EN

基本情報

研究

社会活動

その他の活動

大戸 達彦

Ooto Tatsuhiko

基礎工学研究科 物質創成専攻,助教

研究内容・専門分野

  • ナノテク・材料,基礎物理化学

論文

  • Vibrational mode frequency correction of liquid water in density functional theory molecular dynamics simulations with van der Waals correction,Vol. 22,No. 22,p. 12785-12793,2020年05月,研究論文(学術雑誌)
  • Molecular Structure and Modeling of Water–Air and Ice–Air Interfaces Monitored by Sum-Frequency Generation,2020年04月22日,研究論文(学術雑誌)
  • Hydrogen Bonds and Molecular Orientations of Supramolecular Structure between Barbituric Acid and Melamine Derivative at the Air/Water Interface Revealed by Heterodyne-Detected Vibrational Sum Frequency Generation Spectroscopy,p. 2422-2429,2020年04月02日,研究論文(学術雑誌)
  • Decoding the molecular water structure at complex interfaces through surface-specific spectroscopy of the water bending mode,Vol. 22,No. 19,p. 10934-10940,2020年04月,研究論文(学術雑誌)
  • Mechanical switching of current-voltage characteristics in spiropyran single-molecule junctions,Vol. 12,No. 14,p. 7527-7531,2020年04月,研究論文(学術雑誌)
  • Effect of Graphene Encapsulation of NiMo Alloys on Oxygen Evolution Reaction,Vol. 10,p. 792-799,2020年01月03日,研究論文(学術雑誌)
  • Effects of cis–trans Conformation between Thiophene Rings on Conductance of Oligothiophenes,Tatsuhiko Ohto,Takuya Inoue,Helen Stewart,Yuichi Numai,Yoshio Aso,Yutaka Ie,Ryo Yamada,Hirokazu Tada,The Journal of Physical Chemistry Letters,American Chemical Society ({ACS}),2019年09月
  • Accessing the Accuracy of Density Functional Theory through Structure and Dynamics of the Water–Air Interface,Tatsuhiko Ohto,Mayank Dodia,Jianhang Xu,Sho Imoto,Fujie Tang,Frederik Zysk,Thomas D. K,ne,Yasuteru Shigeta,Mischa Bonn,Xifan Wu,Yuki Nagata,The Journal of Physical Chemistry Letters,American Chemical Society ({ACS}),2019年09月
  • Impact of intermolecular vibrational coupling effects on the sum-frequency generation spectra of the water/air interface,Naveen Kumar Kaliannan,Andres Henao Aristizabal,Hendrik Wiebeler,Frederik Zysk,Tatsuhiko Ohto,Yuki Nagata,Thomas D. Kühne,Molecular Physics,2019年05月
  • Chemical Dopants on Edge of Holey Graphene Accelerate Electrochemical Hydrogen Evolution Reaction,Akichika Kumatani,Chiho Miura,Hirotaka Kuramochi,Tatsuhiko Ohto,Mitsuru Wakisaka,Yuki Nagata,Hiroki Ida,Yasufumi Takahashi,Kailong Hu,Samuel Jeong,Jun‐ichi Fujita,Tomokazu Matsue,Yoshikazu Ito,Advanced Science,Vol. 6,2019年05月
  • Highly Planar and Completely Insulated Oligothiophenes: Effects of π-Conjugation on Hopping Charge Transport,Yutaka Ie,Yuji Okamoto,Takuya Inoue,Saori Tone,Takuji Seo,Yasushi Honda,Shoji Tanaka,See Kei Lee,Tatsuhiko Ohto,Ryo Yamada,Hirokazu Tada,Yoshio Aso,The Journal of Physical Chemistry Letters,American Chemical Society ({ACS}),2019年05月
  • Structure and Dynamics of Water at the Water–Air Interface Using First-Principles Molecular Dynamics Simulations. II. NonLocal vs Empirical van der Waals Corrections,Mayank Dodia,Tatsuhiko Ohto,Sho Imoto,Yuki Nagata,Journal of Chemical Theory and Computation,American Chemical Society ({ACS}),2019年05月
  • Three site molecular orbital controlled single-molecule rectifiers based on perpendicularly linked porphyrin–imide dyads,2019年,研究論文(学術雑誌)
  • Boosting electrochemical water splitting via ternary NiMoCo hybrid nanowire arrays,Kailong Hu,Mingxing Wu,Satoshi Hinokuma,Tatsuhiko Ohto,Mitsuru Wakisaka,Jun-ichi Fujita,Yoshikazu Ito,Journal of Materials Chemistry A,Royal Society of Chemistry ({RSC}),Vol. 7,No. 5,2019年01月
