Publications of Yuki Nagata

Nagata, Y.; Hama, , T.; Backus, E. H. G.; Mezger, M.; Bonn, D.; Bonn, M.; Sazaki, G.: The Surface of Ice under Equilibrium and Nonequilibrium Conditions. Accounts of Chemical Research 52 (4), pp. 1006 - 1015 (2019)

Ohto, T.; Dodia, M.; Imoto, S.; Nagata, Y.: Structure and Dynamics of Water at the Water-Air Interface Using First-Principles Molecular Dynamics Simulations within Generalized Gradient Approximation. Journal of Chemical Theory and Computation 15 (1), pp. 595 - 602 (2019)

Xie, W. J.; Cha, S.; Ohto, T.; Mizukami, W.; Mao, Y.; Wagner, M.; Bonn, M.; Hunger, J.; Nagata, Y.: Large Hydrogen-Bond Mismatch between TMAO and Urea Promotes Their Hydrophobic Association. Chem 4 (11), pp. 2615 - 2627 (2018)

Backus, E. H. G.; Cyran, J. D.; Grechko, M.; Nagata, Y.; Bonn, M.: Time-Resolved Sum Frequency Generation Spectroscopy: A Quantitative Comparison Between Intensity and Phase-Resolved Spectroscopy. The Journal of Physical Chemistry A 122 (9), pp. 2401 - 2410 (2018)

Cyran, J. D.; Backus, E. H. G.; Nagata, Y.; Bonn, M.: Structure from Dynamics: Vibrational Dynamics of Interfacial Water as a Probe of Aqueous Heterogeneity. The Journal of Physical Chemistry B 122 (14), pp. 3667 - 3679 (2018)

Dreier, L. B.; Nagata, Y.; Lutz, H.; Gonella, G.; Hunger, J.; Backus, E. H. G.; Bonn, M.: Saturation of charge-induced water alignment at model membrane surfaces. Science Advances 4 (3), eaap7415 (2018)

Grechko, M.; Hasegawa, T.; D'Angelo, F.; Ito, H.; Turchinovich, D.; Nagata, Y.; Bonn, M.: Coupling between intra- and intermolecular motions in liquid water revealed by two-dimensional terahertz-infrared-visible spectroscopy. Nature Communications 9, 885 (2018)

Hu, K. L.; Ohto, T.; Chen, L. H.; Han, J. H.; Wakisaka, M.; Nagata, Y.; Fujita, J.; Ito, Y.: Graphene Layer Encapsulation of Non-Noble Metal Nanoparticles as Acid-Stable Hydrogen Evolution Catalysts. ACS Energy Letters 3 (7), pp. 1539 - 1544 (2018)

Ito, Y.; Ohto, T.; Hojo, D.; Wakisaka, M.; Nagata, Y.; Chen, L. H.; Hu, K. L.; Izumi, M.; Fujita, J.; Adschiri, T.: Cooperation between holey graphene and NiMo alloy for hydrogen evolution in an acidic electrolyte. ACS Catalysis 8 (4), pp. 3579 - 3586 (2018)

Melani, G.; Nagata, Y.; Wirth, J.; Saalfrank, P.: Vibrational spectroscopy of hydroxylated alpha-Al2O3(0001) surfaces with and without water: An ab initio molecular dynamics study. The Journal of Chemical Physics 149 (1), 014707 (2018)

Nagata, Y.; Mukamel, S.: Electrical Double Layer Probed by Surface-Specific Vibrational Technique. Chem 4 (7), pp. 1484 - 1485 (2018)

Ohto, T.; Tada, H.; Nagata, Y.: 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 20 (18), pp. 12979 - 12985 (2018)

Sun, S.; Tang, F.; Imoto, S.; Moberg, D. R.; Ohto, T.; Paesani, F.; Bonn, M.; Backus, E. H. G.; Nagata, Y.: Orientational Distribution of Free O-H Groups of Interfacial Water is Exponential. Physical Review Letters 121 (24), 246101 (2018)

Tang, F.; Ohto, T.; Hasegawa, T.; Xie, W. J.; Xu, L. M.; Bonn, M.; Nagata, Y.: Definition of Free O-H Groups of Water at the Air-Water Interface. Journal of Chemical Theory and Computation 14 (1), pp. 357 - 364 (2018)

Weber, B.; Nagata, Y.; Ketzetzi, S.; Tang, F.; Smit, W. J.; Bakker, H. J.; Backus, E. H. G.; Bonn, M.; Bonn, D.: Molecular Insight into the Slipperiness of Ice. The Journal of Physical Chemistry Letters 9 (11), pp. 2838 - 2842 (2018)

Hosseinpour, S.; Tang, F.; Wang, F.; Livingstone, R. A.; Schlegel, S. J.; Ohto, T.; Bonn, M.; Nagata, Y.; Backus, E. H. G.: Chemisorbed and Physisorbed Water at the TiO2/Water Interface. The Journal of Physical Chemistry Letters 8 (10), pp. 2195 - 2199 (2017)

Jeon, J.; Hsieh, C. S.; Nagata, Y.; Bonn, M.; Cho, M.: Hydrogen bonding and vibrational energy relaxation of interfacial water: A full DFT molecular dynamics simulation. The Journal of Chemical Physics 147 (4), 044707 (2017)

Martin Sabanes, N.; Ohto, T.; Andrienko, D.; Nagata, Y.; Domke, K. F.: Electrochemical TERS Elucidates Potential-Induced Molecular Reorientation of Adenine/Au(111). Angewandte Chemie International Edition 56 (33), pp. 9796 - 9801 (2017)

Ohto, T.; Hunger, J.; Backus, E. H. G.; Mizukami, W.; Bonn, M.; Nagata, Y.: Trimethylamine-N-oxide: its hydration structure, surface activity, and biological function, viewed by vibrational spectroscopy and molecular dynamics simulations. Physical Chemistry Chemical Physics 19 (10), pp. 6909 - 6920 (2017)

Sanchez, M. A.; Kling, T.; Ishiyama, T.; van Zadel, M.-J.; Bisson, P. J.; Mezger, M.; Jochum, M. N.; Cyran, J. D.; Smit, W. J.; Bakker, H. J. et al.; Shultz, M. J.; Morita, A.; Donadio, D.; Nagata, Y.; Bonn, M.; Backus, E. H. G.: 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 114 (2), pp. 227 - 232 (2017)