の 鏡像状態の研究, Sasfan Arman Wella,澤田寛之,川口奈々,Fahdzi Muttaqien,濱田幾太郎,稲垣耕司,森川良忠,濱本雄治, 2017/03
  • 第一原理計算によるグラフェン格子欠陥上Ptクラスターの CO耐性発現機構の研究, 濱本雄治,Sasfan Arman Wella,稲垣耕司,森川良忠, 2017/03
  • First-principles study of the surface phase diagrams of GaN(0001) and (000-1) under oxide vapor phase epitaxy growth conditions, Takahiro Kawamura,Akira Kitamoto,Mamoru Imade,Masashi Yoshimura,Yusuke Mori,Yoshitada Morikawa,Yoshihiro Kangawa,Koichi Kakimoto, PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, WILEY-V C H VERLAG GMBH, Vol. 254, No. 8, p. 1600706-1600706, 2017/03
  • The Effect of pH on Optical Intensities of a Ruthenium(II) Phenanthroline-thiourea complex: An Experimental and Theoretical Investigation, Siew San Tan,Mohammad B. Kassim,Kouji Inagaki,Yoshitada Morikawa, 2017/01
  • Image potential states of lead phthalocyanine on graphene from first principles, Hiroyuki Sawada,Sasfan Arman Wella,Yuji Hamamoto,Kouji Inagaki,Yoshitada Morikawa, 2017/01
  • Benzene adsorption on Si(100) revisited: van der Waals density functional study, Yuji Hamamoto,Ikutaro Hamada,Kouji Inagaki,Yoshitada Morikawa, 2017/01
  • The adsorption of CO2 on graphene: A combined TPD, XPS, vdW-DF study, K. Takeuchi,S. Yamamoto,Y. Hamamoto,Y. Shiozawa,K. Tashima,H. Fukidome,T. Koitaya,K. Mukai,S. Yoshimoto,M. Suemitsu,Y. Morikawa,J. Yoshinobu,I. Matsuda, J. Phys. Chem. C, American Chemical Society, Vol. 121, No. 5, p. 2807-2814, 2017/01
  • Molecular dynamics simulation of damage formation in Ni due to H<sup>+</sup> ion bombardment, Trung Phung,Isobe Michiro,Morikawa Yoshitada,Inagaki Kouji,Hamaguchi Satoshi, Proceedings of JSPE Semestrial Meeting, The Japan Society for Precision Engineering, Vol. 2017, No. 0, p. 257-258, 2017
  • First-Principles Molecular Dynamics Analysis of Ligand-Free Suzuki-Miyaura Cross Coupling in Water Solvent: Oxidative Addition Step, T. Hirakawa,Y. Uramoto,D. Mimura,A. Takeda,S. Yanagisawa,T. Ikeda,K. Inagaki,Y. Morikawa, J. Phys. Chem. B, AMER CHEMICAL SOC, Vol. 121, No. 1, p. 164-173, 2017/01
  • First Principles Analysis of dsorption Geometry and Electronic Properties of Monolayer Naphthalene on Graphene, Sasfan Arman Wella,Nana Kawaguchi,Hiroyuki Sawada,Fahdzi Muttaqien,Kouji Inagaki,Ikutaro Hamada,Yoshitada Morikawa,Yuji Hamamoto, 2016/12
  • van der Waals密度汎関数法によるグラフェン上ナフタレンおよびPbPcの吸着構造の研究, 濱本雄治,Sasfan Arman Wella,澤田寛之,稲垣耕司,森川良忠, 2016/11
  • Photoelectron Holographic Atomic Arrangement Imaging of Cleaved Bimetal-intercalated Graphite Superconductor Surface, F. Matsui,R. Eguchi,S. Nishiyama,M. Izumi,E. Uesugi,H. Goto,T. Matsushita,K. Sugita,H. Daimon,Y. Hamamoto,I. Hamada,Y. Morikawa,Y. Kubozono, Scientific Report, Nature Publishing Group, Vol. 6, 2016/11
  • First-principles Investigations on Atomic Processes at Surfaces and Interfaces Related to Energy and Environmental Problems, Yoshitada Morikawa, 2016/10
  • First-principles Simulations on Chemical Reactions at Surfaces and Interfaces Related to Energy and Environmental Problems, Yoshitada Morikawa, 2016/10
  • 第一原理熱力学・統計力学シミュレーションによる界面触媒反応過程の解明, 浦元優太,平川皓朗,柳澤将,池田隆司,稲垣耕司,森川良忠, 2016/10
  • First principles analysis of naphthalene on graphene at high coverage, Sasfan Arman Wella,Nana Kawaguchi,Hiroyuki Sawada,Fahdzi Muttaqien,Yuji Hamamoto,Kouji Inagaki,Ikutaro Hamada,Yoshitada Morikawa, 2016/09
  • 第一原理計算によるグラフェン格子担持Ptクラスターの解析, 濱本雄治,Sasfan Arman Wella,稲垣耕司,森川良忠, 2016/09
  • 第一原理計算によるSr3Fe2O7-δの電気的/磁気的構造と酸素原子拡散過程の解明, 太田督,木崎栄年,森川良忠, 2016/09
  • First principles study of CO adsorption on Pt clusters deposited on defective Graphene, Yuji Hamamoto,Sasfan Arman Wella,Kouji Inagaki,Yoshitada Morikawa, 2016/08
  • Naphthalene Adsorption on Graphene: van der Waals Density Functional Study, Sasfan Arman WELLA,Nana KAWAGUCHI,Hiroyuki SAWADA,Fahdzi MUTTAQIEN,Yuji HAMAMOTO,Kouji INAGAKI,Ikutaro HAMADA,Yoshitada MORIKAWA, 2016/08
  • Formic Acid Decomposition on the Cu(111) Surface: van der Waals Density Functional Study, Fahdzi Muttaqien,Yuji Hamamoto,Hidetoshi Kizaki,Kouji Inagaki,Yoshitada Morikawa, 2016/08
  • Ab initio molecular dynamics of solvation effects on reactivity at electrified interfaces, Jeffrey A. Herron,Yoshitada Morikawa,Manos Mavrikakis, Proceedings of the National Academy of Sciences of the United States of America, National Academy of Sciences, Vol. 113, No. 34, p. E4937-E4945, 2016/08
  • Self-consistent van der Waals density functional study of benzene adsorption on Si(100), Yuji Hamamoto,Ikutaro Hamada,Kouji Inagaki,Yoshitada Morikawa, PHYSICAL REVIEW B, AMER PHYSICAL SOC, Vol. 93, No. 24, 2016/06
  • Theoretical Study on Electronic Structure of Bathocuproine: Renormalization of the Band Gap in the Crystalline State and the Large Exciton Binding Energy, Susumu Yanagisawa,Shin-no-suke Hatada,Yoshitada Morikawa, JOURNAL OF THE CHINESE CHEMICAL SOCIETY, WILEY-V C H VERLAG GMBH, Vol. 63, No. 6, p. 513-520, 2016/04
  • Density Functional Theory Investigations of Ferrocene-Terminated Self-Assembled Monolayers: Electronic State Changes Induced by Electric Dipole Field of Coadsorbed Species, Yasuyuki Yokota,Sumito Akiyama,Yukio Kaneda,Akihito Imanishi,Kouji Inagaki,Yoshitada Morikawa,Ken-ichi Fukui, JOURNAL OF PHYSICAL CHEMISTRY C, AMER CHEMICAL SOC, Vol. 120, No. 16, p. 8684-8692, 2016/04
  • Study of Naphthalene Adsorption on Graphene: van der Waals Density Functional Theory, Sasfan Arman WellaA, B,Nana KawaguchiC,Fahdzi MuttaqienA,Yuji HamamotoA,Kouji InagakiA,Ikutaro HamadaD,Yoshida Morikawa, 2016/03
  • Role of Subsurface Hydrogen in Formate Hydrogenation on Flat and Stepped Cu Surfaces, Fahdzi Muttaqien,Yuji Hamamoto,Hidetoshi Kizaki,Kouji Inagaki,Yoshitada Morikawa, 2016/03
  • ZnSnAs2ベ-ススピントロニクスマテリアルデザイン, 木﨑 栄年,森川 良忠, 2016/03
  • グラフェン担持Ptクラスターに対する格子欠陥の影響, 濱本雄治,Sasfan Arman Wella,稲垣耕司,森川良忠, 2016/03
  • DFT計算によるLaFeO3(001)面におけるFeO2終端表面上のNO分子吸着と磁性及び酸素欠陥の効果, 木崎栄年,森川良忠, 2016/03
  • First-principles Simulations of Catalytic Reactions in Crystal Growthand EtchingProcesses at Semiconductor Interfaces, Y. Morikawa, 2016/03
  • Mechanism for enhanced single-crystal GaN growth in the C-assisted Na-flux method, Kawamura Takahiro,Imabayashi Hiroki,Maruyama Mihoko,Imade Mamoru,Yoshimura Masashi,Mori Yusuke,Morikawa Yoshitada, APPLIED PHYSICS EXPRESS, Vol. 9, No. 1, 2016/01
  • First-principles Study on Catalytic Reactions in Crystal Growth and Etching Processes at Semiconductor Surfaces, Y. Morikawa, 2015/11
  • Study on the mechanism of platinum-assisted hydrofluoric acid etching of SiC using density functional theory calculations, P. V. Bui,A. Isohashi,H. Kizaki,Y. Sano,K. Yamauchi,Y. Morikawa,K. inagaki, Applied Physics Letters, Vol. 107, No. 20, p. 201601-1-201601-4, 2015/11
  • Catalytic Reactions in Crystal Growth and Etching Processes at Semiconductor Surfaces: First-principles Molecular Dynamics Study, Y. Morikawa, 2015/10
  • 水溶媒を用いたリガンドフリーな鈴木反応の反応機構解析, 平川晧朗,浦元優太,武田篤哉,三村大輔,池田隆司,柳澤将,稲垣耕司,森川良忠, 2015/09
  • 第一原理シミュレーションによる不均一触媒反応過程の研究, 森川良忠,赤木和人,小野倫也,稲垣耕司,木崎栄年,濵本雄治, 2015/09
  • van der Waals密度汎関数法によるSi(100)面上benzene吸着構造の数値的研究, 濱本雄治,濱田幾太郎,稲垣耕司,森川良忠, 2015/09
  • 第一原理計算によるグラフェン欠陥に担持したPtクラスターの数値的研究, 濱本雄治,稲垣耕司,森川良忠, 2015/09
  • 第一原理シミュレーションによる活性サイトの構造・機能の解明とデザイン, 森川良忠,赤木和人,小野倫也,稲垣耕司,木崎栄年,濵本雄治, 2015/09
  • Self-consistent van der Waals density functionals applied to benzene on Si(100), Yuji Hamamoto,Ikutaro Hamada,Kouji Inagaki,Yoshitada Morikawa, 2015/09
  • 水とフッ素水溶液の第一原理分子動力学計算における原子構造の汎関数依存性, 金森仁美,和田一真,濵本雄治,木﨑栄年,稲垣耕司,森川良忠, 2015/09
  • Mechanism of Ligand-free Suzuki-Miyaura Cross Coupling in a Water Solven, T. Hirakawa,Y. Uramoto,T. Ikeda,S. Yanagisawa,K. Inagaki,Y. Morikawa, 2015/08
  • Mechanistic Insight into CO2 Dissociation on Copper Surfaces, Fahdzi Muttaqien,Yuji Hamamoto,Hidetoshi Kizaki,Kouji Inagaki,Yoshitada Morikawa, 2015/08
  • First-principles simulations of interface reactions, Y. Morikawa, 2015/08
  • Self-consistent van der Waals functionals study of molecular adsorption puzzles on metal and semiconductor surfaces, Yuji Hamamoto,Fahdzi Muttaqien,Ikutaro Hamada,Kouji Inagaki,Yoshitada Morikawa, 2015/08
  • 第一原理シミュレーションによる不均一触媒の研究, 森川良忠, 2015/06
  • First-principles Study of Catalytic Reactions in Crystal Growthand EtchingProcesses at Semiconductor Interfaces, H. Kizaki,I. Hamada,Y. Morikawa, 2015/05
  • グラフェン担持Ptクラスターに対する格子欠陥の影響, 濱本雄治,Jess Wellendorf,Felix Studt,稲垣耕司,Thomas Bligaard,森川良忠, 2015/05
  • First-principles simulations of water dissociation and adsorption of OH groups under a ClO4 molecule on Pt(322) stepped surface, H. Kizaki,I. Hamada,Y. Morikawa, 2015/05
  • First-principles investigation of the GaN growth process in carbon-added Na-flux method, Kawamura Takahiro,Imabayashi Hiroki,Maruyama Mihoko,Imade Mamoru,Yoshimura Masashi,Mori Yusuke,Morikawa Yoshitada, PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, Wiley, Vol. 252, No. 5, p. 1084-1088, 2015/05
  • van der Waals密度汎関数法による分子吸着構造の数値的研究, 濱本雄治,濱田幾太郎,稲垣耕司,森川良忠, 2015/04
  • 第一原理電子状態計算による局所構造とその電子的・化学的性質の解明, 森川 良忠,赤木和人,稲垣耕司,小野倫也,木﨑栄年,濵本雄治, 2015/03
  • Complex Insight Into CO2 Dissociation on Copper Surfaces: Cu-O-Cu chain formation and H2O effects, Fahdzi Muttaqien,Yuji Hamamoto,Hidetoshi Kizaki,Kouji Inagaki,Yoshitada Morikawa, 2015/03
  • 第一原理計算によるグラフェン担持Ptクラスター上の分子吸着構造の研究, 濱本雄治,Jess Wellendorf,Felix Studt,Fahdzi Muttaqien,稲垣耕司,Thomas Bligaard,森川良忠, 2015/03
  • 金属クラスターのグラフェン上担持構造および鈴木・宮浦クロスカップリングの数値的研究, 濱本雄治,平川皓朗,浦元優太,武田篤哉,三村大輔,池田隆司,柳澤将,Jess Wellendorf,Felix Studt,Fahdzi Muttaqien,木崎栄年,稲垣耕司,Thomas Bligaard,森川良忠, 2015/03
  • 第一原理シミュレーションによる活性サイトの構造・機能の解明とデザイン, 森川 良忠,赤木和人,稲垣耕司,小野倫也,木﨑栄年,濵本雄治, 2015/03
  • 不均一触媒反応のシミュレーション, 森川 良忠, 2015/03
  • 固体表面での触媒反応の第一原理シミュレ ーション, 森川 良忠, 2015/03
  • Cu(111)面におけるギ酸分解反応の第一原理計算, 鳥井 史郎,Fahdzi Muttaqien,濱本 雄治,木崎 栄年,稲垣 耕司,森川 良忠, 2015/03
  • 第一原理Metadynamics法を用いたフッ酸/Si(111)界面でのHFの解離吸着反応の経路探索, 金森仁美,森川良忠,稲垣耕司,木﨑英年,濱本雄治, 2015/03
  • 21aAE-7 First-principles study on hydrolysis of SiO_2 at Pt/SiO_2 interface, Kidani N.,Bui P. V.,Isohashi A.,Inagaki K.,Kizaki H.,Yamauchi K.,Morikawa Y., Meeting Abstracts of the Physical Society of Japan, The Physical Society of Japan (JPS), Vol. 70, p. 2511-2511, 2015
  • 21pPSB-38 Theoretical analysis of the reactivity of Pd clusters for ligand-free Suzuki-Miyaura Cross Coupling, Uramoto Y.,Hirakawa T.,Takeda A.,Mimura D.,Ikeda T.,Yanagisawa S.,Hamamoto Y.,Kizaki H.,Inagaki K.,Morikawa Y., Meeting Abstracts of the Physical Society of Japan, The Physical Society of Japan (JPS), Vol. 70, p. 2564-2564, 2015
  • リガンドフリーな水溶媒中の鈴木反応の酸化的付加段階の反応性の解析, 平川皓朗,浦元優太,池田隆司,柳澤将,稲垣耕司,森川良忠, 2015/01
  • Electronic structure of the 4 x 4 silicene monolayer on semi-infinite Ag(111), H. Ishida,Y. Hamamoto,Y. Morikawa,E. Minamitani,R. Arafune,N. Takagi, NEW JOURNAL OF PHYSICS, IOP PUBLISHING LTD, Vol. 17, 2015/01
  • First-Principles Molecular Dynamics of Water Dissociation and Adsorption of Hydroxyl Groups in Water-Bilayer on Pt(322) Stepped Surface, H. Kizaki,Ikutaro Hamada,Yoshitada Morikawa, 2014/11
  • 第一原理シミュレーションと統計力学手法を組み合わせた触媒反応解析, 森川良忠, 2014/11
  • 固体表面反応の第一原理シミュレーション, 森川良忠, 2014/11
  • Dissociative Adsorption of CO2 on Copper Surfaces, Fahdzi Muttaqien,Yuji Hamamoto,Kouji Inagaki,Yoshitada Morikawa, 2014/11
  • First principles simulation for oxidative addition reactions of Suzuki-Miyaura Cross Coupling in aqueous solution with fully atomic solvent model, Teruo Hirakawa,Yuta Uramoto,Atsuya Takeda,Daisuke Mimura,Takashi Ikeda,Susumu Yanagisawa,Kouji Inagaki,Yoshitada Morikawa, 2014/11
  • First-principles Investigation of Self-regenerating Mechanism of LaFe1-xPdxO3, Yoshitada Morikawa,Hidetoshi Kizaki,Susumu Yanagisawa,Ikutaro Hamada,Kouji Inagaki,Z.-X. Tia, 2014/11
  • Layered Structures of Ionic Liquid at Ionic Liquid / Solid Interfaces revealed by Molecular Dynamics Simulation, Y. Yokota,H. Miyamoto,A. Imanishi,K. Inagaki,Y. Morikawa,K. Fukui, 2014/11
  • Dissociative Adsorption of CO2 on Copper Surfaces, F. Muttaqien,Y. Hamada,K. Inagaki,Y. Morikawa, 2014/11
  • Oxidative addition Reactions of Suzuki-Miyaura Cross Coupling with Ligand-free Pd in aqueous solution, T. Hirakawa,Y. Uramoto,A. Takeda,D. Mimura,T. Ikeda,S. Yanagisawa,K. Inagaki,Y. Morikawa, 2014/11
  • First-principlesSimulations of an H2O Dissociation and Hydroxyl Adsorption in water-bilayer on Pt(322) surface, H. Kizaki,I. Hamada,Y. Morikawa, 2014/11
  • Layered Structures of Ionic Liquid at Ionic Liquid / Solid Interfaces revealed by Molecular Dynamics Simulation, Y. Yokota,H. Miyamoto,A. Imanishi,K. Inagaki,Y. Morikawa,K. Fukui, 2014/11
  • 電子状態計算によるリガンドフリーの鈴木—宮浦クロスカップリングの律速段階, 平川皓朗,浦元雄太,武田篤哉,三村大輔,池田隆司,柳澤将,稲垣浩司,森川良忠, 2014/09
  • メタダイナミクス法による鈴木—宮浦クロスカップリング反応の解析, 平川皓朗,三村大輔,武田篤哉,稲垣浩司,柳澤将,池田隆司,森川良忠, 2014/09
  • 第一原理シミュレーションによる固体表面および溶液中の反応シミュレーション, 森川良忠, 2014/09
  • 第一原理計算によるキラル有機分子材料の電子的・光学的性質の解明, 畑田真之介,柳澤将,桑原裕司,森川良忠, 2014/09
  • 水溶液中での鈴木—宮浦クロスカップリング反応の律速段階の解明, 平川皓朗,浦元雄太,武田篤哉,三村大輔,池田大輔,柳澤将,稲垣浩司,森川良忠, 2014/09
  • 第一原理Metadynamics法を用いたフッ酸/Si(111)界面でのHFの解離吸着, 金森仁美,平川皓朗,杉山将啓,稲垣浩司,木﨑栄年,森川良忠, 2014/09
