%V 92
%N 13
%J PHYS REV LETT
%T Water dimer diffusion on Pd{111} assisted by an H-bond donor-acceptor tunneling exchange
%L discovery91473
%A VA Ranea
%A A Michaelides
%A R Ramirez
%A PL de Andres
%A JA Verges
%A DA King
%K SURFACES, RU(0001)
%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)].
%D 2004
%O © 2004 The American Physical Society
%I AMERICAN PHYSICAL SOC