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Author(s):
Woerz, Anke S.; Heiz, Ueli; Cinquini, Fabrizio; Pacchioni, Gianfranco 
Title:
Charging of Au atoms on TiO2 thin films from CO vibrational spectroscopy and DFT calculations 
Abstract:
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 ( 
Keywords:
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 
Year:
2005 
Journal volume:
109 
Journal issue:
39 
Pages contribution:
18418-18426