Interlayer Hydrogen Recombination from Hydrogen Boride Nanosheets Elucidated by Isotope Labeling

Shin-ichi Ito, Kurt Irvin M. Rojas, Yukihiro Yasuda, Natsumi Noguchi, Kosei Fukuda, Miwa Hikichi, Zihao Kang, Mei Yuan, Ryuki Tsuji, Osamu Oki, Susmita Roy, Yasuyuki Hikita, Iwao Matsuda, Masahiro Miyauchi, Ikutaro Hamada, Takahiro Kondo

The Journal of Physical Chemistry Letters　Vol. 15　No. 44　p. 10965-10976　2024/10/25　Research paper (scientific journal)

Van der Waals density functional study of n -alkane adsorbed on metal surfaces

Yuji Hamamoto, Takanori Shimada, Tomohiro Kimura, Kouji Inagaki, Ikutaro Hamada, Yoshitada Morikawa

Physical Review B　2024/08/07　Research paper (scientific journal)

Atomic-precision control of plasmon-induced single-molecule switching in a metal–semiconductor nanojunction

Youngwook Park, Ikutaro Hamada, Adnan Hammud, Takashi Kumagai, Martin Wolf, Akitoshi Shiotari

Nature Communications　Vol. 15　No. 1　2024/08/07　Research paper (scientific journal)

Electrolytic Hydrogen Release from Hydrogen Boride Sheets

Satoshi Kawamura, Akira Yamaguchi, Keisuke Miyazaki, Shin‐ichi Ito, Norinobu Watanabe, Ikutaro Hamada, Takahiro Kondo, Masahiro Miyauchi

Small　2024/07　Research paper (scientific journal)

Origin of the surface facet dependence in the thermal degradation of the diamond (111) and (100) surfaces in vacuum investigated by machine learning molecular dynamics simulations

John Isaac G. Enriquez, Harry Handoko Halim, Takahiro Yamasaki, Masato Michiuchi, Kouji Inagaki, Masaaki Geshi, Ikutaro Hamada, Yoshitada Morikawa

Carbon　Vol. 226　p. 119223-119223　2024/06　Research paper (scientific journal)

Wide-range thermal conductivity modulation based on protonated nickelate perovskite oxides

Hao-Bo Li, Zhiping Bian, Mitsuki Yoshimura, Kohei Shimoyama, Chengchao Zhong, Keiji Shimoda, Azusa N. Hattori, Kunihiko Yamauchi, Ikutaro Hamada, Hiromichi Ohta, Hidekazu Tanaka

Applied Physics Letters　2024/05/06　Research paper (scientific journal)

Origin of the Surface Facet Dependence in the Oxidative Etching of the Diamond (111) and (100) Surfaces from First-Principles Calculations

John Isaac G. Enriquez, Takahiro Yamasaki, Masato Michiuchi, Kouji Inagaki, Masaaki Geshi, Ikutaro Hamada, Yoshitada Morikawa

The Journal of Physical Chemistry C　2024/04/18　Research paper (scientific journal)

Stability of PdxOy Particles Supported on Strontium Titanate Perovskite under Three-Way Catalyst Operating Conditions: Implications for Sintering Resistance

Thanh Ngoc Pham, Beatriz Andrea Choi Tan, Yuji Hamamoto, Kouji Inagaki, Ikutaro Hamada, Yoshitada Morikawa

ACS Catalysis　2024/02/02　Research paper (scientific journal)

Single-molecule tip-enhanced Raman spectroscopy of C₆₀ on the Si(111)-(7 × 7) surface

Borja Cirera, Shuyi Liu, Youngwook Park, Ikutaro Hamada, Martin Wolf, Akitoshi Shiotari, Takashi Kumagai

Physical Chemistry Chemical Physics　Vol. 26　No. 32　p. 21325-21331　2024　Research paper (scientific journal)

Effect of fluorine substitution on the electronic states and conductance of CuPc on Cu(100)

H. Okuyama, S. Kuwayama, S. Hatta, T. Aruga, Y. Hamamoto, T. Shimada, I. Hamada, Y. Morikawa

Applied Surface Science　2024/01　Research paper (scientific journal)

First-Principles Microkinetic Study of NO Reduction on Cu Catalysts

Muhammad Rifqi Al Fauzan, Thanh Ngoc Pham, Harry Handoko Halim, Yuji Hamamoto, Kouji Inagaki, Ikutaro Hamada, Yoshitada Morikawa

The Journal of Physical Chemistry C　2023/10/05　Research paper (scientific journal)

Electronic and optical properties of the hydrogen boride sheet from the many-body perturbation theory

Luong Thi Ta, Yoshitada Morikawa, Ikutaro Hamada

JOURNAL OF PHYSICS-CONDENSED MATTER　Vol. 35　No. 43　2023/10　Research paper (scientific journal)

Controlling Photoinduced H-2 Release from Freestanding Borophane Sheets Under UV Irradiation by Tuning B-H Bonds

Miwa Hikichi, Junpei Takeshita, Natsumi Noguchi, Shin-ichi Ito, Yukihiro Yasuda, Luong Thi Ta, Kurt Irvin M. Rojas, Iwao Matsuda, Satoshi Tominaka, Yoshitada Morikawa, Ikutaro Hamada, Masahiro Miyauchi, Takahiro Kondo

ADVANCED MATERIALS INTERFACES　Vol. 10　No. 25　2023/09　Research paper (scientific journal)

Oxygen Reduction Reaction on Single-Atom Catalysts From Density Functional Theory Calculations Combined with an Implicit Solvation Model

Azim Fitri Zainul Abidin, Ikutaro Hamada

JOURNAL OF PHYSICAL CHEMISTRY C　Vol. 127　No. 28　p. 13623-13631　2023/07　Research paper (scientific journal)

Hydrogen-induced insulating state accompanied by interlayer charge ordering in SmNiO3

Kunihiko Yamauchi, Ikutaro Hamada

PHYSICAL REVIEW B　Vol. 108　No. 4　2023/07　Research paper (scientific journal)

The quantitative study of methane adsorption on the Pt(997) step surface as the initial process for reforming reactions

Young Hyun Choi, Septia Eka Marsha Putra, Yuichiro Shiozawa, Shunsuke Tanaka, Kozo Mukai, Ikutaro Hamada, Yoshitada Morikawa, Jun Yoshinobu

SURFACE SCIENCE　Vol. 732　p. 122284-122284　2023/06　Research paper (scientific journal)

