Visible-light photocatalytic activity of Ni-doped TiO 2 from ab initio calculations

Materials Chemistry and Physics

Volumn 133, Issue 2-3, 2012, Pages 746-750

  Lin, Yan Ming ^a   Jiang, Zhen Yi ^a   Zhu, Chao Yuan ^b   Hu, Xiao Yun ^a   Zhang, Xiao Dong ^a   Fan, Jun ^a  

^a NORTHWEST UNIVERSITY   (China)

^b NATIONAL CHIAO TUNG UNIVERSITY   (Taiwan)

Author keywords

A. Semiconductors; C. Ab initio calculations; D. Electronic structure; D. Optical properties

Indexed keywords

A-PLANE; AB INITIO CALCULATIONS; ABSORPTION EDGES; ANATASE TIO; DENSITY FUNCTIONAL THEORIES (DFT); FORBIDDEN BAND; GEOMETRICAL STRUCTURE; GROWTH CONDITIONS; NI-DOPED; PHOTOCATALYTIC ACTIVITIES; PHOTON EXCITATION ENERGIES; RED SHIFT; RUTILE TIO; TIO; VISIBLE LIGHT;

CALCULATIONS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; OXIDE MINERALS; PHOTOCATALYSIS;

TITANIUM DIOXIDE;

EID: 84862813010     PISSN: 02540584     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.matchemphys.2012.01.083     Document Type: Article

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