Electronic and optical properties of anatase TiO2 nanotubes

Computational Materials Science

Volumn 48, Issue 4, 2010, Pages 854-858

  Hossain, Faruque M ^a   Evteev, Alexander V ^a   Belova, Irina V ^a   Nowotny, Janusz ^b   Murch, Graeme E ^a  

^a UNIVERSITY OF NEWCASTLE   (Australia)

^b UNIVERSITY OF WESTERN SYDNEY   (Australia)

Author keywords

DFT; Electronic structure; Nanotubes; Optical properties

Indexed keywords

ANATASE TIO; ATOMIC ARRANGEMENT; AXIAL DIRECTION; BAND GAPS; BAND-GAP MODIFICATION; DENSITY OF STATE; DFT; DIELECTRIC FUNCTIONS; DIRECT BAND GAP; DISCRETE ENERGY LEVELS; ELECTRONIC STRUCTURE CALCULATIONS; IMAGINARY PARTS; NANOTUBE STRUCTURE; PHOTON ENERGY; PSEUDOPOTENTIALS; STRUCTURAL DIFFERENCES; TIO; TUBE WALLS;

DENSITY FUNCTIONAL THEORY; ELECTRON MOBILITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; NANOTUBES; OPTICAL TRANSITIONS; TITANIUM DIOXIDE; WALLS (STRUCTURAL PARTITIONS);

STRUCTURAL PROPERTIES;

EID: 77955679225     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2010.04.007     Document Type: Article

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