Anionic or cationic S-doping in bulk anatase TiO2: Insights on optical absorption from first principles calculations

Journal of Physical Chemistry C

Volumn 117, Issue 17, 2013, Pages 8892-8902

  Harb, M ^a,b   Sautet, P ^c   Raybaud, P ^b  

^a KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Saudi Arabia)

^b IFP ENERGIES NOUVELLES   (France)

^c UNIVERSITÉ DE LYON   (France)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONALS; ENERGETIC PROPERTIES; EXCHANGE-CORRELATION FUNCTIONALS; FIRST-PRINCIPLES CALCULATION; INTERSTITIAL POSITIONS; STANDARD CONDITIONS; THERMO DYNAMIC ANALYSIS; THERMODYNAMIC CONDITIONS;

CHEMICAL POTENTIAL; LIGHT ABSORPTION; OPTICAL PROPERTIES; OXYGEN; SULFUR; SULFUR DIOXIDE; THERMOANALYSIS; THIOUREAS;

TITANIUM DIOXIDE;

EID: 84877070162     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp312197g     Document Type: Article

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