  • Large Hydrogen-Bond Mismatch between TMAO and Urea Promotes Their Hydrophobic Association,Wen Jun Xie,Seoncheol Cha,Tatsuhiko Ohto,Wataru Mizukami,Yuezhi Mao,Manfred Wagner,Mischa Bonn,Johannes Hunger,Yuki Nagata,Chem,Elsevier {BV},Vol. 4,No. 11,2018年11月
  • Graphene Layer Encapsulation of Non-Noble Metal Nanoparticles as Acid-Stable Hydrogen Evolution Catalysts,Hu Kailong,Ohto Tatsuhiko,Chen Linghan,Han Jiuhui,Wakisaka Mitsuru,Nagata Yuki,Fujita Jun-ichi,Ito Yoshikazu,ACS ENERGY LETTERS,American Chemical Society ({ACS}),Vol. 3,No. 7,p. 1539-1544,2018年07月
  • Definition of Free O-H Groups of Water at the Air-Water Interface,Vol. 14,No. 1,p. 357-364,2018年06月12日,研究論文(学術雑誌)
  • Aggregation-Induced Emission Enhancement from Disilane-Bridged Donor-Acceptor-Donor Luminogens Based on the Triarylamine Functionality,Vol. 10,No. 15,p. 12164-12172,2018年04月18日,研究論文(学術雑誌)
  • Cooperation between holey graphene and NiMo alloy for hydrogen evolution in an acidic electrolyte,Vol. 8,No. 4,p. 3579-3586,2018年04月06日,研究論文(学術雑誌)
  • Structure and Dynamics of Water at the Water–Air Interface Using First-Principles Molecular Dynamics Simulations within Generalized Gradient Approximation,Tatsuhiko Ohto,Mayank Dodia,Sho Imoto,Yuki Nagata,Journal of Chemical Theory and Computation,American Chemical Society ({ACS}),2018年
  • Single-molecule rectifiers based on voltage-dependent deformation of molecular orbitals in carbazole oligomers,Ryo Yamada,Ken Albrecht,Tatsuhiko Ohto,Keigo Minode,Kimihisa Yamamoto,Hirokazu Tada,Nanoscale,Royal Society of Chemistry ({RSC}),Vol. 10,No. 42,2018年
  • Orientational Distribution of Free O-H Groups of Interfacial Water is Exponential,Shumei Sun,Fujie Tang,Sho Imoto,Daniel R. Moberg,Tatsuhiko Ohto,Francesco Paesani,Mischa Bonn,Ellen H.{\hspace,m } }G. Backus,Yuki Nagata,Physical Review Letters,American Physical Society ({APS}),Vol. 121,No. 24,2018年
  • Structure and dynamics of water at water-graphene and water-hexagonal boron-nitride sheet interfaces revealed by: Ab initio sum-frequency generation spectroscopy,Vol. 20,No. 18,p. 12979-12985,2018年,研究論文(学術雑誌)
  • Magnetic field effect on pentacene-doped sexithiophene diodes,Vol. 111,No. 20,2017年11月,研究論文(学術雑誌)
  • Highly Luminescent 2D-Type Slab Crystals Based on a Molecular Charge-Transfer Complex as Promising Organic Light-Emitting Transistor Materials,Vol. 29,No. 36,2017年09月,研究論文(学術雑誌)
  • Electrochemical TERS Elucidates Potential-Induced Molecular Reorientation of Adenine/Au(111),Vol. 56,No. 33,p. 9796-9801,2017年08月,研究論文(学術雑誌)
  • Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence,Vol. 139,No. 32,p. 11214-11221,2017年08月,研究論文(学術雑誌)
  • Analysis of Single Molecule Conductance of Heterogeneous Porphyrin Arrays by Partial Transmission Probabilities,Vol. 2,No. 25,p. 7484-7488,2017年08月,研究論文(学術雑誌)
  • Electrochemical TERS Elucidates Potential-Induced Molecular Reorientation of Adenine/Au(111),Natalia Mart{\'{\i,n{\hspace,m } }Saban{\'{e } }s,Tatsuhiko Ohto,Denis Andrienko,Yuki Nagata,Katrin F. Domke,Angewandte Chemie,Wiley,Vol. 129,No. 33,2017年07月
  • Chemisorbed and Physisorbed Water at the TiO2/Water Interface,Vol. 8,No. 10,p. 2195-2199,2017年05月,研究論文(学術雑誌)
  • Trimethylamine-N-oxide: its hydration structure, surface activity, and biological function, viewed by vibrational spectroscopy and molecular dynamics simulations,Vol. 19,No. 10,p. 6909-6920,2017年03月,研究論文(学術雑誌)
