Publikationen von Yuki Nagata

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), S. 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), S. 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), S. 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), S. 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), S. 227 - 232 (2017)

Smit, W. J.; Tang, F.; Nagata, Y.; Sanchez, M. A.; Hasegawa, T.; Backus, E. H. G.; Bonn, M.; Bakker, H. J.: Observation and Identification of a New OH Stretch Vibrational Band at the Surface of Ice. The Journal of Physical Chemistry Letters 8 (15), S. 3656 - 3660 (2017)

Smit, W. J.; Tang, F.; Sanchez, M. A.; Backus, E. H. G.; Xu, L. M.; Hasegawa, T.; Bonn, M.; Bakker, H. J.; Nagata, Y.: Excess Hydrogen Bond at the Ice-Vapor Interface around 200 K. Physical Review Letters 119 (13), 133003 (2017)

Tang, F.; Ohto, T.; Hasegawa, T.; Bonn, M.; Nagata, Y.: pi(+)-pi(+) stacking of imidazolium cations enhances molecular layering of room temperature ionic liquids at their interfaces. Physical Chemistry Chemical Physics 19 (4), S. 2850 - 2856 (2017)

Wang, H. I.; Lu, H.; Nagata, Y.; Bonn, M.; Canovas, E.: Dipolar Molecular Capping in Quantum Dot-Sensitized Oxides: Fermi Level Pinning Precludes Tuning Donor-Acceptor Energetics. ACS Nano 11 (5), S. 4760 - 4767 (2017)

Carrier, O.; Backus, E. H. G.; Shahidzadeh, N.; Franz, J.; Wagner, M.; Nagata, Y.; Bonn, M.; Bonn, D.: Oppositely Charged Ions at Water-Air and Water-Oil Interfaces: Contrasting the Molecular Picture with Thermodynamics. The Journal of Physical Chemistry Letters 7 (5), S. 825 - 830 (2016)

Khatib, R.; Hasegawa, T.; Sulpizi, M.; Backus, E. H. G.; Bonn, M.; Nagata, Y.: Molecular Dynamics Simulations of SFG Librational Modes Spectra of Water at the Water-Air Interface. The Journal of Physical Chemistry C 120 (33), S. 18665 - 18673 (2016)

Nagata, Y.; Ohto, T.; Backus, E. H. G.; Bonn, M.: Molecular Modeling of Water Interfaces: From Molecular Spectroscopy to Thermodynamics. The Journal of Physical Chemistry B 120 (16), S. 3785 - 3796 (2016)

Nagata, Y.; Ohto, T.; Bonn, M.; Kühne, T. D.: Surface tension of ab initio liquid water at the water-air interface. The Journal of Chemical Physics 144 (20), 204705 (2016)

Ohto, T.; Backus, E. H. G.; Mizukami, W.; Hunger, J.; Bonn, M.; Nagata, Y.: Unveiling the Amphiphilic Nature of TMAO by Vibrational Sum Frequency Generation Spectroscopy. The Journal of Physical Chemistry C 120 (31), S. 17435 - 17443 (2016)

Pandey, R.; Usui, K.; Livingstone, R. A.; Fischer, S. A.; Pfaendtner, J.; Backus, E. H. G.; Nagata, Y.; Fröhlich-Nowoisky, J.; Schmüser, L.; Mauri, S. et al.; Scheel, J. F.; Knopf, D. A.; Pöschl, U.; Bonn, M.; Weidner, T.: Ice-nucleating bacteria control the order and dynamics of interfacial water. Science Advances 2 (4), e1501630 (2016)

Perakis, F.; De Marco, L.; Shalit, A.; Tang, F. J.; Kann, Z. R.; Kühne, T. D.; Torre, R.; Bonn, M.; Nagata, Y.: Vibrational Spectroscopy and Dynamics of Water. Chemical Reviews 116 (13), S. 7590 - 7607 (2016)

Schaefer, J.; Backus, E. H. G.; Nagata, Y.; Bonn, M.: Both Inter- and Intramolecular Coupling of O-H Groups Determine the Vibrational Response of the Water/Air Interface. The Journal of Physical Chemistry Letters 7 (22), S. 4591 - 4595 (2016)

Usui, K.; Nagata, Y.; Hunger, J.; Bonn, M.; Sulpizi, M.: A new force field including charge directionality for TMAO in aqueous solution. The Journal of Chemical Physics 145 (6), 064103 (2016)

Bonn, M.; Nagata, Y.; Backus, E. H. G.: Molecular Structure and Dynamics of Water at the Water-Air Interface Studied with Surface-Specific Vibrational Spectroscopy. Angewandte Chemie International Edition 54 (19), S. 5560 - 5576 (2015)