Effects of electron charging and magnetization configuration on the electronic properties of Ni/C-60/Ni single molecule transistors

Kenji Yoshida, Ikutaro Hamada, Kazuhiko Hirakawa

APPLIED PHYSICS EXPRESS　Vol. 15　No. 12　2022/12　Research paper (scientific journal)

Tunable Proton Diffusion in NdNiO3 Thin Films under Regulated Lattice Strains

Umar Sidik, Azusa N. Hattori, Ken Hattori, Musa Alaydrus, Ikutaro Hamada, Liliany N. Pamasi, Hidekazu Tanaka

ACS APPLIED ELECTRONIC MATERIALS　Vol. 4　No. 10　p. 4849-4856　2022/10/25　Research paper (scientific journal)

Nanoscale coherent phonon spectroscopy

Shuyi Liu, Adnan Hammud, Ikutaro Hamada, Martin Wolf, Melanie Mueller, Takashi Kumagai

SCIENCE ADVANCES　Vol. 8　No. 42　2022/10/21　Research paper (scientific journal)

Carbon dioxide adsorption and conversion to methane and ethane on hydrogen boride sheets

Taiga Goto, Shin-ichi Ito, Satish Laxman Shinde, Ryota Ishibiki, Yasuyuki Hikita, Iwao Matsuda, Ikutaro Hamada, Hideo Hosono, Takahiro Kondo

COMMUNICATIONS CHEMISTRY　Vol. 5　No. 1　p. 118-118　2022/10/04　Research paper (scientific journal)

Comparative density functional theory study for predicting oxygen reduction activity of single-atom catalyst

Azim Fitri Zainul Abidin, Ikutaro Hamada

SURFACE SCIENCE　Vol. 724　2022/10　Research paper (scientific journal)

Charging/discharging mechanism in Mg3Bi2 anode for Mg-ion batteries; The role of the spin-orbit coupling

M. Hussein N. Assadi, Christopher J. Kirkham, Ikutaro Hamada, Dorian A. H. Hanaor

CHEMICAL PHYSICS LETTERS　Vol. 801　2022/08　Research paper (scientific journal)

Density functional theory study of NO-H2O coadsorption on Cu(111)

Thanh Ngoc Pham, Yuji Hamamoto, Kouji Inagaki, Ikutaro Hamada, Yoshitada Morikawa

PHYSICAL REVIEW MATERIALS　Vol. 6　No. 7　2022/07/25　Research paper (scientific journal)

Hydrogenation of Formate Species Using Atomic Hydrogen on a Cu(111) Model Catalyst

Kotaro Takeyasu, Yasutaka Sawaki, Takumi Imabayashi, Septia Eka Marsha Putra, Harry Handoko Halim, Jiamei Quan, Yuji Hamamoto, Ikutaro Hamada, Yoshitada Morikawa, Takahiro Kondo, Tadahiro Fujitani, Junji Nakamura

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY　Vol. 144　No. 27　p. 12158-12166　2022/07/13　Research paper (scientific journal)

Hybridization-Induced Image Potential States with Large Effective Mass in Lead Phthalocyanine Overlayers on Graphene

Yuji Hamamoto, Hiroyuki Sawada, Sasfan Arman Wella, Kouji Inagaki, Ikutaro Hamada, Yoshitada Morikawa

JOURNAL OF PHYSICAL CHEMISTRY C　2022/06　Research paper (scientific journal)

Phonon dispersion of the organic semiconductor rubrene

Kenta Takada, Kohei Yoshimi, Satoshi Tsutsui, Koji Kimura, Kouichi Hayashi, Ikutaro Hamada, Susumu Yanagisawa, Naotaka Kasuya, Shun Watanabe, Jun Takeya, Yusuke Wakabayashi

PHYSICAL REVIEW B　Vol. 105　No. 20　2022/05/25　Research paper (scientific journal)

Electrical Double Layer on the Pt(111) Electrode Modeled under Ultrahigh Vacuum Conditions

Keita Okuda, Musa Alaydrus, Nagahiro Hoshi, Ikutaro Hamada, Masashi Nakamura

JOURNAL OF PHYSICAL CHEMISTRY C　Vol. 126　No. 9　p. 4726-4732　2022/03/10　Research paper (scientific journal)

A comparative study on the stability of the furfural molecule on the low index Ni, Pd and Pt surfaces

Alveena Z. Khan, Jacob Alitt, Rhiannon Germaney, Ikutaro Hamada, Peter P. Wells, Nikolaos Dimitratos, C. Richard A. Catlow, Alberto Villa, Arunabhiram Chutia

ROYAL SOCIETY OPEN SCIENCE　Vol. 9　No. 3　2022/03　Research paper (scientific journal)

Interaction of water with nitrogen-doped graphene

Azim Fitri Zainul Abidin, Ikutaro Hamada

PHYSICAL REVIEW B　Vol. 105　No. 7　2022/02/17　Research paper (scientific journal)

Polarization-dependent Bulk-sensitive Valence Band Photoemission Spectroscopy and Density Functional Theory Calculations: Part III. 5d Transition Metals

Shigenori Ueda, Ikutaro Hamada

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN　Vol. 91　No. 2　2022/02/15　Research paper (scientific journal)

Elucidating the roles of the Fe-Nx active sites and pore characteristics on Fe-Pani-biomass-derived RGO as oxygen reduction catalysts in PEMFCs

Wulandhari Sudarsono, Wai Yin Wong, Kee Shyuan Loh, Kuan-Ying Kok, Nirwan Syarif, Azim Fitri Zainul Abidin, Ikutaro Hamada

MATERIALS RESEARCH BULLETIN　Vol. 145　2022/01　Research paper (scientific journal)

Adsorption of CO2 on Terrace, Step, and Defect Sites on Pt Surfaces: A Combined TPD, XPS, and DFT Study

YeeJie Wong, Young Hyun Choi, Shunsuke Tanaka, Haruka Yoshioka, Kozo Mukai, Harry H. Halim, Abdul Rahman Mohamed, Kouji Inagaki, Yuji Hamamoto, Ikutaro Hamada, Jun Yoshinobu, Yoshitada Morikawa

JOURNAL OF PHYSICAL CHEMISTRY C　Vol. 125　No. 43　p. 23657-23668　2021/11/04　Research paper (scientific journal)

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

JOURNAL OF PHYSICAL CHEMISTRY C　Vol. 125　No. 40　p. 21902-21913　2021/10/14　Research paper (scientific journal)

