%A J Zhao
%A B Li
%A KD Jordan
%A J Yang
%A H Petek
%J Physical Review B - Condensed Matter and Materials Physics
%T Interplay between hydrogen bonding and electron solvation on hydrated Ti O2 (110)
%X We present density functional theory calculations of partially hydrated or "wet"-electron states on H2 O and H-covered Ti O2 (110) surfaces. Based on the investigation of different coverages and structures, we determine different patterns of hydrogen bonding for the chemisorbed H2 O and H on Ti O2 (110). We find that a network of dangling H atoms can stabilize photoexcited electrons, in so-called wet-electron states. The energies of the wet-electron states correlate closely with the number and configuration of the dangling H atoms. The effect of the adsorbate chemisorption on the surface charge distribution is also discussed. The calculated energies of the wet-electron states are in good agreement with those measured in two-photon photoemission experiments. ? 2006 The American Physical Society.
%N 19
%V 73
%D 2006
%R 10.1103/PhysRevB.73.195309
%L pittir18237