Publications of Yuki Nagata

Hunger, J.; Schäfer, J.; Ober, P.; Seki, T.; Wang, Y.; Prädel, L.; Nagata, Y.; Bonn, M.; Bonthuis, D. J.; Backus, E. H. G.: Nature of Cations Critically Affects Water at the Negatively Charged Silica Interface. Journal of the American Chemical Society 144 (43), pp. 19726 - 19738 (2022)

Strunge, K.; Madzharova, F.; Jensen, F.; Weidner, T.; Nagata, Y.: Theoretical Sum Frequency Generation Spectra of Protein Amide with Surface-Specific Velocity–Velocity Correlation Functions. The Journal of Physical Chemistry B 126 (42), pp. 8571 - 8578 (2022)

Ehrhard, A.; Gunkel, L.; Jäger, S.; Sell, A. C.; Nagata, Y.; Hunger, J.: Elucidating Conformation and Hydrogen-Bonding Motifs of Reactive Thiourea Intermediates. ACS Catalysis 12 (20), pp. 12689 - 12700 (2022)

Yu, C.-C.; Seki, T.; Chiang, K.-Y.; Tang, F.; Sun, S.; Bonn, M.; Nagata, Y.: Polarization-Dependent Heterodyne-Detected Sum-Frequency Generation Spectroscopy as a Tool to Explore Surface Molecular Orientation and Ångström-Scale Depth Profiling. The Journal of Physical Chemistry B 126 (33), pp. 6113 - 6124 (2022)

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)

Chen, J.; Wang, Y.; Leibauer, B.; Seki, T.; Meister, K.; Meister, K.; Nagata, Y.; Bonn, M.: Tuning Ice Nucleation by Mussel-Adhesive Inspired Polyelectrolytes: The Role of Hydrogen Bonding. CCS Chemistry 4 (9), pp. 2890 - 2990 (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)

Chiang, K.-Y.; Seki, T.; Yu, C.-C.; Ohto, T.; Hunger, J.; Bonn, M.; Nagata, Y.: 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 119 (36), e2204156119 (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)

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 27 (26), pp. 7402 - 7407 (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)

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)