  • Cu(111)面におけるHCOOH分解の第一原理計算, 鳥井史郎,Fahdzi Muttaqien,濱本雄治,稲垣浩司,森川良忠, 2014/09
  • クラスター展開法を利用した自動車触媒LaFe1-xPdxO3に関する理論的研究, 西谷卓也,田之雪,木﨑栄年,稲垣耕司,森川良忠, 2014/09
  • OH adsorptions and water dissociation in water-bilayer on Pt(322) stepped surface: Ab-initio simulations, H. Kizaki,Kouji Inagaki,Ikutaro Hamada,Yoshitada Morikawa, 2014/08
  • Removal Mechanism in Catalyst-Referred Etching Process for SiC Planarization, P. V. Bui,K. Inagaki,Y. Sano,K. Yamauchi,Y. Morikawa, 15th International Conference on Precision Engineering (ICPE2014), Abstracts, pp. 50, P05, p. 50-50, 2014/07
  • Investigation on the optical properties of chiral organic molecular, Shinnosuke Hatada,Susumu Yanagisawa,Yuji Kuwahara and, 2014/06
  • "Analyzing mechanism of oxidative addition in Suzuki-Miyaura, Teruo Hirakawa,Daisuke Mimura,Atsuya Takeda,Susumu, 2014/06
  • Dissociative adsorption of CO2 on copper surfaces, Fahdzi Muttaqien,Yuji Hamamoto,Kouji Inagaki,Yoshitada, 2014/06
  • Search for a Self-Regenerating Perovskite Catalyst with Ab Initio Thermodynamics II: Cu-Doped Layered Perovskites with K2NiF4 Structure, Susumu Yanagisawa,Atsuya Takeda,Kouji Inagaki,Ikutaro Hamada,Yoshitada Morikawa, CATALYSIS LETTERS, SPRINGER, Vol. 144, No. 4, p. 736-743, 2014/04
  • Theoretical investigation of the band structure of picene single crystals within the GW approximation, Susumu Yanagisawa,Yoshitada Morikawa,Arno Schindlmayr, JAPANESE JOURNAL OF APPLIED PHYSICS, IOP PUBLISHING LTD, Vol. 53, No. 5, 2014/04
  • 単層グラフェンに担持したPtクラスターに対するvan der Waals 相互作用の影響, 濱本雄治,Fahdzi Muttaqien,稲垣耕司,森川良忠, 2014/03
  • 溶媒分子を含んだ鈴木・宮浦クロスカップリングの反応機構の検討, 平川皓朗,三村大輔,稲垣耕司,森川良忠,池田隆司, 2014/03
  • キラル有機分子の光学的・電子的性質の理論的研究, 畑田真之介,柳澤将,森川良忠, 2014/03
  • LaFe1-xPDxO3ペロブスカイト触媒の自己再生機構に関する理論的研究, 西谷卓也,田之雪,木﨑栄年,稲垣耕司,森川良忠, 2014/03
  • 酸化物表面における化学反応の第一原理シミュレーション, 森川良忠, 2014/03
  • Cooperative H2 activation at Ag cluster/θ-Al 2O3(110) dual perimeter sites: A density functional theory study, Pussana Hirunsit,Ken-Ichi Shimizu,Ryoichi Fukuda,Supawadee Namuangruk,Yoshitada Morikawa,Masahiro Ehara, Journal of Physical Chemistry C, American Chemical Society, Vol. 118, No. 15, p. 7996-8006, 2014/03
  • Dissociative adsorption of CO2 on flat, stepped, and kinked Cu surfaces, Fahdzi Muttaqien,Yuji Hamamoto,Kouji Inagaki,Yoshitada Morikawa, JOURNAL OF CHEMICAL PHYSICS, AMER INST PHYSICS, Vol. 141, No. 3, 2014/03
  • 自動車排ガス触媒における自己再生機構の解明, 森川良忠, 2014/02
  • First-principles Investigation of Self-regeneration Mechanism in Three-way Catalysts, Yoshitada Morikawa,Hidetoshi Kizaki,Susumu Yanagisawa,Ikutaro Hamada,Kouji Inagaki,Z.-X. Tian, 2014/02
  • Investigation of the Barrier Heights for Dissociative Adsorption of HF on SiC Surfaces in the Catalyst-Referred Etching Process, P. V. Bui,K. Inagaki,Y. Sano,K. Yamauchi,Y. Morikawa, Materials Science Forum, TRANS TECH PUBLICATIONS LTD, Vol. 778-780, p. 726-729, 2014/02
  • "First-principles Investigation of Self-regenerating Mechanism of LaFe1-xPdxO3, Yoshitada Morikawa, 2014/01
  • Enhancement of photoluminescence efficiency from GaN(0001) by surface treatments, A. N. Hattori,K. Hattori,Y. Morikawa,A. Yamamoto,S. Sadakuni,J. Murata,K. Arima,Y. Sano,K. Yamauchi,H. Daimon,K. Endo, Japanese Journal of Applied Physics, Vol. 53, No. 2, 2014/01
  • First-principles Calculation of Suzuki-Miyaura Cross Coupling Reaction by Palladium Catalyst, D. Mimura,Atuya Takeda,Susumu Yanagisawa,Kouji Inagaki, 2013/12
  • Adsorption states of NO molecule on stepped and kinked Pt(111) surfaces studied by DFT simulation, S. Makihara,Daisuke Mimura,Kouji Inagaki,Yoshitada Morikawa, 2013/12
  • "First-principles simulations of chemical reactions at interfaces, Yoshitada Morikawa,Z.-X. Tian,Hidetoshi Kizaki,Kouji Inagaki, 2013/12
  • 有機分子のCDスペクトルの計算:予備的結果, 森川良忠, 2013/11
  • 界面反応の第一原理シミュレーション, 森川良忠, 2013/11
  • "固体表面への分子吸着・反応過程に関する第一原理シミュレー, 森川良忠, 2013/11
  • Intermolecular Interaction as the Origin of Red Shifts in Absorption Spectra of Zinc-Phthalocyanine from First-Principles, S. Yanagisawa,T. Yasuda,K. Inagaki,Y. Morikawa,K. Manseki,S. Yanagida, J. Phys. Chem. A, American Chemical Society, Vol. 117, No. 44, p. 11246-11253, 2013/11
  • "First-principles Study on the Self-regenerating Mechanism of, Yoshitada Morikawa,Z.-x. Tian,Hidetoshi Kizaki,Kouji Inagaki, 2013/09
  • First-principles Study on the Self-regenerating Mechanism of LaFe1-XPdXO3 Catalyst, Yoshitada Morikawa,Zhixue Tian,H. Kizaki,Kouji Inagaki,Susumu Yanagisawa,Ikutaro Hamada, 2013/09
  • HOMO band dispersion of crystalline rubrene: Effects of self-energy corrections within the GW approximation, S. Yanagisawa,Y. Morikawa,A. Schindlmayr, Phys. Rev. B, American Physical Society, Vol. 88, No. 11, p. 1-7, 2013/09
  • Self-interaction corrected density functional approach, T. Nishitani,H. Kizaki,Y. Morikawa, 2013/08
  • Structural Analysis of Carbon-Added Na-Ga Melts in Na Flux GaN Growth by First-Principles Calculation, Kawamura Takahiro,Imabayashi Hiroki,Yamada Yuji,Maruyama Mihoko,Imade Mamoru,Yoshimura Masashi,Mori Yusuke,Morikawa Yoshitada, JAPANESE JOURNAL OF APPLIED PHYSICS, IOP Publishing, Vol. 52, No. 8, p. 08JA04-08JA04, 2013/08
  • "First-principles Investigation of Chemical Reactions at, Yoshitada Morikawa, 2013/07
  • First-Principles Investigation of Chemical Reactions at Surfaces and Interfaces, Yoshitada Morikawa, 2013/06
  • "Electronic Structure Calculations of Organic Materials using GW, Yoshitada Morikawa,Susumu Yanagisawa, 2013/05
  • First-principles theoretical study of hydrolysis of stepped and kinked Ga-terminated GaN surfaces, M. Oue,K. Inagaki,K. Yamauchi,Y. Morikawa, Nanoscale Research Letters, SPRINGER, Vol. 8, 2013/05
  • First-principles investigation on the segregation of Pd at LaFe1-xPdxO3-y surfaces, Z.-X. Tian,A. Uozumi,I. Hamada,S. Yanagisawa,H. Kizaki,K. Inagaki,Y. Morikawa, Nanoscale Research Letters, Vol. 8, p. 203-209, 2013/05
  • Understanding the Metal-Molecule Interface from First Principles, Leeor Kronik,Yoshitada Morikawa, The Molecule-Metal Interface, Wiley-VCH, p. 51-89, 2013/03/28
  • First-principles analysis of silicon surface etching process by hydrogen radical, Inagaki Kouji,Morikawa Yoshitada,Yasutake Kiyoshi, Proceedings of JSPE Semestrial Meeting, The Japan Society for Precision Engineering, Vol. 2013, p. 555-556, 2013
  • First-Principles Study on Carbon Emission Process at 4H-SiC(0001) Surfaces and 4H-SiC(0001)/SiO2 Interfaces, Shoichiro Saito,Yoshitada Morikawa,Tomoya Ono, 2013/01
  • Search for a Self-Regenerating Perovskite Catalyst Using ab initio Thermodynamics Calculations, S. Yanagisawa,A. Uozumi,I. Hamada,Y. Morikawa, J. Phys. Chem. C, AMER CHEMICAL SOC, Vol. 117, No. 3, p. 1278-1286, 2013/01
  • Adsorption states of NO molecular on stepped and kinked Pt(111) surfaces studied by DFT simulations, Satoshi Makihara,Daisuke Mimura,Kouji Inagaki,Yoshitada Morikawa, 2012/12
  • First-principles Analysis of the Initial Stage of the Chemical Etching Process of GaN, Mari Oue,Kouji Inagaki,Kazuto Yamauchi,Yoshitada Morikawa, 2012/12
  • First-principles Analysis of Etching Rate of Si by Hydrogen Radical, K. Inagaki,Y. Morikawa,K. Yasutake, 2012/12
  • Carbon Emission Process at 4H-SiC(0001) Surfaces and 4H-SiC(0001)/SiO2 Interfaces: A First-Principles Study, Shoichiro Saito,Yoshitada Morikawa,Tomoya Ono, 2012/12
  • Density functional theory on the comparison of the Pd segregation behavior at LaO- and FeO2-terminated surfaces of LaFe1-xPdxO3-y, Z.-X. Tian,K. Inagaki,Y. Morikawa, Current Appl. Phys., ELSEVIER SCIENCE BV, PO, Vol. 12, No. 3, p. S105-S109, 2012/12
  • Adsorption of hydrogen fluoride on SiC surfaces: A density functional theory study, Pho Van Bui,K. Inagaki,Y. Sano,K. Yamauchi,Y. Morikawa, Current Appl. Phys., ELSEVIER SCIENCE BV, PO, Vol. 12, p. S42-S46, 2012/12
  • First-principles theoretical study of organic/metal interfaces: Vacuum level shifts and interface dipoles, Y. Morikawa,K. Toyoda,I. Hamada,S. Yanagisawa,K.-H. Lee, Current Appl. Phys., ELSEVIER SCIENCE BV, PO, Vol. 12, p. S2-S9, 2012/12
  • 第一原理熱力学計算による触媒反応解析, 森川良忠, 2012/11
  • 固体表面の触媒反応の原理を考える, 森川良忠, 2012/11
  • First-Principles Study on Carbon Removal Process at 4H-SiC(0001) Surface and 4H-SiC(0001)/SiO2 Interfaces, Shoichiro Saito,Shinsuke Sato,Yoshitada Morikawa,Tomoya Ono, 2012/11
  • 水/Pt電極界面における電気化学反応シミュレーション, 森川良忠, 電気化学会, Vol. 80, p. 932-937, 2012/11
  • First-Principles Study of Reaction Process of SiC and HF Molecules in Catalyst-Referred Etching, Pho Van Bui,Kouji Inagaki,Yasuhisa Sano,Kazuto Yamauchi,Yoshitada Morikawa, EMERGING TECHNOLOGY IN PRECISION ENGINEERING XIV, TRANSACTION PUBLISHERS, Vol. 523-524, p. 173-177, 2012/11
  • First-Principles Analysis of CARE Process of GaN -Initial Stage of Etching Process-, M. Oue,K. Inagaki,K. Yamauchi,Y. Morikawa, 2012/10
  • Fifth International Symposium on Atomically Controlled Fabrication Technology, D. Mimura,A. Takeda,S. Yanagisawa,K. Inagaki,Y. Morikawa,T. Ikeda, 2012/10
  • Dynamics of NO Molecular Adsorption at Stepped and Kinked Sites on the Pt(111) Surface, S. Makihara,D. Mimura,K. Inagaki,Y. Morikawa, 2012/10
  • First-Principles Simulations of Catalyst Assisted Wet-etching Processes at Semiconductor Surfaces, K. Inagaki,M. Oue,B.V. Pho,D. Hirose,K. Yamauchi,Y. Morikawa, 2012/10
  • First-Principles Study of Platinum Catalyst-Assisted Hydrogen Fluoride Adsorption on SiC Surfaces, B.V. Pho,K. Inagaki,Y. Sano,K. Yamauchi,Y. Morikawa, 2012/10
  • First-Principles Study on Oxidation Process of SiC(0001) Surfaces and SiC(0001)/SiO2 Interfaces, Shoichiro Saito,Shinsuke Sato,Yoshitada Morikawa,Tomoya Ono, 2012/10
  • First-principles study on C removal from 4H-SiC(0001) surfaces and 4H-SiC(0001)/SiO2 interfaces, Shoichiro Saito,Shinsuke Sato,Yoshitada Morikawa,Tomoya Ono, 2012/10
  • First-Principles Analysis of CARE Process of SiC, D. Hirose,K. Inagaki,Y. Morikawa, 2012/10
  • Local electronic properties at organic-metal interfaces: thiophene derivatives on Pt(111), H. Sato,S. Ushiyama,M. Sogo,M. Aoki,K. Shudo,T. Sugawara,S. Yanagisawa,Y. Morikawa,S. Masuda, Phys. Chem. Chem. Phys, ROYAL SOC CHEMISTRY, Vol. 14, No. 44, p. 15412-15420, 2012/10
  • パラジウム触媒による鈴木−宮浦クロスカップリング反応の第一原理分子動力学シミュレーション, 三村大輔,武田篤哉,柳澤将,稲垣耕司,森川良忠,池田隆司, 2012/09
  • DFT investigation on Pd segregation behavior at LaO- and FeO2-terminated surfaces of LaFe1-xPdxO3-y, TIAN, Zhixue,INAGAKI,Kouji,MORIKAWA, Yoshitada, 2012/09
  • パラジウム触媒による鈴木・宮浦クロスカップリング反応の第一原理分子動力学シミュレーション, 三村大輔,武田篤哉,柳澤将,稲垣耕司,森川良忠,池田隆司, 2012/09
  • Pt(111)表面上のステップ及びキンクサイトにおけるNO分子吸着のダイナミクス, 牧原聡,三村大輔,稲垣耕司,森川良忠, 2012/09
  • 第一原理計算によるGaN表面エッチング現象初期過程の解明, 大上まり,稲垣耕司,山内和人,森川良忠, 2012/09
  • The charged interface between Pt and water: First principles molecular dynamics simulations, T. Ikeshoji,M. Otani,I. Hamada,O. Sugino,Y. Morikawa,Y. Okamoto,Y. Qian,I. Yagi, AIP Advances, American Chemical Society, Vol. 2, No. 3, 2012/09
  • Simulation in Powder Technology, 4. First-principles Simulations on Adsorption of Molecules at Solid Surfaces, Yoshitada Morikawa, Journal of Powder Technology of Japan, 2012/07
  • Comment on "observation of anomalous peaks in the photoelectron spectra of highly oriented pyrolytic graphite: Folding of the band due to the surface charge density wave transition", Ikutaro Hamada,Yoshitada Morikawa, Physical Review B - Condensed Matter and Materials Physics, Vol. 85, No. 23, 2012/06
  • Chemisorption-induced gap states at organic-metal interfaces: benzenethiol and benzeneselenol on metal surfaces, M. Aoki,T. Kamada,K. Sasaki,S. Masuda,Y. Morikawa, Physical Chemistry Chemical Physics, ROYAL SOC CHEMISTRY, Vol. 14, No. 12, p. 4101-4108, 2012/06
  • 第一原理計算によるSi(111)表面上N原子及びO原子吸着III, 服部賢,稲葉雄一,安居麻美,大門寛,柳澤将,森川良忠, 2012/03
  • 第一原理計算によるHF水溶液のアニーリング, 弘瀬大地,稲垣耕司,森川良忠, 2012/03
  • 第一原理計算によるNaフラックスGaN結晶成長におけるCドーピング効果の解析, 河村貴宏,今林弘毅,丸山美帆子,今出完,吉村政志,森 勇介,森川良忠, 2012/03
  • ナノチューブ/金界面での電子準位接続の制御によるnチャンネルの発現: 第一原理的研究, 西郷登洋,柳澤将,森川良忠, 2012/03
  • Pt触媒を用いた水分子によるGaN表面エッチング現象初期過程の第一原理計算による解明, 大上まり,稲垣耕司,山内和人,森川良忠, 2012/03
  • HラジカルによるSi表面プラズマエッチングにおける表面H拡散の役割, 稲垣耕司,森川良忠,安武 潔, 2012/03
  • 純水を用いた触媒表面基準エッチング法における加工原理の検討, 礒橋 藍,佐野 泰久,大上 まり,八木 圭太,定國 峻,森川 良忠,山内 和人, 精密工学会学術講演会講演論文集, 公益社団法人 精密工学会, Vol. 2012, p. 429-430, 2012
  • First-principles Analysis of Dissociative Absorption of HF Molecule at SiC Surface Step Edge, Kouji Inagaki,Bui Van Pho,Kazuto Yamauchi,Yoshitada Morikawa, SILICON CARBIDE AND RELATED MATERIALS 2011, PTS 1 AND 2, TRANS TECH PUBLICATIONS LTD, Vol. 717-720, p. 581-584, 2012
  • 界面反応の第一原理シミュレーション, 森川良忠, 2011/11
  • Role of the can der Waals interaction at organic/metal interfaces: energetics, adsorption geometry, and energy level alignment, S. Yanagisawa,T. Saigo,Y. Morikawa, 2011/11
  • A Density Functional Theory Study of Self-Regenerating Catalysts LaFe1-xMxO3-y (M = Pd, Rh, Pt), Ikutaro Hamada,Akifumi Uozumi,Yoshitada Morikawa,Akira Yanase,Hiroshi Katayama-Yoshida, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, AMER CHEMICAL SOC, Vol. 133, No. 46, p. 18506-18509, 2011/11
