Density functional theory study of the structural, electronic and optical properties of C-doped anatase TiO2 (101) surface

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 379, Issue 28-29, 2015, Pages 1666-1670

  Yu, Dandan ^a   Zhou, Wei ^a   Liu, Yanyu ^a   Zhou, Baozeng ^a   Wu, Ping ^a  

^a TIANJIN UNIVERSITY   (China)

Author keywords

C doped TiO2 (101) surface; Density functional theory; Dipole moment; Optical properties

Indexed keywords

CRYSTAL IMPURITIES; CRYSTAL STRUCTURE; DIPOLE MOMENT; ENERGY GAP; OPTICAL PROPERTIES; PHOTOCATALYTIC ACTIVITY; TITANIUM DIOXIDE;

ANATASE TIO2; C-DOPED; DENSITY FUNCTIONAL THEORY STUDIES; ELECTRONIC AND OPTICAL PROPERTIES; IMPURITY STATE; INTERSTITIAL SITES; LOCAL STRUCTURE; PHOTO-CATALYTIC;

DENSITY FUNCTIONAL THEORY;

EID: 84946195203     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2015.04.044     Document Type: Article

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