Publications of Yuki Nagata
All genres
Journal Article (102)
2018
Journal Article
20 (18), pp. 12979 - 12985 (2018)
Structure and dynamics of water at water-graphene and water-hexagonal boron-nitride sheet interfaces revealed by ab initio sum-frequency generation spectroscopy. Physical Chemistry Chemical Physics
Journal Article
121 (24), 246101 (2018)
Orientational Distribution of Free O-H Groups of Interfacial Water is Exponential. Physical Review Letters
Journal Article
14 (1), pp. 357 - 364 (2018)
Definition of Free O-H Groups of Water at the Air-Water Interface. Journal of Chemical Theory and Computation
Journal Article
9 (11), pp. 2838 - 2842 (2018)
Molecular Insight into the Slipperiness of Ice. The Journal of Physical Chemistry Letters 2017
Journal Article
8 (10), pp. 2195 - 2199 (2017)
Chemisorbed and Physisorbed Water at the TiO2/Water Interface. The Journal of Physical Chemistry Letters
Journal Article
147 (4), 044707 (2017)
Hydrogen bonding and vibrational energy relaxation of interfacial water: A full DFT molecular dynamics simulation. The Journal of Chemical Physics
Journal Article
56 (33), pp. 9796 - 9801 (2017)
Electrochemical TERS Elucidates Potential-Induced Molecular Reorientation of Adenine/Au(111). Angewandte Chemie International Edition
Journal Article
19 (10), pp. 6909 - 6920 (2017)
Trimethylamine-N-oxide: its hydration structure, surface activity, and biological function, viewed by vibrational spectroscopy and molecular dynamics simulations. Physical Chemistry Chemical Physics
Journal Article
114 (2), pp. 227 - 232 (2017)
Experimental and theoretical evidence for bilayer-by-bilayer surface melting of crystalline ice. Proceedings of the National Academy of Sciences of the United States of America
Journal Article
8 (15), pp. 3656 - 3660 (2017)
Observation and Identification of a New OH Stretch Vibrational Band at the Surface of Ice. The Journal of Physical Chemistry Letters
Journal Article
119 (13), 133003 (2017)
Excess Hydrogen Bond at the Ice-Vapor Interface around 200 K. Physical Review Letters
Journal Article
19 (4), pp. 2850 - 2856 (2017)
pi(+)-pi(+) stacking of imidazolium cations enhances molecular layering of room temperature ionic liquids at their interfaces. Physical Chemistry Chemical Physics
Journal Article
11 (5), pp. 4760 - 4767 (2017)
Dipolar Molecular Capping in Quantum Dot-Sensitized Oxides: Fermi Level Pinning Precludes Tuning Donor-Acceptor Energetics. ACS Nano 2016
Journal Article
7 (5), pp. 825 - 830 (2016)
Oppositely Charged Ions at Water-Air and Water-Oil Interfaces: Contrasting the Molecular Picture with Thermodynamics. The Journal of Physical Chemistry Letters
Journal Article
120 (33), pp. 18665 - 18673 (2016)
Molecular Dynamics Simulations of SFG Librational Modes Spectra of Water at the Water-Air Interface. The Journal of Physical Chemistry C
Journal Article
120 (16), pp. 3785 - 3796 (2016)
Molecular Modeling of Water Interfaces: From Molecular Spectroscopy to Thermodynamics. The Journal of Physical Chemistry B
Journal Article
144 (20), 204705 (2016)
Surface tension of ab initio liquid water at the water-air interface. The Journal of Chemical Physics
Journal Article
120 (31), pp. 17435 - 17443 (2016)
Unveiling the Amphiphilic Nature of TMAO by Vibrational Sum Frequency Generation Spectroscopy. The Journal of Physical Chemistry C
Journal Article
2 (4), e1501630 (2016)
Ice-nucleating bacteria control the order and dynamics of interfacial water. Science Advances
Journal Article
116 (13), pp. 7590 - 7607 (2016)
Vibrational Spectroscopy and Dynamics of Water. Chemical Reviews