Isotope effect of methane adsorbed on fcc metal (111) surfaces

Septia Eka Marsha Putra, Yoshitada Morikawa, Ikutaro Hamada

CHEMICAL PHYSICS LETTERS　Vol. 780　p. 138943-138943　2021/10　Research paper (scientific journal)

Mechanistic insight into oxygen vacancy migration in SrFeO3-delta from DFT+U simulations

Musa Alaydrus, Ikutaro Hamada, Yoshitada Morikawa

PHYSICAL CHEMISTRY CHEMICAL PHYSICS　Vol. 23　No. 34　p. 18628-18639　2021/09　Research paper (scientific journal)

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　Vol. 23　No. 31　p. 16880-16887　2021/08　Research paper (scientific journal)

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　Vol. 5　No. 7　2021/07/06　Research paper (scientific journal)

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　Vol. 2　No. 1　2021/07　Research paper (scientific journal)

Adsorption of toxic gases on borophene: surface deformation links to chemisorptions

Luong Thi Ta, Ikutaro Hamada, Yoshitada Morikawa, Van An Dinh

RSC ADVANCES　Vol. 11　No. 30　p. 18279-18287　2021/06　Research paper (scientific journal)

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　Vol. 17　No. 20　p. 2008010-2008010　2021/05/23　Research paper (scientific journal)

Quantum Nuclei at Weakly Bonded Interfaces: The Case of Cyclohexane on Rh(111)

Karen Fidanyan, Ikutaro Hamada, Mariana Rossi

ADVANCED THEORY AND SIMULATIONS　Vol. 4　No. 4　p. 2000241-2000241　2021/04/14　Research paper (scientific journal)

Oxidative etching mechanism of the diamond (100) surface

John Isaac Enriquez, Fahdzi Muttaqien, Masato Michiuchi, Kouji Inagaki, Masaaki Geshi, Ikutaro Hamada, Yoshitada Morikawa

CARBON　Vol. 174　p. 36-51　2021/04　Research paper (scientific journal)

Polarization Dependent Bulk-sensitive Valence Band Photoemission Spectroscopy and Density Functional Theory Calculations: Part II. 4d Transition Metals

Shigenori Ueda, Ikutaro Hamada

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN　Vol. 90　No. 3　2021/03/15　Research paper (scientific journal)

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　Vol. 6　No. 8　p. 5183-5196　2021/03/02　Research paper (scientific journal)

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　Vol. 20　No. 11　p. 8339-8345　2020/11/11　Research paper (scientific journal)

Polarity reversal of the charge carrier in tetragonal TiHx (x = 1.6-2.0) at low temperatures

Ryota Shimizu, Yuki Sasahara, Ikutaro Hamada, Hiroyuki Oguchi, Shohei Ogura, Tetsuroh Shirasawa, Miho Kitamura, Koji Horiba, Hiroshi Kumigashira, Shin-ichi Orimo, Katsuyuki Fukutani, Taro Hitosugi

PHYSICAL REVIEW RESEARCH　Vol. 2　No. 3　2020/09/22　Research paper (scientific journal)

Self-limiting processes in thermal atomic layer etching of nickel by hexafluoroacetylacetone

Abdulrahman H. Basher, Ikutaro Hamada, Satoshi Hamaguchi

JAPANESE JOURNAL OF APPLIED PHYSICS　Vol. 59　No. 9　p. 090905-090905　2020/09/01　Research paper (scientific journal)

Sengon wood-derived RGO supported Fe-based electrocatalyst with stabilized graphitic N-bond for oxygen reduction reaction in acidic medium

Wulandhari Sudarsono, Wai Yin Wong, Kee Shyuan Loh, Edy Herianto Majlan, Nirwan Syarif, Kuan-Ying Kok, Rozan Mohamad Yunus, Kean Long Lim, Ikutaro Hamada

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY　Vol. 45　No. 43　p. 23237-23253　2020/09　Research paper (scientific journal)

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　Vol. 124　No. 32　p. 17696-17701　2020/08/13　Research paper (scientific journal)

Dramatic Enhancement of Tip-Enhanced Raman Scattering Mediated by Atomic Point Contact Formation

Shuyi Liu, Borja Cirera, Yang Sun, Ikutaro Hamada, Melanie Mueller, Adnan Hammud, Martin Wolf, Takashi Kumagai

NANO LETTERS　Vol. 20　No. 8　p. 5879-5884　2020/08/12　Research paper (scientific journal)

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　Vol. 102　No. 7　2020/08/04　Research paper (scientific journal)

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　Vol. 152　No. 10　2020/03/14　Research paper (scientific journal)

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　Vol. 124　No. 5　p. 2968-2977　2020/02　Research paper (scientific journal)

Nanoscale first-principles electronic structure simulations of materials relevant to organic electronics

Susumu Yanagisawa, Ikutaro Hamada

Theoretical Chemistry for Advanced Nanomaterials: Functional Analysis by Computation and Experiment　p. 89-123　2020/01/01　Part of collection (book)

Resolving the Correlation between Tip-Enhanced Resonance Raman Scattering and Local Electronic States with 1 nm Resolution

Shuyi Liu, Melanie Mueller, Yang Sun, Ikutaro Hamada, Adnan Hammud, Martin Wolf, Takashi Kumagai

NANO LETTERS　Vol. 19　No. 8　p. 5725-5731　2019/08　Research paper (scientific journal)

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　No. 8　p. 722-729　2019/08　Research paper (scientific journal)

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

JOURNAL OF CHEMICAL PHYSICS　Vol. 150　No. 15　2019/04　Research paper (scientific journal)

Enhancing the cycle life of Li-S batteries by designing a free-standing cathode with excellent flexible, conductive, and catalytic properties

Qian Lu, Yang Sun, Kaiming Liao, Xiaohong Zou, Ikutaro Hamada, Wei Zhou, Meng Ni, Zongping Shao

ELECTROCHIMICA ACTA　Vol. 298　p. 421-429　2019/03　Research paper (scientific journal)

Platinum single-atom adsorption on graphene: a density functional theory study

Sasfan Arman Wella, Yuji Hamamoto, Suprijadi, Yoshitada Morikawa, Ikutaro Hamada

NANOSCALE ADVANCES　Vol. 1　No. 3　p. 1165-1174　2019/03　Research paper (scientific journal)

Geometric and Electronic Structures of Acene Crystals: A van der Waals Density Functional Theory Study

