eprintid: 91473
rev_number: 44
eprint_status: archive
userid: 608
dir: disk0/00/09/14/73
datestamp: 2010-10-18 18:02:45
lastmod: 2021-11-29 00:13:33
status_changed: 2010-10-18 18:02:45
type: article
metadata_visibility: show
item_issues_count: 0
creators_name: Ranea, VA
creators_name: Michaelides, A
creators_name: Ramirez, R
creators_name: de Andres, PL
creators_name: Verges, JA
creators_name: King, DA
title: Water dimer diffusion on Pd{111} assisted by an H-bond donor-acceptor tunneling exchange
ispublished: pub
divisions: UCL
divisions: B04
divisions: C06
divisions: F60
keywords: SURFACES, RU(0001)
note: © 2004 The American Physical Society
abstract: 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-bond donor and acceptor molecules. At appropriate temperatures, water dimers diffuse more rapidly than water monomers, thus providing a physical explanation for the experimentally measured high diffusivity of water dimers on Pd{111} [Mitsui et al., Science 297, 1850 (2002)].
date: 2004-04-02
publisher: AMERICAN PHYSICAL SOC
official_url: http://dx.doi.org/10.1103/PhysRevLett.92.136104
vfaculties: VMPS
oa_status: green
language: eng
primo: open
primo_central: open_green
article_type_text: Article
verified: verified_manual
elements_source: Web of Science
elements_id: 110046
doi: 10.1103/PhysRevLett.92.136104
language_elements: EN
lyricists_name: Michaelides, Angelos
lyricists_id: AMICH30
full_text_status: public
publication: PHYS REV LETT
volume: 92
number: 13
article_number: 136104
issn: 0031-9007
citation:        Ranea, VA;    Michaelides, A;    Ramirez, R;    de Andres, PL;    Verges, JA;    King, DA;      (2004)    Water dimer diffusion on Pd{111} assisted by an H-bond donor-acceptor tunneling exchange.                   PHYS REV LETT , 92  (13)    , Article 136104.  10.1103/PhysRevLett.92.136104 <https://doi.org/10.1103/PhysRevLett.92.136104>.       Green open access   
 
document_url: https://discovery.ucl.ac.uk/id/eprint/91473/1/91473.pdf