Physikalische Chemie - Direktor: Prof. Dr. Martin Wolf
Department Seminar
Host: T. Kumaga

Monday, November 5, 2018, 11:00 am
PC Seminar Room, G 2.06, Faradayweg 4
Dr. Yuki Nagata
Surface Spectroscopy Theory Group, Department of Molecular Spectroscopy, Max Planck Institute for Polymer Research, Mainz
Molecular modeling of ice-air and water-air interfaces: input
 from theoretical sum-frequency generation spectroscopy
When water is in contact with air phase, the water hydrogen-bonded network is interrupted, differentiating the properties of interfacial water from that of bulk water. Here, I shall discuss the vibrational response of water at the water-air interface [1,2], and explained how one can model the surface vibraional spectra. Then, I shall turn our focus onto the ice-air interface, and clarify the configurational variation of the interfacial water [3]. We suspect that this can explain the slipperiness of the ice surface [4].
[1] F. Perakis, L. De Marco, A. Shalit, F. Tang, Z.R. Kann, T.D. Kühne, R. Torre, M. Bonn, Y. Nagata, Chem. Rev. 116, 7590 (2016).
[2] T. Ohto, K. Usui, T. Hasegawa, M. Bonn, Y. Nagata, J. Chem. Phys. 143, 124702 (2015).
[3] W. Smits, F. Tang, M. A. Sánchez, E. H. G. Backus, L. Xu, T. Hasegawa, M. Bonn, H. J. Bakker, Y. Nagata, Phys. Rev. Lett., 119, 133003 (2017).
[4] B. Weber, Y. Nagata, S. Ketzetzi, F. Tang, W. J. Smit, H. J. Bakker, E. H. G. Backus, M. Bonn, D. Bonn, J. Phys. Chem. Lett., 9, 2838 (2018).