  • First-principles analysis on Si(001) etching by hydrogen radicals, K. Inagaki,K. Hirose,Y. Morikawa,K. Yasutake, Ext. Abst. 4th Int. Symp. on Atomically Controlled Fabrication Technology, 2011/10
  • HラジカルによるSi表面エッチング過程の解析-飛来Hラジカル表面吸着確率の既吸着H原子数依存, 稲垣耕司,広瀬喜久治,森川良忠,安武潔, 2011/09
  • 第一原理計算によるSi(111)表面上N原子及びO原子吸着II, 服部賢,稲葉雄一,安居麻美,大門寛,柳澤将,森川良忠, 2011/09
  • カーボンアロイ触媒によるCO酸化反応の 第一原理シミュレーション, 井関 信太郎,稲垣 耕司,森川 良忠, 2011/09
  • 第一原理分子動力学法によるレドックス活性種の酸化還元電位評価, 兼田有希央,横田泰之,森川良忠,福井賢一, 2011/09
  • チオフェン誘導体-Pt(111)接合系における化学吸着誘起準位, 佐藤博史,青木優,牛山 翔太,菅原正,増田茂,首藤健一,柳澤将,森川良忠, 2011/09
  • 第一原理計算による触媒研究の動向, 森川良忠, 2011/09
  • First-Principles Molecular-Dynamics Analysis of Reaction Process Between SiC Surface and HF Molecule, Kouji Inagaki,Bui Van Pho,Kazuto Yamauchi,Yoshitada Morikawa, 2011/09
  • 第一原理計算によるGaN表面エッチング現象の解明-表面終端構造とエッチング初期過程の解析, 大上まり,稲垣耕司,山内和人,森川良忠, 2011/08
  • 第一原理シミュレーションによる界面での反応過程の研究, 森川良忠, 2011/06
  • Adsorption of Alq3 on Mg(001) surface: Role of chemical bonding, molecular distortion, and van derWaals interaction, S. Yanagisawa,I. Hamada,K.H. Lee,D. C. Langreth,Y. Morikawa, Phys. Rev. B, Vol. 83, No. 23, 2011/06
  • A density-functional theory study of water on clean and hydrogen preadsorbed Rh(111) surfaces, I. Hamada,Y. Morikawa, J. Chem. Phys, AMER INST PHYSICS, Vol. 134, No. 15, 2011/04
  • Adsorption of Benzene on Noble Metal Surfaces Studied by Density Functional Theory with van der Waals Correction, K. Toyoda,I. Hamada,S. Yanagisawa,Y. Morikawa, J. Nanoscience and Nanotech, AMER SCIENTIFIC PUBLISHERS, Vol. 11, No. 4, p. 2836-2843, 2011/04
  • Density Functional Theoretical Study of Perfluoropentacene/Noble Metal Interfaces with van der Waals Corrections: Adsorption States and Vacuum Level Shifts, K. Toyoda,I. Hamada,K.-H. Lee,S. Yanagisawa,Y. Morikawa, J. Phys. Chem. C, AMER CHEMICAL SOC, Vol. 115, No. 13, p. 5767-5772, 2011/04
  • TiO2(110)表面の酸素欠陥による構造歪み・電子構造に関する第一原理的研究, 柳澤将,森村英幸,森川良忠, 2011/03
  • カーボンアロイ触媒によるCO酸化反応の第一原理シミュレーション, 井関信太郎,稲垣耕司,森川良忠, 2011/03
  • HによるSi表面エッチングにおけるH終端Si(001)表面上でのH拡散の寄与, 稲垣耕司,広瀬喜久治,森川良忠,安武潔, 2011/03
  • 第一原理計算によるGaN(0001)表面の終端原子構造の解析, 大上まり,稲垣耕司,森川良忠, 2011/03
  • カーボンナノチューブ/金界面における電子準位接続の制御: 第一原理的研究, 西郷登洋,柳澤 将,森川良忠, 2011/03
  • 触媒基準エッチング法による4H-SiCの平坦化における加工速度の検討, 橘 一真,佐野 泰久,岡本 武志,礒橋 藍,有馬 健太,稲垣 耕司,八木 圭太,定國 峻,森川 良忠,山内 和人, 精密工学会学術講演会講演論文集, 公益社団法人 精密工学会, Vol. 2011, p. 457-458, 2011
  • 有機/金属界面の電子状態の第一原理計算による研究, 森川良忠,柳澤将, 表面科学, Vol. 32(1), p. 9-14, 2011/01
  • Density-functional theoretical study of fluorination effect on organic/metal interfaces, K. Toyoda,I. Hamada,S. Yanagisawa,Y. Morikawa, Organic Electronics, ELSEVIER SCIENCE BV, Vol. 12, No. 2, p. 295-299, 2011/01
  • 界面における化学反応過程の第一原理シミュレーション, 森川良忠, 2010/11
  • Theoretical Study of Electronic Properties at Organic/Metal Interfaces: Interface Dipole and Nature of Organic-metal Interaction, S. Yanagisawa,T. Saigo,K. Toyoda,I,Hamada K. Lee,Y. Morikawa, 2010/11
  • First-Principles Study of CO Oxidation on Carbon Alloy Catalysts, S. Iseki,K. Inagaki,Y. Morikawa, 2010/11
  • Ab Initio Simulation of Suzuki-Miyaura Cross Coupling with Pd-intelligent Catalyst, A. Takeda,S,Yanagisawa,T. Ikeda,Y. Morikawa, 2010/11
  • Atomic Geometries and Electronic Properties of Nanotube/metal Interfaces Studied by Density Functional Theory with Van Der Waals Correction, T. Saigo,S. Yanagisawa,Y. Morikawa, 2010/11
  • Theoretical Investigation of Phthalocyanine Dimer, T. Yasuda,S. Yanagisawa,Y. Morikawa,K. Manseki,S. Yanagida, 2010/11
  • First-principles Analysis Silicon Etching by Hydrogen Radical-Diffusion of Absorbed Hydrogen Atom on Si(001) 2x1 Surface-, K. Inagaki,K. Hirose,Y. Morikawa,K. Yasutake, 2010/11
  • 第一原理シミュレーションによるインテリジェント触媒の自己再生機構の解明, 森川良忠, 2010/10
  • Adsorption of n-butane on Cu(100), Cu(111), Au(111) and Pt(111): Van der Waals density-functional study, K. Lee,Y. Morikawa,D. C. Langreth, Phys. Rev. B, APS, Vol. 82, No. 15, 2010/10
  • ファンデルワールス補正を入れた密度汎関数法によるナノチューブ/金属電極界面の構造と電子状態の研究, 西郷登洋,柳澤将,森川良忠, 2010/09
  • TiO2(110)表面の欠陥構造に関するGW近似による研究, 柳澤将,森川良忠, 2010/09
  • パラジウム-インテリジェント触媒を用いた鈴木・宮浦カップリング反応の第一原理シミュレーション, 武田篤哉,柳澤将,池田隆司,森川良忠, 2010/09
  • カーボンアロイ触媒によるCO酸化反応の第一原理シミュレーション, 井関信太郎,稲垣耕司,森川良忠, 2010/09
  • 第一原理シミュレーションによる有機/金属界面の界面電気二重層の解明と制御, 森川良忠, 2010/09
  • Interaction of water with a metal surface: Importance of van der Waals forces, Ikutaro Hamada,Kyuho Lee,Yoshitada Morikawa, PHYSICAL REVIEW B, AMER PHYSICAL SOC, Vol. 81, No. 11, 2010/09
  • 有機半導体界面の電子状態:計算科学で分かること, 森川良忠, 2010/08
  • Density functional simulations of hydrogen evolution reaction at the metal/water interface, Y. Morikawa, 2010/07
  • Chemisorption-induced gap state at organic-metal interface: Benzenethiol on Pt(111), S. Masuda,T. Kamada,K. Sasaki,M. Aoki,Y. Morikawa, Phys. Chem. Chem. Phys, ROYAL SOC CHEMISTRY, Vol. 12, No. 36, p. 10914-10918, 2010/07
  • Spin- and Energy-Dependent Tunneling through a Single Molecule with Intramolecular Spatial Resolution, J. Brede,N. Atodiresei,S. Kuck,P. Lazic,V. Caciuc,Y. Morikawa,G. Hoffmann,S. Blugel,R. Wiesendanger, Phys. Rev. Lett.,, APS, Vol. 105, No. 4, 2010/07
  • First-Principles study of electron transfer from 4H-SiC(0001) to Pt, Shintaro Iseki,Kouji Inagaki,Kazuto Yamauchi,Yoshitada Morikawa, 2010/05
  • Theoretical Investigation of Phthalocyanine Dimers, Taiga Yasuda,Susumu Yanagisawa,Kazuhiro Manseki,Shozo Yanagida,Yoshitada Morikawa, 2010/05
  • Significant role of the van der Waals interaction in a chemisorption state: Alq3 on metal surfaces, Susumu Yanagisawa,Ikutaro Hamada,Kyuho Lee,Yoshitada Morikawa, 2010/05
  • First-principles Simulations of Nano-scale Processes at Surfaces and Interfaces, Yoshitada Morikawa, 2010/05
  • A novel mechanism for spectator CO-mediated reaction with unique cis-(NO)2 dimer on a Co2+-dimer/γ-Al2O3(110) model catalyst: Density functional theory calculations, T. Taniike,M. Tada,R. Coquet,Y. Morikawa,T. Sasaki,Y. Iwasawa, Catal. Today, ELSEVIER SCIENCE BV, Vol. 154, No. 1-2, p. 118-126, 2010/04
  • State-selective dissociation of a single water molecule on an ultrathin MgO film, H.-J. Shin,J. Jung,K. Motobayashi,S. Yanagisawa,Y. Morikawa,Y. Kim,M. Kawai, Nature Materials, Vol. 9, No. 5, p. 442-447, 2010/04
  • 界面におけるナノスケールプロセスの第一原理シミュレーション, 森川良忠, 2010/03
  • 量子シミュレーションの今後の展望, 森川良忠, 2010/03
  • C60 adsorbed on platinum surface: An excellent mediator of metal wave function, M. Sogo,Y. Sakamoto,M. Aoki,S. Masuda,S. Yanagisawa,Y. Morikawa, J. Phys. Chem. C, 2010/03
  • First-principles theoretical study of benzene/metal and pentacene/metal interfaces, Y. Morikawa,K. Toyoda,I. Hamada,S. Yanagisawa, 2010/01
  • Structures of Pt clusters on graphene by first-principles calculations, K. Okazaki-Maeda,Y. Morikawa,S. Tanaka,M. Kohyama, SURFACE SCIENCE, ELSEVIER SCIENCE BV, Vol. 604, No. 2, p. 144-154, 2010/01
  • A special issue on advances in quantum simulators and quantum design, Hisazumi Akai,Wilson Agerico Diño,Koichi Kusakabe,Tsuyoshi Miyazaki,Yoshitada Morikawa,Susumu Okada,Tomoya Ono, Journal of Computational and Theoretical Nanoscience, Vol. 6, No. 12, p. 2447-2450, 2009/12
  • 電極界面におけるナノスケールプロセスの第一原理シミュレーション, 森川良忠, 2009/09
  • Theoretical study of benzene on noble metal surfaces: Adsorption states and vacuum level shifts, K. Toyoda,Y. Nakano,I. Hamada,K.H. Lee,S. Yanagisawa,Y. Morikawa, Surf. Sci., 2009/09
  • Theoretical Study of Benzene on Noble Metal Surfaces: Adsorption States and Vacuum Level Shifts, K. Toyoda,Y. Nakano,I. Hamada,K.H. Lee,S. Yanagisawa,Y. Morikawa, Surf. Sci., 2009/09
  • The relationship between formate adsorption energy and electronic properties: A first principles density functional theory study, Hongyan Ma,Guichang Wang,Yoshitada Morikawa,Junji Nakamura, Science in China, Series B: Chemistry, Vol. 52, No. 9, p. 1427-1433, 2009/09
  • 燃料電池の電極反応シミュレーション, 森川良忠, 2009/05
  • [特集]電極界面のナノ領域シミュレーションの最先端 2.Pt電極界面での水素吸着状態: 電場, 溶媒, 被覆率の影響, 森川良忠,濱田幾太郎, 社団法人 電気化学会誌 Electrochemistry, 2009/03
  • 特集]電極界面のナノ領域シミュレーションの最先端 1. 第一原理シミュレーションから見た電極界面と電界同反応―燃料電池・水電解の水素極を対象として, 池庄司民夫,杉野修,森川良忠,大谷実,濱田幾太郎,岡本穏治, 社団法人 電気化学会誌 Electrochemistry, 2009/03
  • 界面におけるナノスケールプロセスの第一原理シミュレーション, 森川良忠, 2009/02
  • Simulation of Initial Growth Process of Pt Clusters on Carbon Materials - First-Principles calculations, K. Okazaki-Maeda,S. Yamakawa,Y. Morikawa,S. Hyodo,T. Akita,Y. Maeda,S. Tanaka,M. Kohyama, 2008 MRS Fall Meeting Abstract, 2008/12
  • 界面の第一原理分子動力学シミュレーション, 濱田幾太郎,森川良忠, 分子シミュレーション研究会会誌 アンサンブル, 2008/10
  • First-principles Analysis of Core Level Shifts, Yoshitada Morikawa, Journal of The Surface Science Society of Japan, 日本表面科学会, Vol. 29, No. 6, p. 382-384, 2008/06
  • Theoretical study of vacuum level shift at the C6H6/Al(111) interface, Yosuke Nakano,Susumu Yanagisawa,Ikutaro Hamada,Yoshitada Morikawa, Surf. Interface Anal., Wiley, Vol. 40, No. 6-7, p. 1059-1062, 2008/06
  • Role of molecular orbitals near the Fermi level in the excitation of vibrational modes of a single molecule at the STM junction, M. Ohara,Y. Kim,S. Yanagisawa,Y. Morikawa,M. Kawai, Physical Review Letters, American Physical Society, 2008/04
  • Effects of supports on hydrogen adsorption on pt clusters, K. Okazaki-Maeda,Y. Morikawa,S. Tanaka,M. Kohyama, Solid State Phenomena, Trans Tech Publications Ltd, Vol. 139, p. 41-46, 2008/04
  • Simulation of growth process of Pt-particles - First-principles calculations, K. Okazaki-Maeda,S. Yamakawa,Y. Morikawa,T. Akita,S. Tanaka,S. Hyodo,M. Kohyama, Journal of Physics: Conference Series, Institute of Physics Publishing, Vol. 100, No. 7, 2008/03/01
  • Simulation of growth process of Pt-particle, K. Okazaki-Maeda,S. Yamakawa,Y. Morikwa,T. Akita,S. Tanaka,S. Hyodo,M. Kohyama, Journal of Physics: Conference Series, 2008/01
  • Effects of supports on hydrogen adsorption on Pt clusters, K. Okazaki-Maeda,Y. Morikawa,S. Tanaka,M. Kohyama, THEORY, MODELING AND NUMERICAL SIMULATION OF MULTI-PHYSICS MATERIALS BEHAVIOR, TRANS TECH PUBLICATIONS LTD, Vol. 139, p. 41-+, 2008
  • 巻頭言 第一原理電子状態計算の時代, 森川良忠, 表面科学, 2007/10
  • Electric Field Effect on Adsorbed Molecules at Metal Surfaces, Y. Morikawa, 2007/09
  • First-principles molecular dynamics study of Al/Alq3 interfaces, K. Takeuchi,S. Yanagisawa,Y. Morikawa, Sci. Tech. Adv. Mater., 2007/05
  • First-Principles Study of Al/Alq₃ and Al/LiF/Alq₃ Interfaces, S.Yanagisawa,K.Takeuchi,Y.Morikawa, 2007/03
  • First -principles theoretical simulations for surfaces and interfaces, Y. Morikawa,I. Hamada,S. Yanagisawa,K.H. Lee,M. Hiramatsu,A. Nagoya,T. Takeuchi,M. Otani,O. Sugino,Y. Okamoto,T. Ikeshoj, 2007/02
  • Single-Molecular Spectroscopy of Purine Base Molecule using STM/STS, N.Kubo,A.Nagoya, Y,Morikawa,H.Tanaka,T.Kawai, 2007/01
  • First-Principles Theoretical Study of Adsorption of Hydroben on TiO₂(110), M.Hiramatsu,Y.Morikawa, 2007/01
  • Application of van der Waals Density Functional to the Physisorption of n-butane on Cu(111) and Au(111), K.Lee,Y.Morikawa, 2007/01
  • First-Principles Theoretical Study on the Atomic and Electronic Structures of Al/Alq₃Interfaces, K.Takeuchi,S.Yanagisawa,Y.Morikawa, 2007/01
  • First-Principles Theoretical Study of Thiols adsorbed on Au(111), A.Nagoya,I.Hamada,Y.Morikawa, 2007/01
  • First-Principles Stydy of Alq₃/Al Interfaces:Origin of the Interfacial Dipole, Yanagisawa,Y.Morikawa, 2007/01
  • First-Principles Theoretical Study of Metal/Organic Interfaces: Origin and Roles of Interface Dipole, Y.Morikawa,S.Yanagisawa,K.Lee,A.Nagoya,K.Takeuchi,I.Hamada, 2007/01
  • Electronic structures of Au on TiO2(110) by first-principles calculations, K. Okazaki,Y. Morikawa,S. Tanaka,K. Tanaka,M. Kohyama, Physical Review B - Condensed Matter and Materials Physics, Vol. 69, No. 23, p. 1-235404, 2004/06
  • In-situ STM observation and DFT calculation of the decomposition process of formic acid on TiO2(110), M. Aizawa,Y. Morikawa,I. Takahashi,Y. Namai,T. Sasaki,Y. Iwasawa, Microscopy and Microanalysis, Vol. 10, No. 2, p. 480-481, 2004
  • Atomic and electronic structures of Au/TiO2 catalyst - First-principle calculations, K Okazaki,Y Morikawa,ST Swing,S Ichikawa,K Tanaka,M Kohyama, SPATIALLY RESOLVED CHARACTERIZATION OF LOCAL PHENOMENA IN MATERIALS AND NANOSTRUCTURES, MATERIALS RESEARCH SOC, Vol. 738, p. 363-368, 2003
  • 1ST-PRINCIPLES MOLECULAR-DYNAMICS STUDY OF ALKALI-METAL ADSORPTION ON A SI(001) SURFACE, Y MORIKAWA,K KOBAYASHI,K TERAKURA, SURFACE SCIENCE, ELSEVIER SCIENCE BV, Vol. 283, No. 1-3, p. 377-382, 1993/03
  • Coverage-dependent core-level binding-energy shifts of alkali-metal atoms on metal surfaces, X. Shi,D. Tang,D. Heskett,K. D. Tsuei,H. Ishida,Y. Morikawa,K. Terakura, Physical Review B, Vol. 47, No. 7, p. 4014-4017, 1993
  • Theoretical Support to the Double-layer Model for Potassium Adsorption on the Si(001) Surface, Y. Morikawa,K. Kobayashi,K. Terakura,S. Bluegel, Phys. Rev. B 44, pp3459-3462., Vol. 44, No. 7, p. 3459-3462, 1991/08

Misc.

