Defect chemistry of rutile TiO2 from first principles calculations

Journal of Physical Chemistry C

Volumn 117, Issue 11, 2013, Pages 5919-5930

  Bjørheim, Tor S ^a   Kuwabara, Akihide ^b   Norby, Truls ^a  

^a UNIVERSITY OF OSLO   (Norway)

^b JAPAN FINE CERAMICS CENTER   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

DEFECT CALCULATIONS; FINITE TEMPERATURES; FIRST-PRINCIPLES CALCULATION; OXIDIZING CONDITIONS; OXYGEN INTERSTITIALS; PHOTOCATALYTIC PROPERTY; THERMODYNAMIC EQUILIBRIA; THERMODYNAMIC MODELING;

DEFECT STRUCTURES; DEFECTS; OXIDE MINERALS; PHOTOCATALYSIS; THERMODYNAMICS; TITANIUM DIOXIDE;

TEMPERATURE;

EID: 84875415741     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp304146e     Document Type: Article

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