O2 and vacancy diffusion on rutile(110): Pathways and electronic properties

ChemPhysChem

Volumn 6, Issue 9, 2005, Pages 1911-1916

  Tilocca, Antonio ^a   Selloni, Annabella ^a  

^a PRINCETON UNIVERSITY   (United States)

Author keywords

Density functional calculations; Oxygen adsorption; Surface chemistry; Titanium oxide; Vacancy diffusion

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; DIFFUSION; ELECTRONIC PROPERTIES; GAS ADSORPTION; MOLECULAR DYNAMICS; OXIDE MINERALS; OXYGEN VACANCIES; SCANNING TUNNELING MICROSCOPY; SURFACE CHEMISTRY; TITANIUM DIOXIDE; TITANIUM OXIDES;

ADSORBED OXYGEN; ADSORPTION STATE; DIFFUSION PATHWAYS; FIRST PRINCIPLES; INTERCONVERSIONS; OXYGEN ADSORPTION; SURFACE OXYGEN VACANCIES; VACANCY DIFFUSION;

MOLECULAR OXYGEN;

OXYGEN; TITANIUM; TITANIUM DIOXIDE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; DIFFUSION; ELECTRON; SURFACE PROPERTY;

COMPUTER SIMULATION; DIFFUSION; ELECTRONS; MODELS, CHEMICAL; OXYGEN; SURFACE PROPERTIES; TITANIUM;

EID: 24944574731     PISSN: 14394235     EISSN: None     Source Type: Journal    
DOI: 10.1002/cphc.200400570     Document Type: Article

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