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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.
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Sheng Meng
Tongji University
Liangxiong Xu
Northeast Agricultural University
E. G. Wang
Institute of Physics
Physical Review Letters
Chalmers University of Technology
Institute of Physics
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Meng et al. (Mon,) studied this question.
synapsesocial.com/papers/6a23b4440f6fe640299efa55 — DOI: https://doi.org/10.1103/physrevlett.89.176104
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