  • Geometric and electronic structure of CuPc on Au(110)-(1x2), 奥山弘,越田裕之,八田振一郎,有賀哲也,濱本雄治,濱田幾太郎,森川良忠, 日本表面真空学会学術講演会要旨集(Web), Vol. 2020, 2020
  • Vibrationally excitated CO2 desorbed from decomposition of formate on Cu(111), Fahdzi Muttaqien,Hiroyuki Oshima,Yuji Hamamoto,Kouji Inagaki,Ikutaro Hamada,Yoshitada Morikawa, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, AMER CHEMICAL SOC, Vol. 255, 2018/03
  • 9pPSA-80 A first-principles study of LaFe_<1-x>Pd_xO_3 perovskite automotive catalyst using cluster expansion method, Nishitani Takuya,Tian Zhi-xue,Kizaki Hidetoshi,Inagaki Kouji,Morikawa Yoshitada, Meeting abstracts of the Physical Society of Japan, The Physical Society of Japan (JPS), Vol. 69, No. 2, p. 656-656, 2014/08/22
  • 9pPSA-126 First-principles metadynamics simulations of dissociative adsorption of hydrogen fluoride molecule at hydrofluoric acid/Si(111) interface, Kanamori Hitomi,Hirakawa Teruo,Sugiyama Masahiro,Inagaki Kouji,Kizaki Hidetoshi,Morikawa Yoshitada, Meeting abstracts of the Physical Society of Japan, The Physical Society of Japan (JPS), Vol. 69, No. 2, p. 667-667, 2014/08/22
  • 8pPSB-41 Investigation on the electronic and optical properties of chiral organic molecular materials using first-principles calculations, Hatada Shinnosuke,Yanagisawa Susumu,Kuwahara Yuji,Morikawa Yoshitada, Meeting abstracts of the Physical Society of Japan, The Physical Society of Japan (JPS), Vol. 69, No. 2, p. 214-214, 2014/08/22
  • 28pPSA-18 First-principles investigation on the self-regeneration mechanism of LaFe_<1-x>P_x2O_3 perovskite catalyst, Nishitani Takuya,Tian Zhi-xue,Kizaki Hidetoshi,Inagaki Kouji,Morikawa Yoshitada, Meeting abstracts of the Physical Society of Japan, The Physical Society of Japan (JPS), Vol. 69, No. 1, p. 882-882, 2014/03/05
  • 28pPSA-57 Dissociative Adsorption of CO_2 on Flat Cu(111) and Stepped Cu(221) Surfaces, Muttaqien Fandzi,Hamamoto Yuji,Inagaki Kouji,Morikawa Yoshitada, Meeting abstracts of the Physical Society of Japan, The Physical Society of Japan (JPS), Vol. 69, No. 1, p. 891-891, 2014/03/05
  • 28pXH-1 Symposium on hydrogen bond and dispersion forces from first-principles, Oguchi Tamio,Hamada Noriaki,Morikawa Yoshitada, Meeting abstracts of the Physical Society of Japan, The Physical Society of Japan (JPS), Vol. 68, No. 1, p. 384-384, 2013/03/26
  • Study on reactive species in catalyst-referred etching of 4H-SiC using platinum and hydrofluoric acid, Ai Isohashi,Yasuhisa Sano,Takeshi Okamoto,Kazuma Tachibana,Kenta Arima,Koji Inagaki,Keita Yagi,Shun Sadakuni,Yoshitada Morikawa,Kazuto Yamauchi, Materials Science Forum, Vol. 740-742, p. 847-850, 2012/09
  • Density Functional Theoretical Study of Pentacene/Noble Metal Interfaces with van der Waals Corrections: Vacuum Level Shifts and Electronic Structures, K. Toyoda,I. Hamada,K.-H. Lee,S. Yanagisawa,Y. Morikawa, J. Chem. Phys., AMER INST PHYSICS, Vol. 132, No. 13, 2010/04
  • Density functional theoretical study of pentacene/noble metal interfaces with van der Waals corrections: Vacuum level shifts and electronic structures, Kenji Toyoda,Ikutaro Hamada,Kyuho Lee,Susumu Yanagisawa,Yoshitada Morikawa, JOURNAL OF CHEMICAL PHYSICS, AMER INST PHYSICS, Vol. 132, No. 13, 2010/04
  • Interaction of water with a metal surface: Insight from the van der Waals density functional, I. Hamada,K.H. Lee,Y. Morikawa, Phys. Rev. B, Vol. 81, 115452, 2010/03
  • C-60 Adsorbed on Platinum Surface: A Good Mediator of Metal Wave Function, M. Sogo,Y. Sakamoto,M. Aoki,S. Masuda,S. Yanagisawa,Y. Morikawa, JOURNAL OF PHYSICAL CHEMISTRY C, AMER CHEMICAL SOC, Vol. 114, No. 8, p. 3504-3506, 2010/03
  • Electronic structure of hydrogen-terminated silicon surfaces [H-Si(111)] studied by two-photon photoemission, Tsuneyuki Nakamura,Ken Miyajima,Naoyuki Hirata,Takeshi Matsumoto,Yoshitada Morikawa,Hirokazu Tada,Atsushi Nakajima, APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, SPRINGER, Vol. 98, No. 4, p. 735-743, 2010/03
  • C-60 Adsorbed on Platinum Surface: A Good Mediator of Metal Wave Function, M. Sogo,Y. Sakamoto,M. Aoki,S. Masuda,S. Yanagisawa,Y. Morikawa, JOURNAL OF PHYSICAL CHEMISTRY C, AMER CHEMICAL SOC, Vol. 114, No. 8, p. 3504-3506, 2010/03
  • Electronic structure of hydrogen-terminated silicon surfaces [H-Si(111)] studied by two-photon photoemission, T. Nakamura,K. Miyajima,N. Hirata,T. Matsumoto,Y. Morikawa,H. Tada,A. Nakajima, Appl. Phys. A, SPRINGER, Vol. 98, No. 4, p. 735-743, 2010/03
  • Interactioin between Pt and graphene by first-principles calculations, Okazaki-Maeda Kazuyuki,Morikawa Yoshitada,Tanaka Shingo,Kohyama Masanori, Abstract of annual meeting of the Surface Science of Japan, The Surface Science Society of Japan, Vol. 30, No. 0, p. 406-406, 2010
  • Origin of Surface-Band Dispersion at the Pentacene/Cu Interface, Kenji Toyoda,Ikutaro Hamada,Susumu Yanagisawa,Yoshitada Morikawa, APPLIED PHYSICS EXPRESS, IOP PUBLISHING LTD, Vol. 3, No. 2, 2010
  • Symmetric hydrogen bond in a water-hydroxyl complex on Cu(110), T. Kumagai,M. Kaizu,H. Okuyama,S. Hatta,T. Aruga,I. Hamada,Y. Morikawa, Phys. Rev. B, AMER PHYSICAL SOC, Vol. 81, No. 4, 2010/01
  • Origin of Surface-Band Dispersion at the Pentacene/Cu Interface, K. Toyoda,I. Hamada,S. Yanagisawa,Y. Morikawa, Appl. Phys. Express, IOP PUBLISHING LTD, Vol. 3, No. 2, 2010/01
  • Interaction of water with a metal surface: Insight from the van der Waals density functional, Phys. Rev. B, Vol. 81, 115452, 2010
  • Symmetric hydrogen bond in a water-hydroxyl complex on Cu(110), T. Kumagai,M. Kaizu,H. Okuyama,S. Hatta,T. Aruga,I. Hamada,Y. Morikawa, PHYSICAL REVIEW B, AMER PHYSICAL SOC, Vol. 81, No. 4, 2010/01
  • Green's function method for elimination of the spurious multipole interaction in the surface/interface slab model, I. Hamada,M. Otani,O. Sugino,Y. Morikawa, Phys. Rev. B, Vol. 80, 165411-1-7, 2009/10
  • Electron emission spectra of thermal collisions of He metastable atoms with Au(111) and Pt(111) surfaces: Evidence for Penning ionization, S. Masuda,K. Sasaki,M. Sogo,M. Aoki,Y. Morikawa, PHYSICAL REVIEW A, AMER PHYSICAL SOC, Vol. 80, No. 4, 2009/10
  • Green's function method for elimination of the spurious multipole interaction in the surface/interface slab model, Ikutaro Hamada,Minoru Otani,Osamu Sugino,Yoshitada Morikawa, PHYSICAL REVIEW B, AMER PHYSICAL SOC, Vol. 80, No. 16, 2009/10
  • Electron emission spectra of thermal collisions of He metastable atoms with Au(111) and Pt(111) surfaces: Evidence for Penning ionization, S. Masuda,K. Sasaki,M. Sogo,M. Aoki,Y. Morikawa, Phys. Rev. A, AMER PHYSICAL SOC, Vol. 80, No. 4, 2009/10
  • First-principles study of benzene on noble metal surfaces: Adsorption states and vacuum level shifts, Kenji Toyoda,Yosuke Nakano,Ikutaro Hamada,Kyuho Lee,Susumu Yanagisawa,Yoshitada Morikawa, SURFACE SCIENCE, ELSEVIER SCIENCE BV, Vol. 603, No. 18, p. 2912-2922, 2009/09
  • Theoretical study of interfacial dipoles at metal/organic interfaces, Y. Morikawa, 2009/09
  • First-principles study of benzene on noble metal surfaces: Adsorption states and vacuum level shifts, Kenji Toyoda,Yosuke Nakano,Ikutaro Hamada,Kyuho Lee,Susumu Yanagisawa,Yoshitada Morikawa, SURFACE SCIENCE, ELSEVIER SCIENCE BV, Vol. 603, No. 18, p. 2912-2922, 2009/09
  • First-principles study of benzene on noble metal surfaces: Adsorption states and vacuum level shifts, Kenji Toyoda,Yosuke Nakano,Ikutaro Hamada,Kyuho Lee,Susumu Yanagisawa,Yoshitada Morikawa, SURFACE SCIENCE, ELSEVIER SCIENCE BV, Vol. 603, No. 18, p. 2912-2922, 2009/09
  • First-principles study of benzene on noble metal surfaces: Adsorption states and vacuum level shifts, Kenji Toyoda,Yosuke Nakano,Ikutaro Hamada,Kyuho Lee,Susumu Yanagisawa,Yoshitada Morikawa, SURFACE SCIENCE, ELSEVIER SCIENCE BV, Vol. 603, No. 18, p. 2912-2922, 2009/09
  • First- Principles Study of the Pentacene/Cu(111) Interface: Adsorption States and Vacuum Level Shifts, K. Toyoda,Y. Nakano,I. Hamada,K.H. Lee,S. Yanagisawa,Y. Morikawa, J. Electron Spectrosc. Relat. Phenom., ELSEVIER SCIENCE BV, Vol. 174, No. 1-3, p. 78-84, 2009/08
  • First-principles study of the pentacene/Cu(111) interface: Adsorption states and vacuum level shifts, Kenji Toyoda,Yosuke Nakano,Ikutaro Hamada,Kyuho Lee,Susumu Yanagisawa,Yoshitada Morikawa, JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, ELSEVIER SCIENCE BV, Vol. 174, No. 1-3, p. 78-84, 2009/08
  • First-principles study of the pentacene/Cu(111) interface: Adsorption states and vacuum level shifts, Kenji Toyoda,Yosuke Nakano,Ikutaro Hamada,Kyuho Lee,Susumu Yanagisawa,Yoshitada Morikawa, JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, ELSEVIER SCIENCE BV, Vol. 174, No. 1-3, p. 78-84, 2009/08
  • First-principles study of the pentacene/Cu(111) interface: Adsorption states and vacuum level shifts, Kenji Toyoda,Yosuke Nakano,Ikutaro Hamada,Kyuho Lee,Susumu Yanagisawa,Yoshitada Morikawa, JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, ELSEVIER SCIENCE BV, Vol. 174, No. 1-3, p. 78-84, 2009/08
  • First-principle molecular dynamics simulations of chemical reactions at water/metal interfaces, Y. Morikawa, 2009/06
  • Termination dependence of surface stacking at 4H-SiC(0001)-1×1: Density functional theory calculations, Hideyuki Hara,Yoshitada Morikawa,Yasuhisa Sano,Kazuto Yamauchi, PHYSICAL REVIEW B, AMER PHYSICAL SOC, Vol. 79, No. 15, 2009/04
  • 化学反応シミュレーションの現状と課題, 池田隆司,ボエロ マウロ,森川良忠, 日本物理学会誌, Vol. 64 256-262, 2009/04
  • Termination dependence of surface stacking at 4H-SiC(0001)-1x1: Density functional thoery calculations, H. Hara,Y. Morikawa,Y. Sano,K. Yamauchi, Phys. Rev. B, Vol. Vol. 79, 153306, 2009/04
  • Termination dependence of surface stacking at 4H-SiC (0001) -1×1: Density functional theory calculations, Hideyuki Hara,Yoshitada Morikawa,Yasuhisa Sano,Kazuto Yamauchi, Physical Review B - Condensed Matter and Materials Physics, Vol. 79, No. 15, 2009/04/01
  • Present status and future subjets of first-principles-based simulations for chemical reactions, T. Ikeda,M. Boero,Y. Morikawa, Journal of the Physical Society of Japan, Vol. 64 256-262, 2009/04
  • Effects of Vacancy and Dopants on the Pt-graphene interaction, Okazaki-Maeda K,Morikawa Y,Tanaka S,Kohyama M, Meeting Abstracts of the Physical Society of Japan, 社団法人 日本物理学会, Vol. 64, No. 0, 2009/03
  • Theoretical investigation of the electronic structure of the Alq(3)/Mg interface, Susumu Yanagisawa,Yoshitada Morikawa, JOURNAL OF PHYSICS-CONDENSED MATTER, IOP PUBLISHING LTD, Vol. 21, No. 6, 2009/02
  • First-principles molecular dynamics simulations of chemical reactions at electrode surfaces, Y.Morikawa, 2009/02
  • Theoretical investigation of the electronic structure of the Alq3/Mg interface, S. Yanagisawa,Y. Morikawa, J. Phys.: Condens. Matter, Vol. 21, No. 6, 2009/02
  • Catalyst-Referred Etching of 4H-SiC:Study of Etching Mechanism, Hara Hideyuki,Sano Yasuhisa,Morikawa Yoshitada,Okamoto Takeshi,Yagi Keita,Murata Junji,Sadakuni Shun,Arima Kenta,Yamauchi Kazuto, Proceedings of JSPE Semestrial Meeting, The Japan Society for Precision Engineering, Vol. 2009, No. 0, p. 1011-1012, 2009
  • Density-functional theory study of hydrogen at the water/Pt(111) interface, I.Hamada,Y.Morikawa, 2009/01
  • Theoretical investigation of the electronic structure of the Alq3/metal interfaces, S. Yanagisawa,K. Lee,Y. Morikawa, 2009/01
  • Tunneling dynamics of a hydroxyl group adsorbed on Cu(110), T. Kumagai,M. Kaizu,H. Okuyama,S. Hatta,T. Aruga,I. Hamada,Y. Morikawa, PHYSICAL REVIEW B, AMER PHYSICAL SOC, Vol. 79, No. 3, 2009/01
  • Theoretical investigation of the electronic structure of the Alq 3/Mg interface, Susumu Yanagisawa,Yoshitada Morikawa, Journal of Physics Condensed Matter, Vol. 21, No. 6, 2009
  • First-principle molecular dynamics simulations of chemical reactions at water/metal interfaces, 2009
  • Theoretical study of interfacial dipoles at metal/organic interfaces, 2009
  • Density-functional theory study of hydrogen at the water/Pt(111) interface, 2009
  • Theoretical investigation of the electronic structure of the Alq3/metal interfaces, 2009
  • Tunneling dynamics of a hydroxyl group adsorbed on Cu(110), T. Kumagai,M. Kaizu,H. Okuyama,S. Hatta,T. Aruga,I. Hamada,Y. Morikawa, Phys. Rev. B, AMER PHYSICAL SOC, Vol. 79, No. 3, 2009/01
  • First-principles molecular dynamics simulations of chemical reactions at electrode surfaces, 2009
  • Theoretical investigation of the electronic structure of the Alq3/metal interfaces, 2009
  • Water monomer and dimer on Cu(110) studied using a scanning tunneling microscope, T. Kumagai,M. Kaizu,H. Okuyama,S. Hatta,T. Aruga,I. Hamada,Y. Morikawa, e-Journal of Surface Science and Nanotechnology, Vol. 6, p. 296-300, 2008/12/25
  • The local electronic properties and formation process of titanium silicide nanostructures on Si(001)-(2 x 1), M. Toramaru,T. Iida,K. Sato,S. Ohno,K. Shudo,Y. Morikawa,M. Tanaka, JOURNAL OF PHYSICS-CONDENSED MATTER, IOP PUBLISHING LTD, Vol. 20, No. 48, 2008/12
  • Water Monomer and Dimer on Cu(110) Studied Using a Scanning Tunneling Microscope, T. Kumagai,M. Kaizu,H. Okuyama,S. Hatta,T. Aruga,I. Hamada,Y. Morikawa, e-J Surf. Sci. Nanotech., Vol. 6, p. 296-300, 2008/12
  • Density-Functional Analysis of Hydrogen on Pt(111): Electric Field, Solvent, and Coverage Effects (vol 112C, pg 10897, 2008), Ikutaro Hamada,Yoshitada Morikawa, JOURNAL OF PHYSICAL CHEMISTRY C, AMER CHEMICAL SOC, Vol. 112, No. 44, p. 17486-17486, 2008/11
