Water dimer diffusion on Pd[111] assisted by an H-bond donor-acceptor tunneling exchange

Based on the results of density functional theory calculations, a novel mechanism for the diffusion of water dimers on metal surfaces is proposed, which relies on the ability of H bonds to rearrange through quantum tunneling. The mechanism involves quasifree rotation of the dimer and exchange of H-b...

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Veröffentlicht in:	Physical review letters 2004-04, Vol.92 (13), p.136104, Article 136104
Hauptverfasser:	Ranea, V A, Michaelides, A, Ramírez, R, de Andres, P L, Vergés, J A, King, D A
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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