Electronic conductivity and stability of doped titania (Ti 1-xMxO2, M = Nb, Ru, and Ta)- A density functional Theory-Based comparison

Journal of Physical Chemistry C

Volumn 114, Issue 31, 2010, Pages 13162-13167

  Dy, Eben ^a   Hui, Rob ^a   Zhang, Jiujun ^a   Liu, Zhong Sheng ^a   Shi, Zheng ^a  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; BAND GAPS; CONDUCTION STATE; D-ELECTRONS; DOPANT CONCENTRATIONS; DOPED TITANIA; EFFECT OF DOPANTS; ELECTRICAL CONDUCTIVITY; ELECTRON DENSITIES; ELECTRONIC CONDUCTIVITY; FREE-ENERGY CALCULATIONS; LATTICE EXPANSION; MOLE FRACTION; RU-DOPING; RUTILE PHASE; RUTILE STRUCTURE;

CARRIER CONCENTRATION; DENSITY FUNCTIONAL THEORY; ELECTRIC CONDUCTIVITY; ELECTRON DENSITY MEASUREMENT; FERMI LEVEL; FERMIONS; FREE ENERGY; OXIDE MINERALS; SEMICONDUCTOR DOPING; TITANIUM DIOXIDE;

TANTALUM;

EID: 77955396972     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp100826g     Document Type: Article

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