  • The local electronic properties and formation process of titanium silicide nanostructures on Si(001)-(2x1), M. Tonomaru,T. Iida,K. Sato,S. Ohno,K. Shudo,Y. Morikawa,M. Tanaka, J. Phys.: Condens. Matter, IOP PUBLISHING LTD, Vol. 20, No. 48, 2008/10
  • First-principles molecular dynamics simulation of H adsorption at the water/Pt(111) interface, Y. Morikawa,I. Hamada,T. Ikeshoji,Y. Okamoto,M. Otani,O. Sugino, 2008/09
  • Density-functional analysis of hydrogen on Pt(111): Electric field, solvent, and coverage effects, Ikutaro Hamada,Yoshitada Morikawa, JOURNAL OF PHYSICAL CHEMISTRY C, AMER CHEMICAL SOC, Vol. 112, No. 29, p. 10889-10898, 2008/07
  • Density-Functional Analysis of Hydrogen on Pt(111): Electric Field, Solvent, and Coverage Effects, Ikutaro Hamada,Yoshitada Morikawa, Journal of Physical Chemistry C, American Chemical Society, Vol. 112, No. 29, p. 10889-10898, 2008/07
  • Density functional theoretical study of hydrogen on Pt(111) in an ekectochemical environment", I. Hamada,Y. Morikawa, 2008/06
  • Density functional theoretical study of hydrogen on Pt(111) in an electrochemical environment, I. Hamada,Y. Morikawa, 2008/06
  • First-principles theoretical study of Alq(3)/Al interfaces: Origin of the interfacial dipole, Susumu Yanagisawa,Kyuho Lee,Yoshitada Morikawa, JOURNAL OF CHEMICAL PHYSICS, AMER INST PHYSICS, Vol. 128, No. 24, 2008/06
  • First-principles theoretical study of Alq3/Al interfaces: Origin of the interfacial dipole, Susumu Yanagisawa,Kyuho Lee,Yoshitada Morikawa, J. Chem. Phys., American Institute of Physics, Vol. 128, No. 24, 2008/06
  • First-principles theoretical study of Alq(3)/Al interfaces: Origin of the interfacial dipole, Susumu Yanagisawa,Kyuho Lee,Yoshitada Morikawa, JOURNAL OF CHEMICAL PHYSICS, AMER INST PHYSICS, Vol. 128, No. 24, 2008/06
  • Structure of the water/platinum interface -- a first principles simulation under bias potential, Minoru Otani,Ikutaro Hamada,Osamu Sugino,Yoshitada Morikawa,Yasuharu Okamoto,Tamio Ikeshoji, Phys. Chem. Chem. Phys., RSC Publishing, Vol. 10, No. 25, p. 3609-3612, 2008/05
  • Electric field effect on the adsorption state of methylthiolate on Au(111), A. Nagoya,I. hamada,Y. Morikawa, e-J. Surf. Sci. and Nanotechnology, Vol. 6, p. 99-102, 2008/04
  • Role of molecular orbitals near the Fermi level in the excitation of vibrational modes of a single molecule at a scanning tunneling microscope junction, Michiaki Ohara,Yousoo Kim,Susumu Yanagisawa,Yoshitada Morikawa,Maki Kawai, PHYSICAL REVIEW LETTERS, AMER PHYSICAL SOC, Vol. 100, No. 13, 2008/04
  • Direct Observation of Hydrogen-Bond Exchange within a Single Water Dimer, T. Kumagai,M. Kaizu,S. Hatta,H. Okuyama,T. Aruga,I. Hamada,Y. Morikawa, Physical Review Letters, The American Physical Society, Vol. 100, No. 16, 2008/04
  • Electric field effect on the adsorption state of methylthiolate on Au(111), Akihiro Nagoya,Ikutaro Hamada,Yoshitada Morikawa, e-Journal of Surface Science and Nanotechnology, Vol. 6, p. 99-102, 2008/04/01
  • Role of molecular orbitals near the Fermi level in the excitation of vibrational modes of a single molecule at a scanning tunneling microscope junction, Michiaki Ohara,Yousoo Kim,Susumu Yanagisawa,Yoshitada Morikawa,Maki Kawai, PHYSICAL REVIEW LETTERS, AMER PHYSICAL SOC, Vol. 100, No. 13, 2008/04
  • Direct observation of hydrogen-bond exchange within a single water dimer, T. Kumagai,M. Kaizu,S. Hatta,H. Okuyama,T. Aruga,I. Hamada,Y. Morikawa, PHYSICAL REVIEW LETTERS, AMER PHYSICAL SOC, Vol. 100, No. 16, 2008/04
  • First-principles Simulations of Metal/Organic Interfaces: Importance of Weak Interaction, Y. Morikawa, 2008/03
  • Evaluation of Infrared Absorption Spectra and High Resolution Electron Energy Loss Spectra by First-principles Calculation, Y. Morikawa, Journal of the Surface Science Society of Japan, Vol. 29 (3), 202-205, 2008/03
  • Electric Field Effect on the Atomic Geometries and Electronic Structures of Adsorbed Molecules on Metal Surfaces, Y. Morikawa,A. Nagoya,H. Jippou,I. Hamada, 2008/02
  • First-principles study of hydrogen on Pt(111) in an electrochemical condition, I. Hamada,Y. Morikawa, 2008/02
  • First-principles theoretical study of Alq3 on Al and Mg surfaces, S. Yanagisawa,K. Lee,Y. Morikawa, 2008/02
  • Electrode dynamics from first principles, Minoru Otani,Ikutaro Hamada,Osamu Sugino,Yoshitada Morikawa,Yasuharu Okamoto,Tamio Ikeshoji, JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, PHYSICAL SOC JAPAN, Vol. 77, No. 2, 2008/02
  • Electrode Dynamics from First Principles, M. Otani,I. Hamada,O. Sugino,Y. Morikawa,Y. Okamoto,T. Ikeshoji, J. Phys. Soc. Jpn., PHYSICAL SOC JAPAN, Vol. 77, No. 2, 2008/02
  • 23aTD-10 Atomic and Electronic Structures of Pt-cluster on Graphene, Okazaki-Maeda K,Morikawa Y,Maeda Y,Akita T,Tanaka S,Kohyama M, Meeting Abstracts of the Physical Society of Japan, The Physical Society of Japan, Vol. 63, No. 0, 2008
  • First-principles theoretical study of Alq3 on Al and Mg surfaces, 2008
  • Density functional theoretical study of hydrogen on Pt(111) in an electrochemical environment, 2008
  • First-principles theoretical study of Alq3/Al interfaces: Origin of the interfacial dipole, Susumu Yanagisawa,Kyuho Lee,Yoshitada Morikawa, Journal of Chemical Physics, Vol. 128, No. 24, 2008
  • Electric Field Effect on the Atomic Geometries and Electronic Structures of Adsorbed Molecules on Metal Surfaces, 2008
  • Density-functional analysis of hydrogen on Pt(111): electric field, solvent and coverage effects: Erratum, J. Phys. Chem. C, Vol. 112 17486-17486, 2008
  • Theoretical study of interfacial dipoles at metal/organic interfaces, Y. Morikawa, 2008/01
  • Electric Field Effect on the Atomic Geometries and Electronic Structures of Adsorbed Molecules on Metal Surfaces, 2008
  • First-principles Study of Hydrogen on Pt(111) in an Electrochemical Condition, 2008
  • 第一原理電子状態計算による赤外吸収分光、および、高分解能電子エネルギー損失分光(HREELS)の評価, 表面科学, Vol. 29 (3), 202-205, 2008
  • Electric Field Effect on the Atomic Geometries and Electronic Structures of Adsorbed Molecules on Metal Surfaces, 2008
  • Density functional theoretical study of hydrogen on Pt(111) in an ekectochemical environment”, 2008
  • First-principles theoretical study of Alq3 on Al and Mg surfaces, 2008
  • Density functional theoretical study of hydrogen on Pt(111) in an electrochemical environment, 2008
  • Electric Field Effect on the Atomic Geometries and Electronic Structures of Adsorbed Molecules on Metal Surfaces, 2008
  • Density-functional analysis of hydrogen on Pt(111): electric field, solvent and coverage effects: Erratum, J. Phys. Chem. C, Vol. 112 17486-17486, 2008
  • Density-functional analysis of hydrogen on Pt(111): electric field, solvent and coverage effects, J. Phys. Chem. C, Vol. 112 10889-10898, 2008
  • Density-functional theoretical study of hydrogen on Pt(111) in an electrochemical environment, 2008
  • First-principles molecular dynamics simulation of H adsorption at the water/Pt(111) interface, 2008
  • Theoretical study of interfacial dipoles at metal/organic interfaces, 2008
  • First-principles study of hydrogen on Pt(111) in an electrochemical condition, 2008
  • Electric Field Effect on the Atomic Geometries and Electronic Structures of Adsorbed Molecules on Metal Surfaces, 2008
  • First-principles Study of Hydrogen on Pt(111) in an Electrochemical Condition, 2008
  • First-principles theoretical study of Alq3 on Al and Mg surfaces, 2008
  • First-principles Simulations of Metal/Organic Interfaces: Importance of Weak Interaction, 2008
  • Structure of the water/platinum interface - a first principles simulation under bias potential, Minoru Otani,Ikutaro Hamada,Osamu Sugino,Yoshitada Morikawa,Yasuharu Okamoto,Tamio Ikeshoji, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ROYAL SOC CHEMISTRY, Vol. 10, No. 25, p. 3609-3612, 2008
  • Origin of strange vibrational spectra of NO on Pt(111) surface, H. Aizawa,Y. Morikawa,S. Tsuneyuki,K. Fukutani,T. Ohno, e-J. Surf. Sci. and Nanotechnology, Vol. 5 122-125, 2007/12
  • Switchover of reaction mechanism for the catalytic decomposition of HCOOH on a TiO2(110) surface, Yohei Uemura,Toshiaki Taniike,Mizuki Tada,Yoshitada Morikawa,Yasuhiro Iwasawa, JOURNAL OF PHYSICAL CHEMISTRY C, AMER CHEMICAL SOC, Vol. 111, No. 44, p. 16379-16386, 2007/11
  • First-principles Molecular Dynamics Simulation of Biased Electrode/Solution Interface, O. Sugino,I. Hamada,M. Otani,Y. Morikawa,T. Ikeshoji,Y. Okamoto, Surf. Sci., ELSEVIER SCIENCE BV, Vol. 601, No. 22, p. 5237-5240, 2007/11
  • First-principles molecular dynamics simulation of biased electrode/solution interface, Osamu Sugino,Ikutaro Hamada,Minoru Otani,Yoshitada Morikawa,Tanuo Ikeshoji,Yasuharu Okamoto, SURFACE SCIENCE, ELSEVIER SCIENCE BV, Vol. 601, No. 22, p. 5237-5240, 2007/11
  • Origin of strange vibrational spectra of NO on Pt(111) surface, Hideaki Aizawa,Yoshitada Morikawa,Shinji Tsuneyuki,Katsuyuki Fukutani,Takahisa Ohno, e-Journal of Surface Science and Nanotechnology, Vol. 5, p. 122-125, 2007/10/02
  • Origin of strange vibrational spectra of NO on Pt(111) surface, Hideaki Aizawa,Yoshitada Morikawa,Shinji Tsuneyuki,Katsuyuki Fukutani,Takahisa Ohno, e-Journal of Surface Science and Nanotechnology, Vol. 5, p. 122-125, 2007/10/02
  • Origin of strange vibrational spectra of NO on Pt(111) surface, Hideaki Aizawa,Yoshitada Morikawa,Shinji Tsuneyuki,Katsuyuki Fukutani,Takahisa Ohno, e-Journal of Surface Science and Nanotechnology, Vol. 5, p. 122-125, 2007/10/02
  • First-principles Theoretical Study on the Origin of the Interfacial Dipole Formation at Organic/Metal Interfaces, Y. Nakano,S. Yanagisawa,I. Hamada,Y. Morikawa, 2007/10
  • First-principles theoretical study of Alq3 on Al and Mg surfaces, S. Yanagisawa,K. Lee,Y. Morikawa, 2007/10
  • First-principles molecular dynamics simulations of electrochemical reactions at the water/Pt(111) interface, I. Hamada,M. Otani,Y. Morikawa,O. Sugino,Y. Okamoto,T. Ikeshoji, 2007/10
  • Switchover of Reaction Mechanism for the Catalytic Decomposition of HCOOH on a TiO2(110), Y. Umemura,T. Taniike,M. Tada,Y. Morikawa,Y. Iwasawa, J. Phys. Chem. C, American Chemical Society, Vol. 111, No. 44, p. 16379-16386, 2007/10
  • Theoretical approach for chemical reactions on the TiO2(110) surface, Y. Morikawa, Hyoumenn Kagaku (in Japanese), Vol. vol. 28, p.556-560, 2007/10
  • First-principles simulations for chemical reactions at interfaces, Y. Morikawa,A. Nagoya,I. Hamada, 2007/09
  • Adsorption states of methylthiolate on the Au(111) surface, Akihiro Nagoya,Yoshitada Morikawa, JOURNAL OF PHYSICS-CONDENSED MATTER, IOP PUBLISHING LTD, Vol. 19, No. 36, 2007/09
  • Adsorption state of methylthiolate on the Au(111) surface, A. Nagoya,Y. Morikawa, J. Phys. Condensed Matter, IOP PUBLISHING LTD, Vol. 19, No. 36, 2007/09
  • First-principles Simulations of Chemical Reactions at Surfaces and Interfaces, Y. Morikawa,I. Hamada,S. Yanagisawa,K. H. Lee,M. Hiramatsu,A. Nagoya,T. Takeuchi,M. Otani,O. Sugino,Y. Okamoto,T. Ikeshoji,M. Kawahara, 2007/08
  • Electric Field Effect on the Atomic Geometries and Electronic Structures of Adsorbed Molecules on Metal Surfaces, Y. Morikawa,A. Nagoya,I. Hamada, 2007/08
  • Local electronic properties induced at the molecule-metal interface, S. Masuda,Y. Koide,M. Aoki,Y. Morikawa, JOURNAL OF PHYSICAL CHEMISTRY C, AMER CHEMICAL SOC, Vol. 111, No. 32, p. 11747-11750, 2007/08
  • Local Electronic Properties Induced at the Molecule-Metal Interface, S. Masuda,Y. Koide,M. Aoki,Y. Morikawa, J. Phys. Chem. C, AMER CHEMICAL SOC, Vol. 111, No. 32, p. 11747-11750, 2007/08
  • A New Aspect of Heterogeneous Catalysis: Highly Reactive cis-(NO)2 Dimer and Eley-Rideal Mechanism for NO-CO Reaction on a Co-Dimer/γ-Alumina Catalyst, T. Taniike,M. Tada,R. Coquet,Y. Morikawa,T. Sasaki,Y. Iwasawa, Chem. Phys. Lett., ELSEVIER SCIENCE BV, Vol. 443, No. 1-3, p. 66-70, 2007/07
  • A new aspect of heterogeneous catalysis: Highly reactive cis-(NO)(2) dimer and Eley-Rideal mechanism for NO-CO reaction on a Co-dimer/-gamma-alumina catalyst, Toshiaki Taniike,Mizuki Tada,Rudy Coquet,Yoshitada Morikawa,Takehiko Sasaki,Yasuhiro Iwasawa, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 443, No. 1-3, p. 66-70, 2007/07
  • First-principles molecular dynamics simulation of chemical reactions at electrode surfaces, Y. Morikawa, 2007/06
  • Theoretical analysis of Hydrogen on Pt(111): effect of coverage and an electric field, I. Hamada,Y. Morikawa, 2007/06
  • First principles simulations of electrochemical reactions at the water/Pt(111) interface, I. Hamada,M. Otani,Y. Morikawa,O. Sugino,Y. Okamoto,T. Ikeshoji, 2007/06
  • A first-principles study on nitrogen solubility in Na flux toward theoretical search for a novel flux for bulk GaN growth, Minoru Kawahara,Fumio Kawamura,Masashi Yoshimura,Yusuke Mori,Takatomo Sasaki,Susumu Yanagisawa,Yoshitada Morikawa, JOURNAL OF CRYSTAL GROWTH, ELSEVIER SCIENCE BV, Vol. 303, No. 1, p. 34-36, 2007/05
  • A first-principles study on nitrogen solubility in Na flux toward theoretical search for a novel flux for bulk GaN growth, M. Kawahara,F. Kawamura,M. Yoshimura,Y. Mori,T. Sasaki,S. Yanagisawa,Y. Morikawa, J. Crystal Growth, ELSEVIER SCIENCE BV, Vol. 303, No. 1, p. 34-36, 2007/05
