%0 Journal Article
%@ 0031-9007
%A Ranea, VA
%A Michaelides, A
%A Ramirez, R
%A de Andres, PL
%A Verges, JA
%A King, DA
%D 2004
%F discovery:91473
%I AMERICAN PHYSICAL SOC
%J PHYS REV LETT
%K SURFACES, RU(0001)
%N 13
%T Water dimer diffusion on Pd{111} assisted by an H-bond donor-acceptor tunneling exchange
%U https://discovery.ucl.ac.uk/id/eprint/91473/
%V 92
%X 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)].
%Z © 2004 The American Physical Society