Ryota Miyazaki, Ikutaro Hamada

JOURNAL OF COMPUTER CHEMISTRY-JAPAN　Vol. 18　No. 5　p. 205-207　2019　Research paper (scientific journal)

Insight into the Solvation Structure of Tetraglyme-Based Electrolytes via First-Principles Molecular Dynamics Simulation

Yang Sun, Ikutaro Hamada

JOURNAL OF PHYSICAL CHEMISTRY B　Vol. 122　No. 43　p. 10014-10022　2018/11　Research paper (scientific journal)

Terahertz dynamics of electron-vibron coupling in single molecules with tunable electrostatic potential

Shaoqing Du, Kenji Yoshida, Ya Zhang, Ikutaro Hamada, Kazuhiko Hirakawa

NATURE PHOTONICS　Vol. 12　No. 10　p. 608-+　2018/10　Research paper (scientific journal)

Hydrogen adsorption on Pt(111) revisited from random phase approximation

Lei Yan, Yang Sun, Yoshiyuki Yamamoto, Shusuke Kasamatsu, Ikutaro Hamada, Osamu Sugino

JOURNAL OF CHEMICAL PHYSICS　Vol. 149　No. 16　p. 164702-164702　2018/10　Research paper (scientific journal)

Remarkable Enhancement in Hydrogenation Ability by Phosphidation of Ruthenium: Specific Surface Structure Having Unique Ru Ensembles

Shinya Furukawa, Yukihiko Matsunami, Ikutaro Hamada, Yasushi Hashimoto, Yasushi Sato, Takayuki Komatsu

ACS CATALYSIS　Vol. 8　No. 9　p. 8177-8181　2018/09　Research paper (scientific journal)

Direct observation of van der Waals two-dimensional crystal and small clusters of methane on copper surfaces

Takashi Kumagai, Janina N. Ladenthin, Ikutaro Hamada

PHYSICAL REVIEW MATERIALS　Vol. 2　No. 9　2018/09　Research paper (scientific journal)

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　Vol. 122　No. 22　p. 11814-11824　2018/06　Research paper (scientific journal)

Atomic-scale study of the formation of sodium-water complexes on Cu(110)

Akitoshi Shiotari, Hiroshi Okuyama, Shinichiro Hatta, Tetsuya Aruga, Ikutaro Hamada

PHYSICAL CHEMISTRY CHEMICAL PHYSICS　Vol. 20　No. 17　p. 12210-12216　2018/05　Research paper (scientific journal)

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　Vol. 255　2018/03

First-Principles Study of Electron Injection and Defects at the TiO2/CH3NH3PbI3 Interface of Perovskite Solar Cells

Jun Haruyama, Keitaro Sodeyama, Ikutaro Hamada, Liyuan Han, Yoshitaka Tateyama

JOURNAL OF PHYSICAL CHEMISTRY LETTERS　Vol. 8　No. 23　p. 5840-5847　2017/12　Research paper (scientific journal)

Polarization Dependent Bulk-sensitive Valence Band Photoemission Spectroscopy and Density Functional Theory Calculations: Part I. 3d Transition Metals

Shigenori Ueda, Ikutaro Hamada

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN　Vol. 86　No. 12　2017/12　Research paper (scientific journal)

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　Vol. 1　No. 6　2017/11　Research paper (scientific journal)

CO2 adsorption on the copper surfaces: van der Waals density functional and TPD studies

Fahdzi Muttaqien, Yuji Hamamoto, Ikutaro Hamada, Kouji Inagaki, Yuichiro Shiozawa, Kozo Mukai, Takanori Koitaya, Shinya Yoshimoto, Jun Yoshinobu, Yoshitada Morikawa

JOURNAL OF CHEMICAL PHYSICS　Vol. 147　No. 9　p. 094702-094702　2017/09　Research paper (scientific journal)

Desorption dynamics of CO2 from formate decomposition on Cu(111)

Fahdzi Muttaqien, Hiroyuki Oshima, Yuji Hamamoto, Kouji Inagaki, Ikutaro Hamada, Yoshitada Morikawa

CHEMICAL COMMUNICATIONS　Vol. 53　No. 66　p. 9222-9225　2017/08　Research paper (scientific journal)

Image potential states from the van der Waals density functional

Ikutaro Hamada, Yuji Hamamoto, Yoshitada Morikawa

JOURNAL OF CHEMICAL PHYSICS　Vol. 147　No. 4　p. 044708-044708　2017/07　Research paper (scientific journal)

Origins of the structural phase transitions in MoTe2 and WTe2

Hyun-Jung Kim, Seoung-Hun Kang, Ikutaro Hamada, Young-Woo Son

PHYSICAL REVIEW B　Vol. 95　No. 18　2017/05　Research paper (scientific journal)

Erratum: Improved modeling of electrified interfaces using the effective screening medium method (Physical Review B - Condensed Matter and Materials Physics (2013) 88 (155427) DOI: 10.1103/PhysRevB.88.155427)

Ikutaro Hamada, Osamu Sugino, Nicéphore Bonnet, Minoru Otani

Physical Review B　Vol. 88　No. 15　2017/03/06　Research paper (scientific journal)

Improved modeling of electrified interfaces using the effective screening medium method (Vol 88,155427, 2013)

Ikutaro Hamada, Osamu Sugino, Nicephore Bonnet, Minoru Otani

PHYSICAL REVIEW B　Vol. 95　No. 11　2017/03

The Solvation Structure of Lithium Ions in an Ether Based Electrolyte Solution from First-Principles Molecular Dynamics

Martin Callsen, Keitaro Sodeyama, Zdenek Futera, Yoshitaka Tateyama, Ikutaro Hamada

JOURNAL OF PHYSICAL CHEMISTRY B　Vol. 121　No. 1　p. 180-188　2017/01　Research paper (scientific journal)

Assessing the accuracy of the van der Waals density functionals for rare-gas and small molecular systems (vol 91, 195103, 2015)

Martin Callsen, Ikutaro Hamada

PHYSICAL REVIEW B　Vol. 95　No. 3　2017/01

Determination of geometric and electronic structures of organic crystals from first principles: Role of the molecular configuration on the electronic structure

Susumu Yanagisawa, Ikutaro Hamada

JOURNAL OF APPLIED PHYSICS　Vol. 121　No. 4　2017/01　Research paper (scientific journal)

Photoelectron Holographic Atomic Arrangement Imaging of Cleaved Bimetal-intercalated Graphite Superconductor Surface