  • First-principles molecular dynamics study of Al/Alq(3) interfaces, Kousuke Takeuchi,Susumu Yanagisawa,Yoshitada Morikawa, SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS, NATL INST MATERIALS SCIENCE, Vol. 8, No. 3, p. 191-195, 2007/04
  • First-principles molecular dynamics study of Al/Alq(3) interfaces, Kousuke Takeuchi,Susumu Yanagisawa,Yoshitada Morikawa, SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS, NATL INST MATERIALS SCIENCE, Vol. 8, No. 3, p. 191-195, 2007/04
  • A first-principles investigation on the mechanism of nitrogen dissolution in the Na flux method, M. Kawahara,F. Kawamura,M. Yoshimura,Y. Mori,T. Sasaki,S. Yanagisawa,Y. Morikawa, JOURNAL OF APPLIED PHYSICS, AMER INST PHYSICS, Vol. 101, No. 6, 2007/03
  • A First-principles Investigation on the Mechanism of Nitrogen Dissolution in the Na Flux Method, M. Kawahara,F. Kawamura,M. Yoshimura,Y. Mori,T. Sasaki,S. Yanagisawa,Y. Morikawa, J. Appl. Phys., AMER INST PHYSICS, Vol. 101, No. 6, 2007/03
  • 23pXK-6 Effects of Supports on Hydrogen-Adsorption on Pt-clusters, Okazaki-Maeda K,Morikawa Y,Tanaka S,Kohyama M, Meeting Abstracts of the Physical Society of Japan, The Physical Society of Japan, Vol. 62, No. 0, 2007
  • Electric Field Effect on the Atomic Geometries and Electronic Structures of Adsorbed Molecules on Metal Surfaces, 2007
  • First principles simulations of electrochemical reactions at the water/Pt(111) interface, 2007
  • First-principles theoretical study of Alq3 on Al and Mg surfaces, 2007
  • TiO2(110)表面の化学反応の理論的なアプローチ, 表面科学, Vol. vol. 28, p.556-560, 2007
  • Comparison of localized basis and plane-wave basis for density-functional calculations of organic molecules on metals, Kyuho Lee,Jaejun Yu,Yoshitada Morikawa, PHYSICAL REVIEW B, AMERICAN PHYSICAL SOC, Vol. 75, No. 4, 2007/01
  • First-principles molecular dynamics simulation of chemical reactions at electrode surfaces, 2007
  • First principles simulations of electrochemical reactions at the water/Pt(111) interface, 2007
  • Theoretical analysis of Hydrogen on Pt(111): effect of coverage and an electric field, 2007
  • First-principles Simulations of Chemical Reactions at Surfaces and Interfaces, 2007
  • Electric Field Effect on the Atomic Geometries and Electronic Structures of Adsorbed Molecules on Metal Surfaces, 2007
  • First-principles simulations for chemical reactions at interfaces, 2007
  • First principles simulations of electrochemical reactions at the water/Pt(111) interface, 2007
  • Electric Field Effect on the Atomic Geometries and Electronic Structures of Adsorbed Molecules on Metal Surfaces, 2007
  • First-principles theoretical study of Alq3 on Al and Mg surfaces, 2007
  • First-principles molecular dynamics simulations of electrochemical reactions at the water/Pt(111) interface, 2007
  • First-principles theoretical study of Alq3 on Al and Mg surfaces, 2007
  • First-principles Theoretical Study on the Origin of the Interfacial Dipole Formation at Organic/Metal Interfaces, 2007
  • Comparison of localized basis and plane-wave basis for density-functional calculations of organic molecules on metals, K.H. Lee,J.J. Yu,Y. Morikawa, Phys. Rev. B, AMERICAN PHYSICAL SOC, Vol. 75, No. 4, 2007/01
  • Electronic Structures of Ag and Au adsorbed on TiO2(110) Surfaces by First-principles Calculations, K. Okazaki-Maeda,Y. Morikawa,S. Ichikawa,S. Tanaka,M. Kohyama, Mater. Trans., JAPAN INST METALS, Vol. 47, No. 11, p. 2669-2673, 2006/11
  • Study of Interaction between Au and TiO2(110) at Low Coverage, K. Okazaki-Maeda,Y. Maeda,Y. Morikawa,S. Tanaka,M. Kohyama, Mater. Trans., JAPAN INST METALS, Vol. 47, No. 11, p. 2663-2668, 2006/11
  • Study of interaction between Au and TiO2(110) at low coverage, Kazuyuki Okazaki-Maeda,Yasushi Maeda,Yoshitada Morikawa,Shingo Tanaka,Masanori Kohyama, MATERIALS TRANSACTIONS, JAPAN INST METALS, Vol. 47, No. 11, p. 2663-2668, 2006/11
  • Electronic structures of Ag and Au adsorbed on TiO2(110) surfaces by first-principles calculations, Kazuyuki Okazaki-Maeda,Yoshitada Morikawa,Satoshi Ichikawa,Shingo Tanaka,Masanori Kohyama, MATERIALS TRANSACTIONS, JAPAN INST METALS, Vol. 47, No. 11, p. 2669-2673, 2006/11
  • Trends in first-principles theoretical studies of catalysis, Yoshitada Morikawa, Vol. 27, No. 6, p. 354-359, 2006/06
  • Ab initio material design of CN for control of DB in a-Si, N Mitsuda,K Shirai,Y Morikawa,H Katayama-Yoshida, PHYSICA B-CONDENSED MATTER, ELSEVIER SCIENCE BV, Vol. 376, p. 240-244, 2006/04
  • Density functional theoretical calculations for a Co-2/gamma-Al2O3 model catalyst: Structures of the gamma-Al2O3 bulk and surface and attachment sites for Co2+ ions, T Taniike,M Tada,Y Morikawa,T Sasaki,Y Iwasawa, JOURNAL OF PHYSICAL CHEMISTRY B, AMER CHEMICAL SOC, Vol. 110, No. 10, p. 4929-4936, 2006/03
  • Important role of molecular permanent dipoles of the Alq(3)/Al interface studied from first-principles, S Yanagisawa,Y Morikawa, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 420, No. 4-6, p. 523-528, 2006/03
  • Density Functional Theoretical Calculations for a Co2/gamma-Al2O3 Model Catalyst: Structures of the gamma-Al2O3 Bulk and Surface and Attachment Sites for Co2+ Ions, T. Taniike,M. Tada,Y. Morikawa,T. Sasaki,Y. Iwasawa, J. Phys. Chem. B, 110, p4929-4936, AMER CHEMICAL SOC, Vol. 110, No. 10, p. 4929-4936, 2006/03
  • Important role of molecular permanent dipoles of the Alq3/Al interface studied from first-principles, S.Yanagisawa,Y.Morikawa, Chem. Phys. Lett., 420, p523-528, Vol. 420, 523-528, 2006/03
  • Theoretical Investigation on the Electronic Structure of the Tris-(8-hydroxyquinolinato) Aluminum/Aluminum Interface, Susumu Yanagisawa,Yoshitada Morikawa, Japanese Journal of Applied Physics, IOP Publishing, Vol. 45, No. 1B, p. 413-416, 2006/01/20
  • Theoretical investigation on the electronic structure of the Alq3/Al interface, S.Yanagisawa,Y.Morikawa, Jpn. J. Appl. Phys., 45 p413-416, Vol. 45, 413-416, 2006/01
  • Structure and binding energies of unsaturated hydrocarbons on Si(001) and Ge(001), JH Cho,KS Kim,Y Morikawa, JOURNAL OF CHEMICAL PHYSICS, AMER INST PHYSICS, Vol. 124, No. 2, 2006/01
  • 第一原理計算による触媒研究の動向, 表面科学, 27, p354-359, Vol. 27, p354-359, 2006
  • Why Is Formate Synthesis Insensitive to Copper Surface Structures?, G.C. Wang,Y. Morikawa,T. Matsumoto,J. Nakamura, J. Phys. Chem. B, 110, p9-11, AMER CHEMICAL SOC, Vol. 110, No. 1, p. 9-11, 2006/01
  • Structure and binding energies of unsaturated hydrocarbons on Si(001) and Ge(001), J.H. Cho,K.S. Kim,Y. Morikawa, J. Chem. Phys., 124, p024716-1-4, AMER INST PHYSICS, Vol. 124, No. 2, 2006/01
  • Ab initio material design of CN for control of DB in a-Si, N. Mitsuda,K. Shirai,Y. Morikawa,H. Katayama-Yoshida, Physica B, 376-377, p240-244, ELSEVIER SCIENCE BV, Vol. 376, p. 240-244, 2006/01
  • Why is formate synthesis insensitive to copper surface structures?, GC Wang,Y Morikawa,T Matsumoto,J Nakamura, JOURNAL OF PHYSICAL CHEMISTRY B, AMER CHEMICAL SOC, Vol. 110, No. 1, p. 9-11, 2006/01
  • Oxygen vacancy promoting catalytic dehydration of formic acid on TiO2(110)by in situ scanning tunneling observation, M.Aizawa,Y.Morikawa,Y.Namai,H.Morikawa,Y.Iwasawa, J. Phys. Chem. B, 109 p18831-18838, AMER CHEMICAL SOC, Vol. 109, No. 40, p. 18831-18838, 2005/10
  • First-principles calculations of metal/oxide interfaces: Effects of interface stoichiometry,, M. Kohyama,S. Tanaka,K. Okazaki,R. Yang,Y. Morikawa, Materials Science Forum, 502, p27-32, Vol. 502, p27-32, 2005/10
  • Oxygen vacancy promoting catalytic dehydration of formic acid on TiO2(110) by in situ scanning tunneling microscopic observation, M Aizawa,Y Morikawa,Y Namai,H Morikawa,Y Iwasawa, JOURNAL OF PHYSICAL CHEMISTRY B, AMER CHEMICAL SOC, Vol. 109, No. 40, p. 18831-18838, 2005/10
  • Kinetic Mechanism of Methanol Decomposition on Ni(111) Surface :A Theoretical Study, G.C.Wang,Y.H.Zhou,Y.Morikawa,J.Nakamura,Z.S.Cai,X.Z.Zhao, J. Phys. Chem. B 109 12431-12442, AMER CHEMICAL SOC, Vol. 109, No. 25, p. 12431-12442, 2005/06
  • Effects of stoichiometry on electronic states of Au andPt supported on TiO2(110), K.Okazaki,Y.Morikawa,S.Tanaka,K.Tanaka,M.Kohyama, J. Mater. Sci., 40 p3075-3080, SPRINGER, Vol. 40, No. 12, p. 3075-3080, 2005/06
  • Effects of stoichiometry on electronic states of Au and Pt supported on TiO2(110), K Okazaki,Y Morikawa,S Tanaka,K Tanaka,M Kohyama, JOURNAL OF MATERIALS SCIENCE, SPRINGER, Vol. 40, No. 12, p. 3075-3080, 2005/06
  • Kinetic mechanism of methanol decomposition on Ni(111) surface: A theoretical study, GC Wang,YH Zhou,Y Morikawa,J Nakamura,ZS Cai,XZ Zhao, JOURNAL OF PHYSICAL CHEMISTRY B, AMER CHEMICAL SOC, Vol. 109, No. 25, p. 12431-12442, 2005/06
  • Theoretical investigation on the electronic structureof the Alq3/Al interface, S.Yanagisawa,Y.Morikawa, 2005/04
  • Hydrogen-induced instability of the Ge(105) surface, Y.Fujikawa,T.Nagao,Y.Yamada-Takamura,T.Sakurai,T.Hashimoto,Y.Morikawa,K.Terakura, Phys. Rev. Lett., 94, 086105, Vol. 94, 086105, 2005/04
  • Hydrogen-induced instability of the Ge(105) surface, Y Fujikawa,T Nagao,Y Yamada-Takamura,T Sakurai,T Hashimoto,Y Morikawa,K Terakura,MG Lagally, PHYSICAL REVIEW LETTERS, AMERICAN PHYSICAL SOC, Vol. 94, No. 8, 2005/03
  • Stability and electronic structure of Ge(105)1x2:Afirst-principles theoretical study, T.Hashimoto,Y.Morikawa,K.Terakura, Surf. Sci., 576, p61-66, ELSEVIER SCIENCE BV, Vol. 576, No. 1-3, p. 61-66, 2005/02
  • Stability and electronic structure of Ge(105)1x2: a first-principles theoretical study, T Hashimoto,Y Morikawa,K Terakura, SURFACE SCIENCE, ELSEVIER SCIENCE BV, Vol. 576, No. 1-3, p. 61-66, 2005/02
  • Ge/Si(105)表面の原子間力顕微鏡観察, 秋山 琴音,江口 豊明,藤川 安仁,安 東秀,小野 雅紀,橋本 保,森川 良忠,寺倉 清之,櫻井 利夫,Max G. Lagally,長谷川 幸雄, 表面科学, Vol. 26, No. 8, p. 486-491, 2005
  • Theoretical investigation on the electronic structure of the Alq3/Al interface, 2005
  • First-principles calculations of metal/oxide interfaces: Effects of interface stoichiometry, M Kohyama,S Tanaka,K Okazaki,R Yang,Y Morikawa, NEW FRONTIERS OF PROCESSING AND ENGINEERING IN ADVANCED MATERIALS, TRANS TECH PUBLICATIONS LTD, Vol. 502, p. 27-32, 2005
  • Imaging of all dangling bonds and their potential on the Ge/Si(105) surface by noncontact atomic force microscopy, T Eguchi,Y Fujikawa,K Akiyama,T An,M Ono,T Hashimoto,Y Morikawa,K Terakura,T Sakurai,MG Lagally,Y Hasegawa, PHYSICAL REVIEW LETTERS, AMERICAN PHYSICAL SOC, Vol. 93, No. 26, 2004/12
  • Imaging of all dangling bonds and their potential on the Ge/Si(105) surface by noncontact atomic force microscopy, T. Eguchi,Y. Fujikawa,K. Akiyama,T. An,M. Ono,T. Hashimoto,Y. Morikawa,K. Terakura,T. Sakurai,M. Lagally,Y. Hasegawa, Phys. Rev. Lett., 93, 266102-1-4, Vol. 93, 266102-1-4, 2004/12
  • Application of first-principles calculations to organic electronics, Yoshitada Morikawa, Vol. 39, p818-823, 2004/11
  • First-principles investigation of self-assembled monolayers, Yoshitada Morikawa, Vol. 29, No. 6, p. 363-366, 2004/11
  • Adsorption structure of benzenethiol on Au(111): first-principles study, J Nara,S Higai,Y Morikawa,T Ohno, APPLIED SURFACE SCIENCE, ELSEVIER SCIENCE BV, Vol. 237, No. 1-4, p. 433-438, 2004/10
  • Cluster and periodic DFT calculations of adsorption and activation of CO2 on the Cu(hkl) surfaces, G.C. Wang,L. Jiang,Y. Morikawa,J. Nakamura,Z.S. Cai,Y.M. Pan,X.Z. Zhao, Surf. Sci., 570, p205-217, ELSEVIER SCIENCE BV, Vol. 570, No. 3, p. 205-217, 2004/10
  • Cluster and periodic DFT calculations of adsorption and activation of CO2 on the Cu(hkl) surfaces, GC Wang,J Ling,Y Morikawa,J Nakamura,ZS Cai,YM Pan,XZ Zhao, SURFACE SCIENCE, ELSEVIER SCIENCE BV, Vol. 570, No. 3, p. 205-217, 2004/10
  • Adsorption structure of benzenethiol on Au(111): first-principles study, J. Nara,S. Higai,Y. Morikawa,T. Ohno, App. Surf. Sci., 237, p433-438, ELSEVIER SCIENCE BV, Vol. 237, No. 1-4, p. 433-438, 2004/10
  • First-principles theoretical study and scanning tunneling microscopic observation of dehydration process of formic acid on a TiO2(110) surface, Y Morikawa,Takahashi, I,M Aizawa,Y Namai,T Sasaki,Y Iwasawa, JOURNAL OF PHYSICAL CHEMISTRY B, AMER CHEMICAL SOC, Vol. 108, No. 38, p. 14446-14451, 2004/09
  • Electronic structures of Au on TiO2(110) by first-principles calculations, K Okazaki,Y Morikawa,S Tanaka,K Tanaka,M Kohyama, PHYSICAL REVIEW B, AMER PHYSICAL SOC, Vol. 69, No. 23, 2004/06
  • First-principles Theoretical Study and Scanning Tunneling Microscopic Observation of Dehydration Process of Formic Acid on a TiO2(110) Surface, Y. Morikawa,I. Takahashi,M. Aizawa,Y. Namai,T. Sasaki,Y. Iwasawa, J. Phys. Chem. B 108, p14446-14451, AMER CHEMICAL SOC, Vol. 108, No. 38, p. 14446-14451, 2004/06
  • Electronic Structures of Au on TiO2(110) by First-principles Calculations, K. Okazaki,Y. Morikawa,S. Tanaka,K. Tanaka,M. Kohyama, Phys. Rev. B 69, 235404 1-8., AMER PHYSICAL SOC, Vol. 69, No. 23, 2004/06
  • Two-dimensional self-assembled structures of adenine molecules: modeling and simulation, K Shinoda,W Shinoda,CC Liew,S Tsuzuki,Y Morikawa,M Mikami, SURFACE SCIENCE, ELSEVIER SCIENCE BV, Vol. 556, No. 2-3, p. 109-120, 2004/05
  • Two-dimensional self-assembled structures of adenine molecules: modeling and simulation, K. Shinoda,W. Shinoda,C.C. Liew,S. Tsuzuki,Y. Morikawa,M. Mikami, Surf. Sci. 556, pp109-120, ELSEVIER SCIENCE BV, Vol. 556, No. 2-3, p. 109-120, 2004/05
