Vibrational Recognition of Hydrogen-Bonded Water Networks on a Metal Surface

Sheng Meng, L. F. Xu, E. G. Wang, and Shiwu Gao

Phys. Rev. Lett. 89, 176104 – Published 7 October 2002

Abstract

The adsorption of water on Pt(111) surface has been studied with ab initio molecular dynamics simulation. Both the energetics and vibrational dynamics indicate the existence of a well-ordered molecular bilayer on this surface. This conclusion is in contrast to the recent result of water on Ru(0001) surface, but agrees with available experiments. In addition, our calculation identifies two different hydrogen bonds in the bilayer. Both can be directly recognized from the vibrational spectra of the OH stretch modes.

Received 4 June 2002

DOI:https://doi.org/10.1103/PhysRevLett.89.176104

Authors & Affiliations

Sheng Meng^1,2, L. F. Xu¹, E. G. Wang¹, and Shiwu Gao²

¹Institute of Physics, Chinese Academy of Sciences, P.O. Box 603, Beijing, 100080, China
²Department of Applied Physics, Chalmers University of Technology and Göteborg University, SE-412 96 Göteborg, Sweden

Comments & Replies

Meng et al. Reply:

Sheng Meng, L. F. Xu, E. G. Wang, and Shiwu Gao

Phys. Rev. Lett. 91, 059602 (2003)

Comment on “Vibrational Recognition of Hydrogen-Bonded Water Networks on a Metal Surface”

Peter J. Feibelman

Phys. Rev. Lett. 91, 059601 (2003)

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Vol. 89, Iss. 17 — 21 October 2002

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