%0 Journal Article
%@ 1098-0121
%A Zhao, J
%A Li, B
%A Jordan, KD
%A Yang, J
%A Petek, H
%D 2006
%F pittir:18237
%J Physical Review B - Condensed Matter and Materials Physics
%N 19
%T Interplay between hydrogen bonding and electron solvation on hydrated Ti O2 (110)
%U http://d-scholarship-dev.library.pitt.edu/18237/
%V 73
%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.