New insights into the band-gap narrowing of (N, P)-codoped TiO2 from hybrid density functional theory calculations

ChemPhysChem

Volumn 12, Issue 14, 2011, Pages 2604-2608

  Long, Run ^a   English, Niall J ^a  

^a UNIVERSITY COLLEGE DUBLIN   (Ireland)

Author keywords

computational chemistry; density functional theory; electronic properties; semiconductors

Indexed keywords

COMPUTATION THEORY; COMPUTATIONAL CHEMISTRY; ELECTRONIC PROPERTIES; ENERGY GAP; PHOTOCATALYTIC ACTIVITY; SEMICONDUCTOR DOPING; SEMICONDUCTOR MATERIALS; TITANIUM DIOXIDE;

BAND GAP NARROWING; COUPLING MECHANISM; DOPING CONCENTRATION; EXCHANGE CORRELATIONS; HIGH PHOTOCATALYTIC ACTIVITIES; HYBRID DENSITY FUNCTIONAL THEORY; HYBRID FUNCTIONAL; LOW DOPING CONCENTRATIONS;

DENSITY FUNCTIONAL THEORY;

EID: 80053183032     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.201100313     Document Type: Article

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