Observation of the dynamical change in a water monolayer adsorbed on a ZnO surface

被引:168
作者
Dulub, O [1 ]
Meyer, B
Diebold, U
机构
[1] Tulane Univ, Dept Phys, New Orleans, LA 70118 USA
[2] Ruhr Univ Bochum, Lehrstuhl Theoret Chem, D-44780 Bochum, Germany
关键词
D O I
10.1103/PhysRevLett.95.136101
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
A combined scanning tunneling microscopy and density-functional theory (DFT) study shows a rich structure of water monolayers adsorbed on ZnO(10 (1) over bar0) at room temperature. Most of the water is in a lowest-energy configuration where every second molecule is dissociated. It coexists with an energetically almost degenerate configuration consisting of a fully molecular water monolayer. Parts of the layer continuously switch back and forth between these two states. DFT calculations reveal that water molecules repeatedly associate and dissociate in this sustained dynamical process.
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页数:4
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共 29 条
[1]   Water dissociation on Ru(001): An activated process [J].
Andersson, K ;
Nikitin, A ;
Pettersson, LGM ;
Nilsson, A ;
Ogasawara, H .
PHYSICAL REVIEW LETTERS, 2004, 93 (19) :196101-1
[2]   UNIFIED APPROACH FOR MOLECULAR-DYNAMICS AND DENSITY-FUNCTIONAL THEORY [J].
CAR, R ;
PARRINELLO, M .
PHYSICAL REVIEW LETTERS, 1985, 55 (22) :2471-2474
[3]   Ultrafast memory loss and energy redistribution in the hydrogen bond network of liquid H2O [J].
Cowan, ML ;
Bruner, BD ;
Huse, N ;
Dwyer, JR ;
Chugh, B ;
Nibbering, ETJ ;
Elsaesser, T ;
Miller, RJD .
NATURE, 2005, 434 (7030) :199-202
[4]   Proton transport through water-filled carbon nanotubes [J].
Dellago, C ;
Naor, MM ;
Hummer, G .
PHYSICAL REVIEW LETTERS, 2003, 90 (10) :4-105902
[5]   Proton transport through water-filled carbon nanotubes (vol 90, art no 105902, 2003) [J].
Dellago, C ;
Naor, MM ;
Hummer, G .
PHYSICAL REVIEW LETTERS, 2003, 91 (13)
[6]   Partial dissociation of water on Ru(0001) [J].
Feibelman, PJ .
SCIENCE, 2002, 295 (5552) :99-102
[7]   Comment on "Vibrational recognition of hydrogen-bonded water networks on a metal surface" [J].
Feibelman, PJ .
PHYSICAL REVIEW LETTERS, 2003, 91 (05)
[8]   Autoionization in liquid water [J].
Geissler, PL ;
Dellago, C ;
Chandler, D ;
Hutter, J ;
Parrinello, M .
SCIENCE, 2001, 291 (5511) :2121-2124
[9]  
HEBERLE J, 1994, NATURE, V370, P379, DOI 10.1038/370379a0
[10]   The interaction of water with solid surfaces: fundamental aspects revisited [J].
Henderson, MA .
SURFACE SCIENCE REPORTS, 2002, 46 (1-8) :1-308