Fumihiko Matsui, Ritsuko Eguchi, Saki Nishiyama, Masanari Izumi, Eri Uesugi, Hidenori Goto, Tomohiro Matsushita, Kenji Sugita, Hiroshi Daimon, Yuji Hamamoto, Ikutaro Hamada, Yoshitada Morikawa, Yoshihiro Kubozono

SCIENTIFIC REPORTS　Vol. 6　2016/11　Research paper (scientific journal)

Implementation and Validation of Fully Relativistic GW Calculations: Spin-Orbit Coupling in Molecules, Nanocrystals, and Solids

Peter Scherpelz, Marco Govoni, Ikutaro Hamada, Giulia Galli

JOURNAL OF CHEMICAL THEORY AND COMPUTATION　Vol. 12　No. 8　p. 3523-3544　2016/08　Research paper (scientific journal)

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　Vol. 93　No. 24　2016/06　Research paper (scientific journal)

Adsorption and reaction of H2S on Cu(110) studied using scanning tunneling microscopy

Akitoshi Shiotari, Hiroshi Okuyama, Shinichiro Hatta, Tetsuya Aruga, Ikutaro Hamada

PHYSICAL CHEMISTRY CHEMICAL PHYSICS　Vol. 18　No. 6　p. 4541-4546　2016/02　Research paper (scientific journal)

Tuning the van der Waals Interaction of Graphene with Molecules via Doping

Felix Huttmann, Antonio J. Martinez-Galera, Vasile Caciuc, Nicolae Atodiresei, Stefan Schumacher, Sebastian Standop, Ikutaro Hamada, Tim O. Wehling, Stefan Bluegel, Thomas Michely

PHYSICAL REVIEW LETTERS　Vol. 115　No. 23　2015/12　Research paper (scientific journal)

Recent progress in predicting structural and electronic properties of organic solids with the van der Waals density functional

Susumu Yanagisawa, Koji Okuma, Takeshi Inaoka, Ikutaro Hamada

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA　Vol. 204　p. 159-167　2015/10　Research paper (scientific journal)

A Single-Atom-Thick TiO2 Nanomesh on an Insulating Oxide

Takeo Ohsawa, Mitsuhiro Saito, Ikutaro Hamada, Ryota Shimizu, Katsuya Iwaya, Susumu Shiraki, Zhongchang Wang, Yuichi Ikuhara, Taro Hitosugi

ACS NANO　Vol. 9　No. 9　p. 8766-8772　2015/09　Research paper (scientific journal)

Assessing the accuracy of the van der Waals density functionals for rare-gas and small molecular systems

Martin Callsen, Ikutaro Hamada

PHYSICAL REVIEW B　Vol. 91　No. 19　2015/05　Research paper (scientific journal)

van der Waals density functional made accurate (vol 89, 121103, 2014)

Ikutaro Hamada

PHYSICAL REVIEW B　Vol. 91　No. 11　2015/03　Research paper (scientific journal)

Room-temperature-concerted switch made of a binary atom cluster

Eiichi Inami, Ikutaro Hamada, Keiichi Ueda, Masayuki Abe, Seizo Morita, Yoshiaki Sugimoto

NATURE COMMUNICATIONS　Vol. 6　2015/02　Research paper (scientific journal)

Improving the Description of Nonmagnetic and Magnetic Molecular Crystals via the van der Waals Density Functional

Masao Obata, Makoto Nakamura, Ikutaro Hamada, Tatsuki Oda

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN　Vol. 84　No. 2　2015/02　Research paper (scientific journal)

First principles study on solid oxygen using van der Waals density functional

Masao Obata, Ikutaro Hamada, Tatsuki Oda

20TH INTERNATIONAL CONFERENCE ON MAGNETISM, ICM 2015　Vol. 75　p. 771-778　2015　Research paper (international conference proceedings)

Origin of the band dispersion in a metal phthalocyanine crystal (Vol 90, 245141, 2014)

Susumu Yanagisawa, Kunihiko Yamauchi, Takeshi Inaoka, Tamio Oguchi, Ikutaro Hamada

PHYSICAL REVIEW B　Vol. 91　No. 3　2015/01　Research paper (scientific journal)

Origin of the band dispersion in a metal phthalocyanine crystal

Susumu Yanagisawa, Kunihiko Yamauchi, Takeshi Inaoka, Tamio Oguchi, Ikutaro Hamada

PHYSICAL REVIEW B　Vol. 90　No. 24　2014/12/23　Research paper (scientific journal)

Imaging the Evolution of d States at a Strontium Titanate Surface

Ikutaro Hamada, Ryota Shimizu, Takeo Ohsawa, Katsuya Iwaya, Tomihiro Hashizume, Masaru Tsukada, Kazuto Akagi, Taro Hitosugi

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY　Vol. 136　No. 49　p. 17201-17206　2014/12　Research paper (scientific journal)

Origin of the band dispersion in a metal phthalocyanine crystal

Susumu Yanagisawa, Kunihiko Yamauchi, Takeshi Inaoka, Tamio Oguchi, Ikutaro Hamada

PHYSICAL REVIEW B　Vol. 90　No. 24　2014/12　Research paper (scientific journal)

A theoretical insight on the interaction between Pt nanoparticles and hydroxylated graphene nanoflakes

Arunabhiram Chutia, Ikutaro Hamada, Michio Tokuyama

SURFACE SCIENCE　Vol. 628　p. 116-125　2014/10　Research paper (scientific journal)

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　Vol. 144　No. 4　p. 736-743　2014/04　Research paper (scientific journal)

van der Waals density functional made accurate

Ikutaro Hamada

PHYSICAL REVIEW B　Vol. 89　No. 12　2014/03　Research paper (scientific journal)

Dynamics of hydrogen in silicon

Koun Shirai, Ikutaro Hamada, Hiroshi Katayama-Yoshida

INTERNATIONAL CONFERENCE ON DEFECTS IN SEMICONDUCTORS 2013　Vol. 1583　p. 69-74　2014　Research paper (international conference proceedings)

Strongest pi-metal orbital coupling in a porphyrin/gold cluster system

Daisuke Tanaka, Yoko Inuta, Masanori Sakamoto, Akihiro Furube, Mitsutaka Haruta, Yeong-Gi So, Koji Kimoto, Ikutaro Hamada, Toshiharu Teranishi

CHEMICAL SCIENCE　Vol. 5　No. 5　p. 2007-2010　2014　Research paper (scientific journal)

Hellmann-Feynman Forces in the DFT plus U Method with Ultrasoft Pseudopotentials

Ikutaro Hamada

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN　Vol. 82　No. 10　2013/10　Research paper (scientific journal)