  • pi(+)-pi(+) stacking of imidazolium cations enhances molecular layering of room temperature ionic liquids at their interfaces6,Vol. 19,No. 4,p. 2850-2856,2017年01月,研究論文(学術雑誌)
  • Enhancement of Carrier Mobility through Deformation Potential in Metal-Containing Insulated Molecular Wires,Vol. 120,No. 47,p. 26637-26644,2016年12月,研究論文(学術雑誌)
  • Unveiling the Amphiphilic Nature of TMAO by Vibrational Sum Frequency Generation Spectroscopy,Vol. 120,No. 31,p. 17435-17443,2016年08月,研究論文(学術雑誌)
  • Surface tension of ab initio liquid water at the water-air interface,Vol. 144,No. 20,2016年05月,研究論文(学術雑誌)
  • Molecular Modeling of Water Interfaces: From Molecular Spectroscopy to Thermodynamics,Vol. 120,No. 16,p. 3785-3796,2016年04月,研究論文(学術雑誌)
  • Lipid Carbonyl Groups Terminate the Hydrogen Bond Network of Membrane-Bound Water,Vol. 6,No. 22,p. 4499-4503,2015年11月,研究論文(学術雑誌)
  • Toward ab initio molecular dynamics modeling for sum-frequency generation spectra; an efficient algorithm based on surface-specific velocity-velocity correlation function,Vol. 143,No. 12,2015年09月,研究論文(学術雑誌)
  • Ab Initio Liquid Water Dynamics in Aqueous TMAO Solution,Vol. 119,No. 33,p. 10597-10606,2015年08月,研究論文(学術雑誌)
  • Determination of the mechanism behind the organic magnetoresistance (OMAR) effect by using impedance spectroscopy,Vol. 12,No. 3-4,p. 238-247,2015年,研究論文(学術雑誌)
  • The surface roughness, but not the water molecular orientation varies with temperature at the water-air interface,Vol. 17,No. 36,p. 23559-23564,2015年,研究論文(学術雑誌)
  • Thermopower of Benzenedithiol and C-60 Molecular Junctions with Ni and Au Electrodes,Vol. 14,No. 9,p. 5276-5280,2014年09月,研究論文(学術雑誌)
  • Influence of surface polarity on water dynamics at the water/rutile TiO2(110) interface,Vol. 26,No. 24,2014年06月,研究論文(学術雑誌)
  • Single Molecular Resistive Switch Obtained via Sliding Multiple Anchoring Points and Varying Effective Wire Length,Vol. 136,No. 20,p. 7327-7332,2014年05月,研究論文(学術雑誌)
  • Thermoelectric Efficiency of Organometallic Complex Wires via Quantum Resonance Effect and Long-Range Electric Transport Property,Vol. 135,No. 44,p. 16545-16552,2013年11月,研究論文(学術雑誌)
  • Optical and redox properties of phenyl-capped cyclohexa[c]-oligothiophenes,Vol. 181,p. 1-9,2013年10月,研究論文(学術雑誌)
  • Chirality dependence of quantum thermal transport in carbon nanotubes at low temperatures: A first-principles study,Vol. 139,No. 4,2013年07月,研究論文(学術雑誌)
  • Ab initio theory for current-induced molecular switching: Melamine on Cu(001),Vol. 87,No. 20,2013年05月28日,研究論文(学術雑誌)
  • Polarizable Site Charge Model at Liquid/Solid Interfaces for Describing Surface Polarity: Application to Structure and Molecular Dynamics of Water/Rutile TiO2(110) Interface,Vol. 9,No. 2,p. 1193-1201,2013年02月,研究論文(学術雑誌)
  • First-principles study of electronic structure and charge transport at PTCDA molecular layers on Ag(111) and Al(111) electrodes,Vol. 84,No. 4,2011年07月,研究論文(学術雑誌)
  • Effect of Anchoring Group Position on Formation and Conductance of a Single Disubstituted Benzene Molecule Bridging Au Electrodes: Change of Conductive Molecular Orbital and Electron Pathway,Vol. 114,No. 50,p. 22254-22261,2010年12月,研究論文(学術雑誌)
  • First-principles study of charge-density waves on Cu surfaces covered by In, Pb, and Bi atoms: Analysis of electronic structure and surface phonons,Vol. 82,No. 15,2010年10月,研究論文(学術雑誌)