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Influence of cooperative effects on the formation of water trimers on Pt(111)

Lookup NU author(s): Dr Ian Cooper

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Abstract

Calculations on small platinum-water clusters demonstrate the importance of cooperative effects on the formation of a water bilayer structure on the platinum(111) surface. If the orientation of the bridging water molecule is allowed to relax during the simulation of this bilayer, one hydrogen bond is broken in favor of the other. The desorption energy of water from the relaxed model cluster is found to be in better agreement with published thermal desorption spectra data than desorption energies arising from an ideal icelike bilayer structure. © 1999 American Chemical Society.

Publication metadata

Author(s): Lankau T, Nagorny K, Cooper IL

Publication type: Article

Publication status: Published

Journal: Langmuir

Year: 1999

Volume: 15

Issue: 21

Pages: 7308-7315

Print publication date: 12/10/1999

ISSN (print): 0743-7463

ISSN (electronic): 1520-5827

Publisher: American Chemical Society

URL: http://dx.doi.org/10.1021/la9902587

DOI: 10.1021/la9902587

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