Improved modeling of electrified interfaces using the effective screening medium method

Ikutaro Hamada, Osamu Sugino, Nicephore Bonnet, Minoru Otani

PHYSICAL REVIEW B　Vol. 88　No. 15　2013/10　Research paper (scientific journal)

Implementation of van der Waals Density Functional Approach to the Spin-Polarized System: Interaction Potential between Oxygen Molecules

Masao Obata, Makoto Nakamura, Ikutaro Hamada, Tatsuki Oda

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN　Vol. 82　No. 9　2013/09　Research paper (scientific journal)

Highly sensitive spin-crossover transition in a metal-organic molecular crystal

Kunihiko Yamauchi, Ikutaro Hamada, Tamio Oguchi

Physical Review B - Condensed Matter and Materials Physics　Vol. 88　No. 3　2013/07/09　Research paper (scientific journal)

Highly sensitive spin-crossover transition in a metal-organic molecular crystal

Kunihiko Yamauchi, Ikutaro Hamada, Tamio Oguchi

PHYSICAL REVIEW B　Vol. 88　No. 3　2013/07　Research paper (scientific journal)

First-principles investigation on the segregation of Pd at LaFe1-xPdxO3-y surfaces

Zhi-xue Tian, Akifumi Uozumi, Ikutaro Hamada, Susumu Yanagisawa, Hidetoshi Kizaki, Kouji Inagaki, Yoshitada Morikawa

NANOSCALE RESEARCH LETTERS　Vol. 8　2013/05　Research paper (scientific journal)

Theoretical Analysis on the Optoelectronic Properties of Single Crystals of Thiophene-furan-phenylene Co-Oligomers: Efficient Photoluminescence due to Molecular Bending

Hiroyuki Tamura, Ikutaro Hamada, Hui Shang, Kazuaki Oniwa, Md. Akhtaruzzaman, Tienan Jin, Naold Asao, Yoshinori Yamamoto, Thangavel Kanagasekaran, Hidekazu Shimotani, Susumu Ikeda, Katsumi Tanigaki

JOURNAL OF PHYSICAL CHEMISTRY C　Vol. 117　No. 16　p. 8072-8078　2013/04　Research paper (scientific journal)

Inhibition of water dissociation on a pitted Pt(111) surface: First principles study

Yumin Qian, Ikutaro Hamada, Minoru Otani, Tamio Ikeshoji

CATALYSIS TODAY　Vol. 202　No. 1　p. 163-167　2013/03　Research paper (scientific journal)

Gate-Tunable Large Negative Tunnel Magnetoresistance in Ni-C-60-Ni Single Molecule Transistors

Kenji Yoshida, Ikutaro Hamada, Shuichi Sakata, Akinori Umeno, Masaru Tsukada, Kazuhiko Hirakawa

NANO LETTERS　Vol. 13　No. 2　p. 481-485　2013/02　Research paper (scientific journal)

Single crystal biphenyl end-capped furan-incorporated oligomers: influence of unusual packing structure on carrier mobility and luminescence

Kazuaki Oniwa, Thangavel Kanagasekaran, Tienan Jin, Md. Akhtaruzzaman, Yoshinori Yamamoto, Hiroyuki Tamura, Ikutaro Hamada, Hidekazu Shimotani, Naoki Asao, Susumu Ikeda, Katsumi Tanigaki

JOURNAL OF MATERIALS CHEMISTRY C　Vol. 1　No. 26　p. 4163-4170　2013　Research paper (scientific journal)

Search for a Self-Regenerating Perovskite Catalyst Using ab Initio Thermodynamics Calculations

Susumu Yanagisawa, Akifumi Uozumi, Ikutaro Hamada, Yoshitada Morikawa

JOURNAL OF PHYSICAL CHEMISTRY C　Vol. 117　No. 3　p. 1278-1286　2013/01　Research paper (scientific journal)

First-principles theoretical study of organic/metal interfaces: Vacuum level shifts and interface dipoles

Yoshitada Morikawa, Kenji Toyoda, Ikutaro Hamada, Susumu Yanagisawa, Kyuho Lee

CURRENT APPLIED PHYSICS　Vol. 12　No. SUPPL.3　p. S2-S9　2012/12　Research paper (scientific journal)

Adsorption of water on graphene: A van der Waals density functional study

Ikutaro Hamada

Physical Review B - Condensed Matter and Materials Physics　Vol. 86　No. 19　2012/11/30　Research paper (scientific journal)

Adsorption of water on graphene: A van der Waals density functional study

Ikutaro Hamada

PHYSICAL REVIEW B　Vol. 86　No. 19　2012/11　Research paper (scientific journal)

Role of lone pair and pi-orbital interaction in formation of water nanostructures confined in carbon nanotubes

Arunabhiram Chutia, Ikutaro Hamada, Michio Tokuyama

CHEMICAL PHYSICS LETTERS　Vol. 550　p. 118-124　2012/10　Research paper (scientific journal)

The charged interface between Pt and water: First principles molecular dynamics simulations

Tamio Ikeshoji, Minoru Otani, Ikutaro Hamada, Osamu Sugino, Yoshitada Morikawa, Yasuharu Okamoto, Yumin Qian, Ichizo Yagi

AIP ADVANCES　Vol. 2　No. 3　2012/09　Research paper (scientific journal)

Nature of hydrogen bonding in hydroxyl groups on a metal surface

Ikutaro Hamada, Takashi Kumagai, Akitoshi Shiotari, Hiroshi Okuyama, Shinichiro Hatta, Tetsuya Aruga

Physical Review B - Condensed Matter and Materials Physics　Vol. 86　No. 7　2012/08/13　Research paper (scientific journal)

Nature of hydrogen bonding in hydroxyl groups on a metal surface

Ikutaro Hamada, Takashi Kumagai, Akitoshi Shiotari, Hiroshi Okuyama, Shinichiro Hatta, Tetsuya Aruga

PHYSICAL REVIEW B　Vol. 86　No. 7　2012/08　Research paper (scientific journal)

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　2012/06/26　Research paper (scientific journal)

Structure and intermolecular bonding in NaBH 4•2H 2O: A density functional theory study

Ikutaro Hamada, Kunihiko Yamauchi, Tamio Oguchi

Physical Review B - Condensed Matter and Materials Physics　Vol. 85　No. 21　2012/06/20　Research paper (scientific journal)

Structure and intermolecular bonding in NaBH4 center dot 2H(2)O: A density functional theory study

