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Woerz, Anke S.; Heiz, Ueli; Cinquini, Fabrizio; Pacchioni, Gianfranco 
Charging of Au atoms on TiO2 thin films from CO vibrational spectroscopy and DFT calculations 
Au atoms have been deposited on oxidized and reduced TiO2 thin films grown on Mo(110). The Au binding sites and the occurrence of Au-TiO2 charge transfer were identified by measuring IR spectra as a function of temp. and substrate prepn. The results were interpreted by slab model DFT calcns. Au binds weakly to regular TiO2 sites (De < 0.5 eV) where it remains neutral, and diffuses easily even at low temp. until it gets trapped at strong binding sites such as O vacancies ( 
Adsorbed substances Density of states Electron transfer Films Surface electric charge Surface state (charging of Au atoms on TiO2 thin films) gold adsorbate titania film charge transfer 
Congress title:
CAN 143:254527 66-3 Surface Chemistry and Colloids Lehrstuhl fuer Physikalische Chemie 1, Technische Universitaet Muenchen, Garching, Germany. Journal 1520-6106 7440-57-5 (Gold) Role: PEP (Physical, engineering or chemical process), PRP (Properties), PYP (Physical process), PROC (Process) (charging of Au atoms on TiO2 thin films); 13463-67-7 (Titania) Role: PRP (Properties) (charging of Au atoms on TiO2 thin films) 
Journal title:
J. Phys. Chem. B 
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