  • Density Functional Theory investigation of benzenethiol adsorption on Au(111), J. Nara,S. Higai,Y. Morikawa,T. Ohno, J. Chem. Phys. 120, pp6705-6711., AMER INST PHYSICS, Vol. 120, No. 14, p. 6705-6711, 2004/04
  • Density functional theory investigation of benzenethiol adsorption on Au(111), J Nara,S Higai,Y Morikawa,T Ohno, JOURNAL OF CHEMICAL PHYSICS, AMER INST PHYSICS, Vol. 120, No. 14, p. 6705-6711, 2004/04
  • Stability of Homochiral and Heterochiral Phases of Glycine on Cu(001); a First-principles Theoretical Study, K. Mae,Y. Morikawa, Surf. Sci. Lett. 553, L63-L67., ELSEVIER SCIENCE BV, Vol. 553, No. 1-3, p. L63-L67, 2004/03
  • Stability of homochiral and heterochiral phases of glycinate on Cu(001): a first principles theoretical study, K Mae,Y Morikawa, SURFACE SCIENCE, ELSEVIER SCIENCE BV, Vol. 553, No. 1-3, p. L63-L67, 2004/03
  • 15pXE-5 Calculated Electronic Structures of novel metal adsorbed on TiO_2(110) surface, Okazaki K,Morikawa Y,Ichikawa S,Tanaka S,Kohyama M, Meeting Abstracts of the Physical Society of Japan, The Physical Society of Japan, Vol. 59, No. 0, 2004
  • 30pYE-3 Atomic Structures of Au/TiO_2(110) at Low Coverage, Okazaki K,Maeda Y,Morikawa Y,Tanaka S,Tanaka K,Kohyama M, Meeting Abstracts of the Physical Society of Japan, The Physical Society of Japan, Vol. 59, No. 0, 2004
  • 第一原理電子状態計算による表面吸着系の振動スペクトル解析, 分光研究、53 pp28-29, Vol. 53 pp28-29, 2004
  • 第一原理電子状態計算による自己組織化膜の研究, 膜、29 p363-366, Vol. 29 p363-366, 2004
  • 有機分子エレクトロニクスへの第一原理計算の応用, 固体物理、39, p818-823, Vol. 39, p818-823, 2004
  • Theoretical study of n-alkane adsorption on metal surfaces, Y Morikawa,H Ishii,K Seki, PHYSICAL REVIEW B, AMER PHYSICAL SOC, Vol. 69, No. 4, 2004/01
  • First-principles analysis of vibrational spectra for adsorbates on surfaces, Yoshitada Morikawa, Vol. 53, No. 1, p. 28-29, 2004/01
  • Theoretical Study of n-Alkane Adsorption on Metal Surfaces, Y. Morikawa,H. Ishii,K. Seki, Phys. Rev. B 69, 041403 (R) 1-4., 2004/01
  • A Theoretical Study of Surface-structural Sensitivity of the Reverse Water-gas Shift Reaction over Cu(hkl) Surfaces, G.C. Wang,L. Jiang,X.Y. Pang,Z.S. Cai,Y.M. Pan,X.Z. Zhao,Y. Morikawa,J. Nakamura, Surf. Sci. 543, pp118-130., ELSEVIER SCIENCE BV, Vol. 543, No. 1-3, p. 118-130, 2003/10
  • A theoretical study of surface-structural sensitivity of the reverse water-gas shift reaction over Cu(hkl) surfaces, GC Wang,L Jiang,XY Pang,ZS Cai,YM Pan,XZ Zhao,Y Morikawa,J Nakamura, SURFACE SCIENCE, ELSEVIER SCIENCE BV, Vol. 543, No. 1-3, p. 118-130, 2003/10
  • Comparative study of dehydrogenation at Pt(111)/water and Pt(111)/vacuum of methanol interfaces, Y Okamoto,O Sugino,Y Mochizuki,T Ikeshoji,Y Morikawa, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 377, No. 1-2, p. 236-242, 2003/08
  • Comparative Study of Dehydrogenation of Methanol at Pt(111)/water and Pt(111)/vacuum Interfaces, Y. Okamoto,O. Sugino,Y. Mochizuki,T. Ikeshoji,Y. Morikawa, Chem. Phys. Lett. 377, pp236-242., ELSEVIER SCIENCE BV, Vol. 377, No. 1-2, p. 236-242, 2003/08
  • First-principles investigation of vibrational spectra of NO adsorbed on Pt(111), H. Aizawa,Y. Morikawa,S. Tsuneyuki,K. Fukutani,T. Ohno, Vol. 24, pp306-312, 2003/05
  • Calculated Atomic and Electronic Structures of Au/TiO_2(110)-1x2, Okazaki K,Morikawa Y,Tanaka S,Tanaka K,Kohyama M, Meeting Abstracts of the Physical Society of Japan, The Physical Society of Japan, Vol. 58, No. 0, 2003
  • Pt(111)表面に吸着したNO分子の振動スペクトル―第一原理計算による解析―, 表面科学、24, pp306-312., Vol. 24, pp306-312, 2003
  • Methylthiolate Induced Vacancy Formation on Au(111): A Density Functional Theoretical Study, Y. Morikawa,C. C. Liew,H. Nozoye, Surf. Sci. 514, pp389-393., ELSEVIER SCIENCE BV, Vol. 514, No. 1-3, p. 389-393, 2002/08
  • A density-functional study of the atomic structures and vibrational spectra of NO/Pt(111), H Aizawa,Y Morikawa,S Tsuneyuki,K Fukutani,T Ohno, SURFACE SCIENCE, ELSEVIER SCIENCE BV, Vol. 514, No. 1-3, p. 394-403, 2002/08
  • Rebonded S-B step model of Ge/Si(105)1 x 2: A first-principles theoretical study, T Hashimoto,Y Morikawa,Y Fujikawa,T Sakurai,MG Lagally,K Terakura, SURFACE SCIENCE, ELSEVIER SCIENCE BV, Vol. 513, No. 3, p. L445-L450, 2002/08
  • Methylthiolate induced vacancy formation on Au(111): a density functional theoretical study, Y Morikawa,CC Liew,H Nozoye, SURFACE SCIENCE, ELSEVIER SCIENCE BV, Vol. 514, No. 1-3, p. 389-393, 2002/08
  • Rebonded SB step model of Ge/Si(105) 2x1: A First-principles Theoretical Study, T. Hashimoto,Y. Morikawa,Y. Fujikawa,T. Sakurai,M. G. Lagally,K. Terakura, Surf. Sci. Lett., 513, L445-L450., Vol. 513, L445-L450, 2002/08
  • A Density-functional Study of the Atomic Structures and Vibrational Spectra of NO/Pt(111), H. Aizawa,Y. Morikawa,S. Tsuneyuki,K. Fukutani,T. Ohno, Surf. Sci. 514, pp394-403., ELSEVIER SCIENCE BV, Vol. 514, No. 1-3, p. 394-403, 2002/08
  • First-principles molecular dynamics simulations for self-assembled monolayers on Au, Y. Morikawa,T. Hayashi,C. Liew,H. Nozoye, Vol. 23, No. 7, p. 423-430, 2002/07
  • First-principles Theoretical Study of Alkylthiolate Adsorption on Au(111), Y. Morikawa,T. Hayashi,C. C. Liew,H. Nozoye, Surf. Sci. 507-510, pp46-50., Vol. 507-510, pp46-50, 2002/06
  • First-principles theoretical study of alkylthiolate adsorption on Au(111), Y Morikawa,T Hayashi,CC Liew,H Nozoye, SURFACE SCIENCE, ELSEVIER SCIENCE BV, Vol. 507, p. 46-50, 2002/06
  • Origin of the stability of Ge(105) on Si: A new structure model and surface strain relaxation, Y Fujikawa,K Akiyama,T Nagao,T Sakurai,MG Lagally,T Hashimoto,Y Morikawa,K Terakura, PHYSICAL REVIEW LETTERS, AMERICAN PHYSICAL SOC, Vol. 88, No. 17, 2002/04
  • Origin of the Stability of Ge(105) on Si - a New Structure Model and Surface Strain Relaxation, Y. Fujikawa,K. Akiyama,T. Nagao,T. Sakurai,M. G. Lagally,T. Hashimoto,Y. Morikawa,K. Terakura, Phys. Rev. Lett. 88, pp176101-1-4., Vol. 88, pp176101-1-4, 2002/04
  • Calculated Atomic and Electronic Structures of Au/TiO2 Interfaces, Okazaki K,Morikawa Y,Tanaka S,Tanaka K,Kohyama M, Meeting Abstracts of the Physical Society of Japan, The Physical Society of Japan, Vol. 57, No. 0, 2002
  • Local Electronic States in the Topmost Surface Layer Probed by Metastable Atom Electron Spectroscopy: N2 Adsorbed and Condensed on Ni(111), R. Suzuki,H. Taoka,M. Aoki,S. Masuda,Y. Morikawa, Phys. Rev. B, 65, pp035416., AMER PHYSICAL SOC, Vol. 65, No. 3, 2002/01
  • 金-チオール系自己組織化膜の第一原理分子動力学シミュレーション, 表面科学、23, p423-430, Vol. 23, p423-430, 2002
  • Local electronic states in the topmost surface layer probed by metastable atom electron spectroscopy: N-2 adsorbed and condensed on Ni(111), R Suzuki,H Taoka,M Aoki,S Masuda,Y Morikawa, PHYSICAL REVIEW B, AMER PHYSICAL SOC, Vol. 65, No. 3, 2002/01
  • Meta-stable atom electron spectroscopy investigation local electronic structure of CO on Ni(100) and (111), S. Masuda,R. Suzuki,M. Aoki,Y. Morikawa,R. Kishi,M. Kawai, Vol. 22, pp443-448, 2001/07
  • Spatial electron distribution of CO adsorbed on Ni(100) and Ni(111) surfaces probed by metastable impact electron spectroscopy, S Masuda,R Suzuki,M Aoki,Y Morikawa,R Kishi,M Kawai, JOURNAL OF CHEMICAL PHYSICS, AMER INST PHYSICS, Vol. 114, No. 19, p. 8546-8554, 2001/05
  • Adsorption State of Dimethyl Disulfide on Au(111): Evidence for Adsorption as Thiolate at the Bridge Site, T. Hayashi,Y. Morikawa,H. Nozoye, J. Chem. Phys. 114, pp7615-7621., AMER INST PHYSICS, Vol. 114, No. 17, p. 7615-7621, 2001/05
  • Spatial Electron Distribution of CO Adsorbed on Ni(100) and Ni(111) Surfaces Probed by Metastable Impact Electron Spectroscopy, S. Masuda,R. Suzuki,M. Aoki,Y. Morikawa,R. Kishi,M. Kawai, J. Chem. Phys. 114, pp8546-8554., AMER INST PHYSICS, Vol. 114, No. 19, p. 8546-8554, 2001/05
  • Adsorption state of dimethyl disulfide on Au(111): Evidence for adsorption as thiolate at the bridge site, T Hayashi,Y Morikawa,H Nozoye, JOURNAL OF CHEMICAL PHYSICS, AMER INST PHYSICS, Vol. 114, No. 17, p. 7615-7621, 2001/05
  • Adsorption geometries and vibrational modes of C2H2 on the Si(001) surface, Yoshitada Morikawa, Physical Review B - Condensed Matter and Materials Physics, Vol. 63, No. 3, 2001/01/02
  • Theoretical Study of Hydrogenation Process of Formate on Clean and Zn Deposited Cu(111) Surfaces, Y. Morikawa,K. Iwata,K. Terakura, Appl. Surf. Sci. 169-170, pp11-15., ELSEVIER SCIENCE BV, Vol. 169, p. 11-15, 2001/01
  • メタステーブル原子電子分光によるNi(100), (111)上CO分子の局所電子分布, 表面科学、22, pp443-448., Vol. 22, pp443-448, 2001
  • Adsorption Geometries and Vibrational Modes of C2H2 on the Si(001) Surface, Y. Morikawa, Phys. Rev. B 63, pp033405., AMER PHYSICAL SOC, Vol. 63, No. 3, 2001/01
  • Theoretical study of hydrogenation process of formate on clean and Zn deposited Cu(111) surfaces, Y Morikawa,K Iwata,K Terakura, APPLIED SURFACE SCIENCE, ELSEVIER SCIENCE BV, Vol. 169, p. 11-15, 2001/01
  • First-principles study of chemical reactions at metal surfaces, Y. Morikawa,K. Iwata,K. Terakura, RIKEN Review, 29, pp9-11., Vol. 29, pp9-11, 2000/06
  • First principles study of thermal decomposition of alkyl-gallium and tertiary butylarsine, M Boero,Y Morikawa,K Terakura,M Ozeki, JOURNAL OF CHEMICAL PHYSICS, AMER INST PHYSICS, Vol. 112, No. 21, p. 9549-9556, 2000/06
  • First Principles Study of Thermal Decomposition of Alkyl-gallium and Tertiarybutylarsine, M. Boero,Y. Morikawa,K. Terakura,M. Ozeki, J. Chem. Phys. 112, pp9549-9556., AMER INST PHYSICS, Vol. 112, No. 21, p. 9549-9556, 2000/06
  • First-principles simulations of catalysis: Elucidation of dynamical processes, K. Terakura,Y. Morikawa,M. Boero, Vol. 42, No. 3, p. 200-206, 2000/06
  • 触媒反応の第一原理シミュレーション: 動的過程の解明に向けて, 触媒, 42, pp200-206., Vol. 42, pp200-206, 2000
  • First-principles study of chemical reactions at metal surfaces, RIKEN Review, 29, pp9-11., Vol. 29, pp9-11, 2000
  • Direct interaction between adsorbed CO molecules on Ni(100) surface in c(2x2) geometry, R. Kishi,Y. Morikawa,M. Kawai,K. Terakura, RIKEN Review, 25, pp54-55., Vol. 25, pp54-55, 1999/11
  • Ab initio study of surface structural changes during methanol synthesis over Zn/Cu(111), Y Morikawa,K Iwata,J Nakamura,T Fujitani,K Terakura, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 304, No. 1-2, p. 91-97, 1999/04
  • Ab Initio Study of Surface Structural Changes During Methanol Synthesis over Zn/Cu(111), Y. Morikawa,K. Iwata,J. Nakamura,T. Fujitani,K. Terakura, Chem. Phys. Lett. 304, pp91-97., ELSEVIER SCIENCE BV, Vol. 304, No. 1-2, p. 91-97, 1999/04
  • 密度汎関数法による化学反応過程の研究, 計算工学, 4, pp198-203., Vol. 4, pp198-203, 1999
  • First-principles investigation of chemical reactions, Yoshitada Morikawa, Vol. 4, No. 4, p. 198-203, 1999/01
  • Direct interaction between adsorbed CO molecules on Ni(100) surface in c(2x2) geometry, RIKEN Review, 25, pp54-55., Vol. 25, pp54-55, 1999
  • First-principles molecular dynamics study of CO adsorption on the Si(001) surface, Y Imamura,N Matsui,Y Morikawa,M Hada,T Kubo,M Nishijima,H Nakatsuji, CHEMICAL PHYSICS LETTERS, ELSEVIER SCIENCE BV, Vol. 287, No. 1-2, p. 131-136, 1998/04
  • First-principles Molecular Dynamics Study of CO Adsorption on the Si(001) Surface, Y. Imamura,N. Matsui,Y. Morikawa,M. Hada,T. Kubo,M. Nishijima,H. Nakatsuji, Chem. Phys. Lett. 287, pp131-136., ELSEVIER SCIENCE BV, Vol. 287, No. 1-2, p. 131-136, 1998/04
  • Jahn-Teller Distortion and Magnetic Structures in LaMnO3, H. Sawada,Y. Morikawa,N. Hamada,K. Terakura, J. Magnetism and Magnetic Materials, 177-181, pp879-880., ELSEVIER SCIENCE BV, Vol. 177, p. 879-880, 1998/01
  • Jahn-Teller distortion and magnetic structures in LaMnO3, H Sawada,Y Morikawa,N Hamada,K Terakura, JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, ELSEVIER SCIENCE BV, Vol. 177, p. 879-880, 1998/01
  • Jahn-Teller distortion and magnetic structures in LaMnO3, H Sawada,Y Morikawa,K Terakura,N Hamada, PHYSICAL REVIEW B, AMER PHYSICAL SOC, Vol. 56, No. 19, p. 12154-12160, 1997/11
  • Jahn-Teller Distortion and Magnetic Structures in LaMnO3, H. Sawada,Y. Morikawa,K. Terakura,N. Hamada, Phys. Rev. B 56, pp12154-12160., Vol. 56, pp12154-12160, 1997/11
  • CO Adsorption and Dissociation on Pt(111) and Ni(111) Surfaces, Y. Morikawa,J. J. Mortensen,B.Hammer,J. K. Noerskov, Surf. Sci. 386, pp67-72., ELSEVIER SCIENCE BV, Vol. 386, No. 1-3, p. 67-72, 1997/10
  • CO adsorption and dissociation on Pt(111) and Ni(111) surfaces, Y Morikawa,JJ Mortensen,B Hammer,JK Norskov, SURFACE SCIENCE, ELSEVIER SCIENCE BV, Vol. 386, No. 1-3, p. 67-72, 1997/10
  • A Comparison of N2 and CO Adsorption on Ru(001), J. J. Mortensen,Y. Morikawa,B.Hammer,J. K. Noerskov, Z. Phys. Chem. 198, pp113-122., R OLDENBOURG VERLAG, Vol. 198, p. 113-122, 1997/08
  • Density functional calculations of N-2 adsorption and dissociation on a Ru(0001) surface, JJ Mortensen,Y Morikawa,B Hammer,JK Norskov, JOURNAL OF CATALYSIS, ACADEMIC PRESS INC ELSEVIER SCIENCE, Vol. 169, No. 1, p. 85-92, 1997/07
  • Density Functional Calculations of N2 Adsorption and Dissociation on a Ru(0001) Surface, J. J. Mortensen,Y. Morikawa,B. Hammer,J. K. Noerskov, J. Catal. 169, pp85-92., ACADEMIC PRESS INC ELSEVIER SCIENCE, Vol. 169, No. 1, p. 85-92, 1997/07
  • A comparison of N-2 and CO adsorption on Ru(001), JJ Mortensen,Y Morikawa,B Hammer,JK Norskov, ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS, R OLDENBOURG VERLAG, Vol. 198, p. 113-122, 1997
