Publications of Yuki Nagata

Yu, C.-C.; Seki, T.; Wang, Y.; Bonn, M.; Nagata, Y.: Polarization-Dependent Sum-Frequency Generation Spectroscopy for Angstrom-Scale Depth Profiling of Molecules at Interfaces. Physical Review Letters 128 (22), 226001 (2022)

Bernhardt, M. P.; Nagata, Y.; van der Vegt, N. F. A.: 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 13 (16), pp. 3712 - 3717 (2022)

Yu, C.-C.; Imoto, S.; Seki, T.; Chiang, K.-Y.; Sun, S.; Bonn, M.; Nagata, Y.: 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 156 (9), 094703 (2022)

Demmenie, M.; Kolpakov, P.; Nagata, Y.; Woutersen, S.; Bonn, D.: Scratch-Healing Behavior of Ice by Local Sublimation and Condensation. The Journal of Physical Chemistry C 126 (4), pp. 2179 - 2183 (2022)

Kim, E.; Kim, D.; Kwak, K.; Nagata, Y.; Bonn, M.; Cho, M.: Wettability of graphene, water contact angle, and interfacial water structure. Chem 8 (5), pp. 1187 - 1200 (2022)

Seki, T.; Yu, X.; Zhang, P.; Yu, C.-C.; Liu, K.; Gunkel, L.; Dong, R.; Nagata, Y.; Feng, X.; Bonn, M.: Real-time study of on-water chemistry: Surfactant monolayer-assisted growth of a crystalline quasi-2D polymer. Chem 7 (10), pp. 2758 - 2770 (2021)

Yu, X.; Seki, T.; Yu, C.-C.; Zhong, K.; Sun, S.; Okuno, M.; Backus, E. H. G.; Hunger, J.; Bonn, M.; Nagata, Y.: Interfacial Water Structure of Binary Liquid Mixtures Reflects Nonideal Behavior. The Journal of Physical Chemistry B 125 (37), pp. 10639 - 10646 (2021)

Jeong, S.; Ohto, T.; Nishiuchi, T.; Nagata, Y.; Fujita, J.-i.; Ito, Y.: Polyethylene Glycol Covered Sn Catalysts Accelerate the Formation Rate of Formate by Carbon Dioxide Reduction. ACS Catalysis 11 (15), pp. 9962 - 9969 (2021)

Seki, T.; Yu, C.-C.; Chiang, K.-Y.; Tan, J.; Sun, S.; Ye, S.; Bonn, M.; Nagata, Y.: Disentangling Sum-Frequency Generation Spectra of the Water Bending Mode at Charged Aqueous Interfaces. The Journal of Physical Chemistry B 125 (25), pp. 7060 - 7067 (2021)

Melani, G.; Nagata, Y.; Saalfrank, P.: 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 23 (13), pp. 7714 - 7723 (2021)

Schwidetzky, R.; Lukas, M.; Yazdan Yar, A.; Kunert, A. T.; Pöschl, U.; Domke, K. F.; Fröhlich-Nowoisky, J.; Bonn, M.; Koop, T.; Nagata, Y. et al.; Meister, K.: Specific Ion‐Protein Interactions Influence Bacterial Ice Nucleation. Chemistry – A European Journal (2021)

Hu, K.; Ohto, T.; Nagata, Y.; Wakisaka, M.; Aoki, Y.; Fujita, J.-i.; Ito, Y.: Catalytic activity of graphene-covered non-noble metals governed by proton penetration in electrochemical hydrogen evolution reaction. Nature Communications 12 (1), 203 (2021)

Seki, T.; Yu, C.-C.; Yu, X.; Ohto, T.; Sun, S.; Meister, K.; Backus, E. H. G.; Bonn, M.; Nagata, Y.: Decoding the molecular water structure at complex interfaces through surface-specific spectroscopy of the water bending mode. Physical Chemistry Chemical Physics 22 (19), pp. 10934 - 10940 (2020)

Tang, F.; Ohto, T.; Sun, S.; Rouxel, J. R.; Imoto, S.; Backus, E. H. G.; Mukamel, S.; Bonn, M.; Nagata, Y.: Molecular Structure and Modeling of Water-Air and Ice-Air Interfaces Monitored by Sum-Frequency Generation. Chemical Reviews 120 (8), pp. 3633 - 3667 (2020)

Balos, V.; Imoto, S.; Netz, R. R.; Bonn, M.; Bonthuis, D. J.; Nagata, Y.; Hunger, J.: Macroscopic conductivity of aqueous electrolyte solutions scales with ultrafast microscopic ion motions. Nature Communications 11, 1611 (2020)

Kaliannan, N. K.; Henao Aristizabal, A.; Wiebeler, H.; Ohto, T.; Nagata, Y.; Kühne, T. D.: Impact of intermolecular vibrational coupling effects on the sum-frequency generation spectra of the water/air interface. Molecular Physics 118 (4), 1620358 (2020)

Das, S.; Imoto, S.; Sun, S.; Nagata, Y.; Backus, E. H. G.; Bonn, M.: Nature of Excess Hydrated Proton at the Water–Air Interface. Journal of the American Chemical Society 142 (2), pp. 945 - 952 (2020)

Seki, T.; Chiang, K.-Y.; Yu, C.-C.; Yu, X.; Okuno, M.; Hunger, J.; Nagata, Y.; Bonn, M.: The Bending Mode of Water: A Powerful Probe for Hydrogen Bond Structure of Aqueous Systems. The Journal of Physical Chemistry Letters 11 (19), pp. 8459 - 8469 (2020)

Yu, C.-C.; Chiang, K.-Y.; Okuno, M.; Seki, T.; Ohto, T.; Yu, X.; Korepanov, V.; Hamaguchi, H.-o.; Bonn, M.; Hunger, J. et al.; Nagata, Y.: Vibrational couplings and energy transfer pathways of water's bending mode. Nature Communications 11 (1), 5977 (2020)

Zhong, K.; Yu, C.-C.; Dodia, M.; Bonn, M.; Nagata, Y.; Ohto, T.: Vibrational mode frequency correction of liquid water in density functional theory molecular dynamics simulations with van der Waals correction. Physical Chemistry Chemical Physics 22 (22), pp. 12785 - 12793 (2020)