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Journal of Alloys and Compounds

Volumn 513, Issue , 2012, Pages 539-545

First principle calculations of the electronic and optical properties of pure and (Mo, N) co-doped anatase TiO 2

(4) Khan, Matiullah a Xu, Junna a Chen, Ning a Cao, Wenbin a

a UNIVERSITY OF SCIENCE AND TECHNOLOGY BEIJING (China)

Author keywords

(Mo; Density functional theory; N) co doped TiO 2; Optical properties; Photocatalytic activity

Indexed keywords

ANATASE TIO; CO-DOPED; CO-DOPING; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELECTRON HOLE PAIRS; ELECTRON-HOLE RECOMBINATION; FIRST PRINCIPLE CALCULATIONS; IMPURITY STATE; N-DOPING; N-TYPE DOPING; OPTICAL ABSORPTION COEFFICIENTS; PHOTOCATALYTIC ACTIVITIES; RECOMBINATION CENTERS; THEORETICAL STUDY; TIO; VISIBLE LIGHT PHOTOCATALYTIC ACTIVITY; VISIBLE REGION;

CONDUCTION BANDS; DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ENERGY GAP; EXCITONS; LIGHT; LIGHT ABSORPTION; OPTICAL PROPERTIES; PHOTOCATALYSIS; VALENCE BANDS;

TITANIUM DIOXIDE;

EID: 83555163775 PISSN: 09258388 EISSN: None Source Type: Journal
DOI: 10.1016/j.jallcom.2011.11.002 Document Type: Article

Times cited : (127)

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