Ikutaro Hamada, Kunihiko Yamauchi, Tamio Oguchi

PHYSICAL REVIEW B　Vol. 85　No. 21　2012/06　Research paper (scientific journal)

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　Vol. 85　No. 23　2012/06

Origin of nanomechanical motion in a single-C <inf>60</inf> transistor

Ikutaro Hamada, Masaaki Araidai, Masaru Tsukada

Physical Review B - Condensed Matter and Materials Physics　Vol. 85　No. 12　2012/03/05　Research paper (scientific journal)

Origin of nanomechanical motion in a single-C-60 transistor

Ikutaro Hamada, Masaaki Araidai, Masaru Tsukada

PHYSICAL REVIEW B　Vol. 85　No. 12　2012/03　Research paper (scientific journal)

H-atom relay reactions in real space

T. Kumagai, A. Shiotari, H. Okuyama, S. Hatta, T. Aruga, I. Hamada, T. Frederiksen, H. Ueba

Nature Materials　Vol. 11　No. 2　p. 167-172　2012　Research paper (scientific journal)

Water wetting on representative metal surfaces: Improved description from van der Waals density functionals

Ikutaro Hamada, Sheng Meng

CHEMICAL PHYSICS LETTERS　Vol. 521　p. 161-166　2012/01　Research paper (scientific journal)

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　Vol. 133　No. 46　p. 18506-18509　2011/11　Research paper (scientific journal)

Hydrogen-bond imaging and engineering with a scanning tunnelling microscope

Hiroshi Okuyama, Ikutaro Hamada

JOURNAL OF PHYSICS D-APPLIED PHYSICS　Vol. 44　No. 46　2011/11　Research paper (scientific journal)

Pseudopotential approximation in van derWaals density functional calculations

Ikutaro Hamada, Susumu Yanagisawa

PHYSICAL REVIEW B　Vol. 84　No. 15　2011/10　Research paper (scientific journal)

Role of van der Waals interaction in crystalline ammonia borane

Kunihiko Yamauchi, Ikutaro Hamada, Hongbin Huang, Tamio Oguchi

APPLIED PHYSICS LETTERS　Vol. 99　No. 18　2011/10　Research paper (scientific journal)

Adsorption of C60 on Au(111) revisited: A van der Waals density functional study

Ikutaro Hamada, Masaru Tsukada

Physical Review B - Condensed Matter and Materials Physics　Vol. 83　No. 24　2011/06/28　Research paper (scientific journal)

Adsorption of Alq3 on Mg(001) surface: Role of chemical bonding, molecular distortion, and van der Waals interaction

Susumu Yanagisawa, Ikutaro Hamada, Kyuho Lee, David C. Langreth, Yoshitada Morikawa

Physical Review B - Condensed Matter and Materials Physics　Vol. 83　No. 23　2011/06/13　Research paper (scientific journal)

Adsorption of C-60 on Au(111) revisited: A van der Waals density functional study

Ikutaro Hamada, Masaru Tsukada

PHYSICAL REVIEW B　Vol. 83　No. 24　2011/06　Research paper (scientific journal)

Adsorption of Alq(3) on Mg(001) surface: Role of chemical bonding, molecular distortion, and van der Waals interaction

Susumu Yanagisawa, Ikutaro Hamada, Kyuho Lee, David C. Langreth, Yoshitada Morikawa

PHYSICAL REVIEW B　Vol. 83　No. 23　2011/06　Research paper (scientific journal)

A density-functional theory study of water on clean and hydrogen preadsorbed Rh(111) surfaces

Ikutaro Hamada, Yoshitada Morikawa

JOURNAL OF CHEMICAL PHYSICS　Vol. 134　No. 15　2011/04　Research paper (scientific journal)

Density Functional Theoretical Study of Perfluoropentacene/Noble Metal Interfaces with van der Waals Corrections: Adsorption States and Vacuum Level Shifts

Kenji Toyoda, Ikutaro Hamada, Kyuho Lee, Susumu Yanagisawa, Yoshitada Morikawa

JOURNAL OF PHYSICAL CHEMISTRY C　Vol. 115　No. 13　p. 5767-5772　2011/04　Research paper (scientific journal)

Adsorption of Benzene on Noble Metal Surfaces Studied by Density Functional Theory with Van der Waals Correction

Kenji Toyoda, Ikutaro Hamada, Susumu Yanagisawa, Yoshitada Morikawa

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY　Vol. 11　No. 4　p. 2836-2843　2011/04　Research paper (scientific journal)

Density-functional theoretical study of fluorination effect on organic/metal interfaces

Kenji Toyoda, Ikutaro Hamada, Susumu Yanagisawa, Yoshitada Morikawa

ORGANIC ELECTRONICS　Vol. 12　No. 2　p. 295-299　2011/02　Research paper (scientific journal)

Water clusters on Cu(110): Chain versus cyclic structures

T. Kumagai, H. Okuyama, S. Hatta, T. Aruga, I. Hamada

Journal of Chemical Physics　Vol. 134　No. 2　2011/01/14　Research paper (scientific journal)

Reversible redox reaction and water configuration on a positively charged platinum surface: first principles molecular dynamics simulation

Tamio Ikeshoji, Minoru Otani, Ikutaro Hamada, Yasuharu Okamoto

PHYSICAL CHEMISTRY CHEMICAL PHYSICS　Vol. 13　No. 45　p. 20223-20227　2011　Research paper (scientific journal)

A van der Waals density functional study of ice Ih

Ikutaro Hamada

JOURNAL OF CHEMICAL PHYSICS　Vol. 133　No. 21　2010/12　Research paper (scientific journal)

Comparative van der Waals density-functional study of graphene on metal surfaces

Ikutaro Hamada, Minoru Otani

Physical Review B - Condensed Matter and Materials Physics　Vol. 82　No. 15　2010/10/26　Research paper (scientific journal)

Comparative van der Waals density-functional study of graphene on metal surfaces

Ikutaro Hamada, Minoru Otani

PHYSICAL REVIEW B　Vol. 82　No. 15　2010/10　Research paper (scientific journal)

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　Vol. 132　No. 13　2010/04　Research paper (scientific journal)

Interaction of water with a metal surface: Importance of van der Waals forces

Ikutaro Hamada, Kyuho Lee, Yoshitada Morikawa

PHYSICAL REVIEW B　Vol. 81　No. 11　2010/03　Research paper (scientific journal)

