Publications of Yuki Nagata
All genres
Journal Article (102)
21.
Journal Article
13 (16), pp. 3712 - 3717 (2022)
Where Lennard-Jones Potentials Fail: Iterative Optimization of Ion- Water Pair Potentials Based on Ab Initio Molecular Dynamics Data. The Journal of Physical Chemistry Letters 22.
Journal Article
156 (9), 094703 (2022)
Accurate molecular orientation at interfaces determined by multimode polarization-dependent heterodyne-detected sum-frequency generation spectroscopy via multidimensional orientational distribution function. The Journal of Chemical Physics 23.
Journal Article
126 (4), pp. 2179 - 2183 (2022)
Scratch-Healing Behavior of Ice by Local Sublimation and Condensation. The Journal of Physical Chemistry C 24.
Journal Article
119 (36), e2204156119 (2022)
The dielectric function profile across the water interface through surface-specific vibrational spectroscopy and simulations. Proceedings of the National Academy of Sciences of the United States of America 25.
Journal Article
8 (5), pp. 1187 - 1200 (2022)
Wettability of graphene, water contact angle, and interfacial water structure. Chem 26.
Journal Article
7 (10), pp. 2758 - 2770 (2021)
Real-time study of on-water chemistry: Surfactant monolayer-assisted growth of a crystalline quasi-2D polymer. Chem 27.
Journal Article
125 (37), pp. 10639 - 10646 (2021)
Interfacial Water Structure of Binary Liquid Mixtures Reflects Nonideal Behavior. The Journal of Physical Chemistry B 28.
Journal Article
11 (15), pp. 9962 - 9969 (2021)
Polyethylene Glycol Covered Sn Catalysts Accelerate the Formation Rate of Formate by Carbon Dioxide Reduction. ACS Catalysis 29.
Journal Article
125 (25), pp. 7060 - 7067 (2021)
Disentangling Sum-Frequency Generation Spectra of the Water Bending Mode at Charged Aqueous Interfaces. The Journal of Physical Chemistry B 30.
Journal Article
27 (26), pp. 7402 - 7407 (2021)
Specific Ion‐Protein Interactions Influence Bacterial Ice Nucleation. Chemistry – A European Journal 31.
Journal Article
23 (13), pp. 7714 - 7723 (2021)
Vibrational energy relaxation of interfacial OH on a water-covered ɑ-Al2O3(0001) surface: a non-equilibrium ab initio molecular dynamics study. Physical Chemistry Chemical Physics 32.
Journal Article
12 (1), 203 (2021)
Catalytic activity of graphene-covered non-noble metals governed by proton penetration in electrochemical hydrogen evolution reaction. Nature Communications 33.
Journal Article
22 (19), pp. 10934 - 10940 (2020)
Decoding the molecular water structure at complex interfaces through surface-specific spectroscopy of the water bending mode. Physical Chemistry Chemical Physics 34.
Journal Article
120 (8), pp. 3633 - 3667 (2020)
Molecular Structure and Modeling of Water-Air and Ice-Air Interfaces Monitored by Sum-Frequency Generation. Chemical Reviews 35.
Journal Article
11, 1611 (2020)
Macroscopic conductivity of aqueous electrolyte solutions scales with ultrafast microscopic ion motions. Nature Communications 36.
Journal Article
118 (4), 1620358 (2020)
Impact of intermolecular vibrational coupling effects on the sum-frequency generation spectra of the water/air interface. Molecular Physics 37.
Journal Article
142 (2), pp. 945 - 952 (2020)
Nature of Excess Hydrated Proton at the Water–Air Interface. Journal of the American Chemical Society 38.
Journal Article
11 (19), pp. 8459 - 8469 (2020)
The Bending Mode of Water: A Powerful Probe for Hydrogen Bond Structure of Aqueous Systems. The Journal of Physical Chemistry Letters 39.
Journal Article
11 (1), 5977 (2020)
Vibrational couplings and energy transfer pathways of water's bending mode. Nature Communications 40.
Journal Article
22 (22), pp. 12785 - 12793 (2020)
Vibrational mode frequency correction of liquid water in density functional theory molecular dynamics simulations with van der Waals correction. Physical Chemistry Chemical Physics