First-principles calculation of electronic structure of V-doped anatase TiO2

ChemPhysChem

Volumn 11, Issue 12, 2010, Pages 2606-2611

  Long, Run ^a   English, Niall J ^a  

^a UNIVERSITY COLLEGE DUBLIN   (Ireland)

Author keywords

Density functional calculations; Electronic structure; Interstitial sites; Oxygen vacancies; Titanium dioxide

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; LIGHT ABSORPTION; OXYGEN VACANCIES; TITANIUM DIOXIDE;

ANATASE TIO2; DOPANT CONCENTRATIONS; ELECTRONIC AND MAGNETIC PROPERTIES; FIRST-PRINCIPLES CALCULATION; INTERSTITIAL SITES; SPIN-FLIP PHENOMENA; U VALUES; VISIBLE LIGHT ABSORPTION;

VANADIUM COMPOUNDS;

EID: 77955909832     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.201000329     Document Type: Article

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