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 - Condensed Matter and Materials Physics　Vol. 81　No. 4　2010/01/06　Research paper (scientific journal)

Origin of Surface-Band Dispersion at the Pentacene/Cu Interface

Kenji Toyoda, Ikutaro Hamada, Susumu Yanagisawa, Yoshitada Morikawa

APPLIED PHYSICS EXPRESS　Vol. 3　No. 2　2010　Research paper (scientific journal)

Variational Density-Functional Perturbation Theory with Ultrasoft Pseudopotentials

Ikutaro Hamada, Tatsuki Oda, Naoshi Suzuki, Hiroshi Katayama-Yoshida

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE　Vol. 6　No. 12　p. 2550-2558　2009/12　Research paper (scientific journal)

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　Vol. 80　No. 16　2009/10　Research paper (scientific journal)

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　Vol. 603　No. 18　p. 2912-2922　2009/09　Research paper (scientific journal)

水の少数クラスターにおける水素結合交換の直接観測

熊谷 崇, 海津 政久, 奥山 弘, 八田 振一郎, 有賀 哲也, 濱田 幾太郎, 森川 良忠

表面科学　Vol. 30　No. 8　p. 448-453　2009/08　Research paper (scientific journal)

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　Vol. 174　No. 1-3　p. 78-84　2009/08　Research paper (scientific journal)

第一原理シミュレーションから見た電極界面と電荷移動反応 : 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

電気化学および工業物理化学 : denki kagaku　Vol. 77　No. 3　p. 241-247　2009/03/05

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

電気化学および工業物理化学 : denki kagaku　Vol. 77　No. 3　p. 248-252　2009/03/05

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 - Condensed Matter and Materials Physics　Vol. 79　No. 3　2009/01/05　Research paper (scientific journal)

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　Research paper (international conference proceedings)

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　Vol. 112　No. 44　p. 17486-17486　2008/11　Research paper (scientific journal)

Density-functional analysis of hydrogen on Pt(111): Electric field, solvent, and coverage effects

Ikutaro Hamada, Yoshitada Morikawa

JOURNAL OF PHYSICAL CHEMISTRY C　Vol. 112　No. 29　p. 10889-10898　2008/07　Research paper (scientific journal)

Theoretical study of vacuum level shift at the C6H6/Al(111) interface

Yosuke Nakano, Susumu Yanagisawa, Ikutaro Hamada, Yoshitada Morikawa

SURFACE AND INTERFACE ANALYSIS　Vol. 40　No. 6-7　p. 1059-1062　2008/06　Research paper (scientific journal)

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　Vol. 100　No. 16　2008/04/24　Research paper (scientific journal)

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　Research paper (scientific journal)

Electrode dynamics from first principles

Minoru Otani, Ikutaro Hamada, Osamu Sugino, Yoshitada Morikawa, Yasuharu Okamoto, Tamio Ikeshoji

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN　Vol. 77　No. 2　2008/02　Research paper (scientific journal)

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　Vol. 10　No. 25　p. 3609-3612　2008　Research paper (scientific journal)

First-principles molecular dynamics simulation of biased electrode/solution interface

Osamu Sugino, Ikutaro Hamada, Minoru Otani, Yoshitada Morikawa, Tanuo Ikeshoji, Yasuharu Okamoto

SURFACE SCIENCE　Vol. 601　No. 22　p. 5237-5240　2007/11　Research paper (scientific journal)

Ab initio materials design for transparent-conducting-oxide-based new-functional materials

H. Katayama-Yoshida, K. Sato, H. Kizaki, H. Funashima, I. Hamada, T. Fukushima, V. A. Dinh, M. Toyoda

Applied Physics A: Materials Science and Processing　Vol. 89　No. 1　p. 19-27　2007/10　Research paper (scientific journal)

Oxygen at high pressures: A theoretical approach to monoatomic phases

Oda, T., Sugimori, K., Nagao, H., Hamada, I., Kagayama, S., Geshi, M., Nagara, H., Kusakabe, K., Suzuki, N.

Journal of Physics Condensed Matter　Vol. 19　No. 36　p. 365211-365211　2007　Research paper (scientific journal)

Vibration problem of H in silicon

K. Shirai, I. Hamada, H. Katayama-Yoshida

Physica B: Condensed Matter　Vol. 376-377　No. 1　p. 41-44　2006/04/01　Research paper (international conference proceedings)

Energetics of native defects in CuAlO2

I. Hamada, H. Katayama-Yoshida

Physica B: Condensed Matter　Vol. 376-377　No. 1　p. 808-811　2006/04/01　Research paper (international conference proceedings)

Structure and magnetism of anion iron oxide clusters, FenO m-(n=3,4)

H. Shiroishi, T. Oda, I. Hamada, N. Fujima

Polyhedron　Vol. 24　No. 16-17　p. 2472-2476　2005/11/17　Research paper (international conference proceedings)

Ab initio study of native point defects in delafossite CuAlO2

Ikutaro Hamada, Katayama-Yoshida Hiroshi

AIP Conference Proceedings　Vol. 772　p. 191-192　2005/06/30　Research paper (international conference proceedings)

Structure and magnetism of anion iron oxide clusters FenO m-(n = l,2)

H. Shiroishi, T. Oda, I. Hamada, N. Fujima

Molecular Simulation　Vol. 30　No. 13-15　p. 911-915　2004/11/15　Research paper (international conference proceedings)

Structure and magnetism on iron oxide clusters FenOm (n = 1-5): Calculation from first principles

H. Shiroishi, T. Oda, I. Hamada, N. Fujima

European Physical Journal D　Vol. 24　No. 1-3　p. 85-88　2003/06　Research paper (international conference proceedings)

Possibility of pressure-induced superconductivity by phonon mechanism in Pd

Koshiro Yanai, Tomoki Takezawa, Ikutaro Hamada, Naoshi Suzuki

Physica C: Superconductivity and its Applications　Vol. 388-389　p. 569-570　2003/05　Research paper (international conference proceedings)

Association simulation by a metallic Car-Parrinello dynamics

Syuhei Kawamoto, Tatsuki Oda, Ikutaro Hamada

International Journal of Quantum Chemistry　Vol. 91　No. 2　p. 165-170　2003/01/15　Research paper (international conference proceedings)

First-principles calculation of lattice dynamics of bcc and hcp iron under high pressures

N. Suzuki, T. Souraku, I. Hamada, T. Takezawa

High Pressure Research　Vol. 22　No. 2　p. 451-454　2002　Research paper (scientific journal)