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DOI	10.1073/pnas.1612893114
	Experimental and theoretical evidence for bilayer-bybilayer surface melting of crystalline ice
	Alejandra Sánchez M.; 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.; Shultz M.J.; Morita A.; Donadio D.; Nagata Y.; Bonn M.; Backus E.H.G.
发表日期	2017
ISSN	0027-8424
起始页码	227
结束页码	232
卷号	114 期号:2
英文摘要	On the surface of water ice, a quasi-liquid layer (QLL) has been extensively reported at temperatures below its bulk melting point at 273 K. Approaching the bulk melting temperature from below, the thickness of the QLL is known to increase. To elucidate the precise temperature variation of the QLL, and its nature, we investigate the surface melting of hexagonal ice by combining noncontact, surfacespecific vibrational sum frequency generation (SFG) spectroscopy and spectra calculated from molecular dynamics simulations. Using SFG, we probe the outermost water layers of distinct single crystalline ice faces at different temperatures. For the basal face, a stepwise, sudden weakening of the hydrogen-bonded structure of the outermost water layers occurs at 257 K. The spectral calculations from the molecular dynamics simulations reproduce the experimental findings; this allows us to interpret our experimental findings in terms of a stepwise change from one to two molten bilayers at the transition temperature.
英文关键词	Crystalline ice; Stepwise; Sum frequency generation; Surface melting; Water
语种	英语
scopus关键词	ice; bilayer membrane; Conference Paper; extraction; hydrogen bond; melting point; molecular dynamics; priority journal; spectroscopy; sum frequency generation spectroscopy; surface property; transition temperature; X ray diffraction
来源期刊	Proceedings of the National Academy of Sciences of the United States of America
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/159068
作者单位	Alejandra Sánchez, M., Max Planck Institute for Polymer Research, Mainz, 55128, Germany; Kling, T., Max Planck Institute for Polymer Research, Mainz, 55128, Germany; Ishiyama, T., Graduate School of Science and Engineering, University of Toyama, Toyama, 930-8555, Japan; Van Zadel, M.-J., Max Planck Institute for Polymer Research, Mainz, 55128, Germany; Bisson, P.J., Laboratory for Water and Surface Studies, Department of Chemistry, Pearson Laboratory, Tufts University, Medford, MA 02155, United States; Mezger, M., Max Planck Institute for Polymer Research, Mainz, 55128, Germany, Institute of Physics, Johannes Gutenberg University Mainz, Mainz, 55128, Germany; Jochum, M.N., Max Planck Institute for Polymer Research, Mainz, 55128, Germany, BASF SE, Limburgerhof, 67117, Germany; Cyran, J.D., Max Planck Institute for Polymer Research, Mainz, 55128, Germany; Smit, W.J., FOM Institute AMOLF, XG Amsterdam, 1098, Netherlands; Bakker, H.J., FOM Institute AMOLF, XG Amsterdam, 1098, Netherlands; Shultz, M.J., Labor...
推荐引用方式 GB/T 7714	Alejandra Sánchez M.,Kling T.,Ishiyama T.,et al. Experimental and theoretical evidence for bilayer-bybilayer surface melting of crystalline ice[J],2017,114(2).
APA	Alejandra Sánchez M..,Kling T..,Ishiyama T..,Van Zadel M.-J..,Bisson P.J..,...&Backus E.H.G..(2017).Experimental and theoretical evidence for bilayer-bybilayer surface melting of crystalline ice.Proceedings of the National Academy of Sciences of the United States of America,114(2).
MLA	Alejandra Sánchez M.,et al."Experimental and theoretical evidence for bilayer-bybilayer surface melting of crystalline ice".Proceedings of the National Academy of Sciences of the United States of America 114.2(2017).