  • ab initio Study of CO and N2 Chemisorption on Transition Metal Surfaces, Y. Morikawa,J. J. Mortensen,B. Hammer,J. K. Noerskov, Proceedings of the Oji Seminar on Chemical Proceses at Surfaces based on Atomic Scale Structure and Dynamics, p. 220-222, WORDS Publishing House, Vol. p. 220-222, 1996/12
  • CO chemisorption at metal surfaces and overlayers, B Hammer,Y Morikawa,JK Norskov, PHYSICAL REVIEW LETTERS, AMERICAN PHYSICAL SOC, Vol. 76, No. 12, p. 2141-2144, 1996/03
  • CO Chemisorption at Metal Surfaces and Overlayers, B. Hammer,Y. Morikawa,J. K. Noerskov, Phys. Rev. Lett. 76, pp2141-2144., AMERICAN PHYSICAL SOC, Vol. 76, No. 12, p. 2141-2144, 1996/03
  • ab initio Study of CO and N2 Chemisorption on Transition Metal Surfaces, Proceedings of the Oji Seminar on Chemical Proceses at Surfaces based on Atomic Scale Structure and Dynamics, p. 220-222, Vol. p. 220-222, 1996
  • FIRST-PRINCIPLES MOLECULAR-DYNAMICS STUDY OF ACETYLENE ADSORPTION ON THE SI(001) SURFACE, Y IMAMURA,Y MORIKAWA,T YAMASAKI,H NAKATSUJI, SURFACE SCIENCE, ELSEVIER SCIENCE BV, Vol. 341, No. 3, p. L1091-L1095, 1995/11
  • First-principles Molecular Dynamics Study of Acetylene Adsorption on the Si(001) Surface, Y. Imamura,Y. Morikawa,T. Yamasaki,H. Nakatsuji, Surf. Sci. 341, L1091-1095., ELSEVIER SCIENCE BV, Vol. 341, No. 3, p. L1091-L1095, 1995/11
  • First-Principles Theoretical Study of Metallic States of DCNQI-(Cu,Ag) Systems: Simplicity and Variety in Complex Systems, T. Miyazaki,K. Terakura,Y. Morikawa,T. Yamasaki, Phys. Rev. Lett. 74, pp5104-5107., AMERICAN PHYSICAL SOC, Vol. 74, No. 25, p. 5104-5107, 1995/06
  • FIRST-PRINCIPLES THEORETICAL-STUDY OF METALLIC STATES OF DCNQI-(CU,AG) SYSTEMS - SIMPLICITY AND VARIETY IN COMPLEX-SYSTEMS, T MIYAZAKI,K TERAKURA,Y MORIKAWA,T YAMASAKI, PHYSICAL REVIEW LETTERS, AMERICAN PHYSICAL SOC, Vol. 74, No. 25, p. 5104-5107, 1995/06
  • FURTHER LOWERING OF WORK FUNCTION BY OXYGEN-ADSORPTION ON THE K/SI(001) SURFACE, Y MORIKAWA, PHYSICAL REVIEW B, AMER PHYSICAL SOC, Vol. 51, No. 20, p. 14802-14805, 1995/05
  • Further Lowering of Work Function by Oxygen Adsorption on the K/Si(001) Surface, Y. Morikawa, Phys. Rev. B 51, RC 14802-14805., Vol. 14802-14805, 1995/05
  • Structural phase transition on Si(001) and Ge(001) surfaces, K Terakura,T Yamasaki,Y Morikawa, PHASE TRANSITIONS, TAYLOR & FRANCIS LTD, Vol. 53, No. 2-4, p. 143-163, 1995
  • Structural phase transition on Si(001) and Ge(001) surfaces, K. Terakura,T. Yamasaki,Y. Morikawa, PHASE TRANSITIONS 53 (2-4): 143-163 Part B, TAYLOR & FRANCIS LTD, Vol. 53, No. 2-4, p. 143-163, 1995/01
  • Ab initio molecular dynamics study of Al, Ga and Si adsorption on the Si(001) surface, T. Yamasaki,M. Ikeda,Y. Morikawa,K. Terakura, Mat. Res. Soc. Symp. Proc., 318 pp257-262, MATERIALS RESEARCH SOC, Vol. 318, p. 257-262, 1994/12
  • Order-disorder Phase Transition on the Si(001) Surface: Critical role of Dimmer Defects, K. Inoue,Y. Morikawa,K. Terakura,M. Nakayama, Phys. Rev. B 49, pp14774-14777., Vol. 49, pp14774-14777, 1994/05
  • ORDER-DISORDER PHASE-TRANSITION ON THE SI(001) SURFACE - CRITICAL ROLE OF DIMER DEFECTS, K INOUE,Y MORIKAWA,K TERAKURA,M NAKAYAMA, PHYSICAL REVIEW B, AMERICAN PHYSICAL SOC, Vol. 49, No. 20, p. 14774-14777, 1994/05
  • Order-disorder phase transition at Si(001), K. Terakura,K. Inoue,Y. Morikawa,T. Yamasaki, Vol. 29, pp204-212, 1994/03
  • Si(001)再構成表面の秩序・無秩序転移, 固体物理, 29, pp204-212., Vol. 29, pp204-212, 1994
  • AB-INITIO MOLECULAR-DYNAMICS STUDY OF AL, GA AND SI ADSORPTION ON THE SI(001) SURFACE, T YAMASAKI,M IKEDA,Y MORIKAWA,K TERAKURA, INTERFACE CONTROL OF ELECTRICAL, CHEMICAL, AND MECHANICAL PROPERTIES, MATERIALS RESEARCH SOC, Vol. 318, p. 257-262, 1994
  • Ab initio molecular-dynamics study of Al adsorption on the Si(001) surface, T. Yamasaki,M. Ikeda,Y. Morikawa,K. Terakura, Proceedings of Computer Aided Innovation of New Materials II, M. Doyama, p. 125-128, Elsevier, Vol. p. 125-128, p. 125-128, 1993/12
  • Order-Disorder Phase Transition on the Si(001) Surface, K. Inoue,Y. Morikawa,K. Terakura,M. Nakayama, Springer Series in Solid-State Sciences 114, p77-87, Springer-Verlag, Vol. 114, p. 77-87, 1993/12
  • Alkali-Metal Adsorption on the Si(001) Surface, Y. Morikawa,K. Kobayashi,K. Terakura, Springer Series in Solid-State Sciences 114, p98-111, Springer-Verlag, Vol. 114, p98-111, 1993/12
  • Structural and Vibrational Properties of Alkali Overlayers on Metals, H. Ishida,Y. Morikawa, Springer Series in Solid-State Sciences 114, p112-120, Springer-Verlag, Vol. 114, p112-120, 1993/12
  • STRUCTURAL AND VIBRATIONAL PROPERTIES OF ALKALI-METAL OVERLAYERS ON METALS, H ISHIDA,Y MORIKAWA, SURFACE SCIENCE, ELSEVIER SCIENCE BV, Vol. 291, No. 1-2, p. 87-92, 1993/07
  • Structural and Vibrational Properties of Alkali-metal Overlayers on Metals, H. Ishida,Y. Morikawa, Surf. Sci. 291, pp87-92., Vol. 291, pp87-92, 1993/07
  • COVERAGE-DEPENDENT CORE-LEVEL PHOTOEMISSION INVESTIGATIONS OF NA/CU(111) AND NA/NI(111), SHI, X,D TANG,D HESKETT,KD TSUEI,H ISHIDA,Y MORIKAWA, SURFACE SCIENCE, ELSEVIER SCIENCE BV, Vol. 290, No. 1-2, p. 69-79, 1993/06
  • Coverage-dependent Core Level Photoemission Investigations of Na/Cu(111) and Na/Ni(111), X. Shi,D. Tang,D. Heskett,K.-D. Tsuei,H. Ishida,Y. Morikawa, Surf. Sci. 290, pp69-79., ELSEVIER SCIENCE BV, Vol. 290, No. 1-2, p. 69-79, 1993/06
  • First-principles molecular dynamics method (Car-Parrinello Method), Y. Morikawa,K. Terakura, Vol. 48, pp428-437, 1993/06
  • First-principles Molecular Dynamics Study of Alkali-metal Adsorption on a Si(001) Surface, Y. Morikawa,K. Kobayashi,K. Terakura, Surf. Sci. 283, pp377-382., Vol. 283, pp377-382, 1993/03
  • Coverage-dependent Core-Level Binding-energy Shifts of Alkali-metal Atoms on Metal Surfaces, X. Shi,D. Tang,D. Heskett,K.-D. Tsuei,H. Ishida,Y. Morikawa,K. Terakura, Phys. Rev. B 47, pp4014-4017., Vol. 47, pp4014-4017, 1993/02
  • First-principles molecylar dynamics method and its application to clean and adsorbed Si(001) surfaces, Y. Morikawa,K. Inoue,K. Terakura, Vol. 14, pp2-9, 1993/02
  • COVERAGE-DEPENDENT CORE-LEVEL BINDING-ENERGY SHIFTS OF ALKALI-METAL ATOMS ON METAL-SURFACES, SHI, X,D TANG,D HESKETT,KD TSUEI,H ISHIDA,Y MORIKAWA,K TERAKURA, PHYSICAL REVIEW B, AMER PHYSICAL SOC, Vol. 47, No. 7, p. 4014-4017, 1993/02
  • 第一原理分子動力学法とそのSi(001)清浄表面・吸着面への応用, 表面科学, 14, pp2-9., Vol. 14, pp2-9, 1993
  • 第一原理分子動力学法(カー・パリネロ法), 日本物理学会誌, 48, pp428-437., Vol. 48, pp428-437, 1993
  • ALKALI-METAL ADSORPTION ON THE SI(001) SURFACE, Y MORIKAWA,K KOBAYASHI,K TERAKURA, INTERATOMIC POTENTIAL AND STRUCTURAL STABILITY, SPRINGER-VERLAG BERLIN, Vol. 114, p. 98-111, 1993
  • ORDER-DISORDER PHASE-TRANSITION ON THE SI(001) SURFACE, K INOUE,Y MORIKAWA,K TERAKURA,M NAKAYAMA, INTERATOMIC POTENTIAL AND STRUCTURAL STABILITY, SPRINGER-VERLAG BERLIN, Vol. 114, p. 77-87, 1993
  • STRUCTURAL AND VIBRATIONAL PROPERTIES OF ALKALI OVERLAYERS ON METALS, H ISHIDA,Y MORIKAWA, INTERATOMIC POTENTIAL AND STRUCTURAL STABILITY, SPRINGER-VERLAG BERLIN, Vol. 114, p. 112-120, 1993
  • First-principles Molecular Dynamics Study of Alkali-metal Adsorption on a Si(001) Surface, Surf. Sci. 283, pp377-382., Vol. 283, pp377-382, 1993
  • AB-INITIO MOLECULAR-DYNAMICS STUDY OF AL ADSORPTION ON THE SI(001) SURFACE, T YAMASAKI,M IKEDA,Y MORIKAWA,K TERAKURA, COMPUTER AIDED INNOVATION OF NEW MATERIALS II, PTS 1 AND 2, ELSEVIER SCIENCE PUBL B V, Vol. p. 125-128, p. 125-128, 1993
  • OPTIMIZED STRUCTURES AND ELECTRONIC-PROPERTIES OF ALKALI-METAL (NA,K)-ADSORBED SI(001) SURFACES, K KOBAYASHI,Y MORIKAWA,K TERAKURA,S BLUGEL, PHYSICAL REVIEW B, AMER PHYSICAL SOC, Vol. 45, No. 7, p. 3469-3484, 1992/02
  • Optimized Structures and Electronic Properties of Alkali-metal (Na, K)-Adsorbed Si(001) Surfaces, K. Kobayashi,Y. Morikawa,K. Terakura,S. Bluegel, Phys. Rev. B 45, pp3469-3484., Vol. 45, No. 7, p. 3469-3484, 1992/02
  • Chemisorption and Thermal Decomposition of Benzene on Pd(110): High-Resolution Electron Energy Loss Spectroscopy, Low-Energy Electron Diffraction, and Thermal Desorption Studies, M. Fujisawa,T. Sekitani,Y. Morikawa,M. Nishijima, J. Phys. Chem. 95, pp7415-7422, Vol. 95, pp7415-7422, 1991/09
  • CHEMISORPTION AND THERMAL-DECOMPOSITION OF BENZENE ON PD(110) - HIGH-RESOLUTION ELECTRON-ENERGY LOSS SPECTROSCOPY, LOW-ENERGY ELECTRON-DIFFRACTION, AND THERMAL-DESORPTION STUDIES, M FUJISAWA,T SEKITANI,Y MORIKAWA,M NISHIJIMA, JOURNAL OF PHYSICAL CHEMISTRY, AMER CHEMICAL SOC, Vol. 95, No. 19, p. 7415-7422, 1991/09
  • THEORETICAL SUPPORT TO THE DOUBLE-LAYER MODEL FOR POTASSIUM ADSORPTION ON THE SI(001) SURFACE, Y MORIKAWA,K KOBAYASHI,K TERAKURA,S BLUGEL, PHYSICAL REVIEW B, AMER PHYSICAL SOC, Vol. 44, No. 7, p. 3459-3462, 1991/08
  • THEORETICAL SUPPORT TO THE DOUBLE-LAYER MODEL FOR POTASSIUM ADSORPTION ON THE SI(001) SURFACE, Y MORIKAWA,K KOBAYASHI,K TERAKURA,S BLUGEL, PHYSICAL REVIEW B, AMER PHYSICAL SOC, Vol. 44, No. 7, p. 3459-3462, 1991/08
  • Angle-resolved Photoemission from Nd2-xCexCuO4(001) - a Dispersive Bandlike Fermi-Liquid State of Cu 3D Character Near the Fermi Level, Y.Sakisaka,T. Maruyama,Y. Morikawa,H. Kato,K. Edamoto,M. Okusawa,Y. Aiura,H. Yanashima,T. Terashima,Y. Bando,K. Iijima,K. Yamamoto,K. Hirata, Phys. Rev. B 42, pp4189-4195., AMERICAN PHYSICAL SOC, Vol. 42, No. 7, p. 4189-4195, 1990/09
  • ANGLE-RESOLVED PHOTOEMISSION FROM ND2-XCEXCUO4(001) - A DISPERSIVE BANDLIKE FERMI-LIQUID STATE OF CU 3D CHARACTER NEAR THE FERMI LEVEL, Y SAKISAKA,T MARUYAMA,Y MORIKAWA,H KATO,K EDAMOTO,M OKUSAWA,Y AIURA,H YANASHIMA,T TERASHIMA,Y BANDO,K IIJIMA,K YAMAMOTO,K HIRATA, PHYSICAL REVIEW B, AMERICAN PHYSICAL SOC, Vol. 42, No. 7, p. 4189-4195, 1990/09
  • Angle-resolved Photoemission from Epitaxial Nd2-xCexCuO4(001) Films, Y. Sakisaka,T. Maruyama,Y. Morikawa,H. Kato,K. Edamoto,M. Okusawa,Y. Aiura,H. Yanashima,T. Terashima,Y. Bando,K. Iijima,K. Yamamoto,K. Hirata, Solid State Commun. 74, pp609-611, PERGAMON-ELSEVIER SCIENCE LTD, Vol. 74, No. 7, p. 609-611, 1990/05
  • ANGLE-RESOLVED PHOTOEMISSION FROM EPITAXIAL ND2-XCEXCUO4(001) FILMS, Y SAKISAKA,T MARUYAMA,Y MORIKAWA,H KATO,K EDAMOTO,M OKUSAWA,Y AIURA,H YANASHIMA,T TERASHIMA,Y BANDO,K IIJIMA,K YAMAMOTO,K HIRATA, SOLID STATE COMMUNICATIONS, PERGAMON-ELSEVIER SCIENCE LTD, Vol. 74, No. 7, p. 609-611, 1990/05

Publications

  • 3D local structure and functionality design of materials, H. Daimon,Y. Sasaki,H. Ishii,D. Oka,Y. Kubozono,K. Gohara,N. Kobayashi,Y. Sasaki,H. Shiotani,H. Daimon,Y. Takano,K. Hayashi,K. Hirose,T. Fukumura,F. Matsui,T. Matsushita,Y. Morikawa,J. Yamasaki,Y. Yamada,Y. Wakabayashi, World Scientific Publishing and Maruzen Publishing, ISBN:9789813273665, 2019/03
  • 3D Local Structure and Functionality Design of Materials, H. Ishii,D. Oka,Y. Kubozono,K. Gohara,N. Kobayashi,Y. Sasaki,H. Shiotani,H. Daimon,Y. Takano,K. Hayashi,K. Hirose,T. Fukumura,F. Matsui,T. Matsuhshita,Y. Morikawa,J. Yamazaki,H. Yamada,Y. Wakabayashi, World Scientific Publishing Co Pte. Ltd, ISBN:9813273666, 2019/01
  • 密度汎関数理論を用いた触媒反応の研究 −van der Waals 密度汎関数を中心に−, 濱本雄治,稲垣耕司,木﨑栄年,森川良忠,濱田幾太郎, 株式会社 アグネ技術センター, 2017/08
  • Introduction to Functional Structure Science, 3D Active Sites and Materials Design, H. Daimon,Y. Sasaki,H. Ishii,D. Oka,Y. Kubozono,K. Gohara,N. Kobayashi,Y. Sasaki,H. Shiotani,H. Daimon,Y. Takano,K. Hayashi,K. Hirose,T. Fukumura,F. Matsui,T. Matsushita,Y. Morikawa,J. Yamasaki,Y. Yamada,Y. Wakabayashi, Maruzen, 2016/07
  • ALearner's Guide to Surface Science: Problems and Commentaries, Yoshitada Morikawa,ctiv, Kyoritsu, 2013/10
  • Fundamentals of Surface Science, Yoshitada Morikawa,ctiv, Kyoritsu, ISBN:9784320033733, 2013/06
  • The Molecule-Metal Interface, Chap. 3 Understanding the Metal-Molecule Interface from First Principles, Leeor Kronik,Yoshitada Morikawa,ctive, Wiley, ISBN:9783527410606, 2013/02
  • Progress in Density Functional Theory, Yoshitada Morikawa,ctiv, Maruzen, ISBN:9784621063088, 2012/06
  • Simulation Dictionary, Yoshitada Morikawa,Collective writing, Corona publishing co. ltd, ISBN:9784339024586, 2012/02
  • Introduction to Computational Materials Design --From the Basics to Actual Applications--, H. Kasai,H. Akai,H. Katayama-Yoshida (E,H. Akai,T. Oguchi,M. Ogura,T. Ono,H. Kasai,K. Kusakabe,K. Sato,K. Shirai,W.A.T. Dino,N. Hamada,K. Hirose,Y. Morikawa,A. Yanase,H. Katayama-Yoshida, Osaka University Press, 2005/10

Works

  • 新型多機能ナノチューブデバイスのデザイン, 2010 -

Awards

  • Japan Society of Applied Physics, Kansai Chapter, Contribution Award, Yoshitada Morikawa, Japan Society of Applied Physics, 2020/03
  • Outstanding Paper Award in Silicon Technology Division, the Japan Society of Applied Physics, Kazuo Tsutsui,Tomohiro Matsushita,Kotaro Natori,Takayuki Muro,Yoshitada Morikawa,Takuya Hoshii,Kuniyuki Kakushima,Hitoshi Wakabayashi,Kouichi Hayashi,Fumihiko Matsui,Toyohiko Kinoshita, Silicon Technology Division, The Japan Society of Applied Physics, 2019/03
  • Fellow of the Japan Society of Vacuum and Surface Science, Yoshitada Morikawa, The Japan Society of Vacuum and Surface Science, 2018/05
  • 14th JPS Award for Academic Papers on Physics, Yoshitada Morikawa,with Ikutaro Hamada,Minoru Otani,Osamu Sugino,Yasuharu Okamoto,Tamio Ikeshoji, The Physical Society of Japan, 2009/03
  • 第14回日本物理学会論文賞, 2009

Academic Activities

  • 公開ワークショップ 2つの大学で国際的に学位取得を目指すには, 大阪大学アジア人材育成研究教育拠点(CAREN), 2018/03 -