Ab initio study of oxygen point defects on tungsten trioxide surface

Surface Science

Volumn 606, Issue 1-2, 2012, Pages 40-45

  Lambert Mauriat, Caroline ^a,b   Oison, Vincent ^a,b   Saadi, Lama ^a,b   Aguir, Khalifa ^a,b  

^a AIX MARSEILLE UNIVERSITY   (France)

^b Case 322 Lab Modelisation Mecan T   (France)

Author keywords

DFT calculations; Gas sensor; Oxygen point defects; Oxygen vacancy n doping; Surface properties

Indexed keywords

ADATOMS; CALCULATIONS; CHEMICAL SENSORS; ENTHALPY; PARTIAL PRESSURE; POINT DEFECTS; SURFACE DEFECTS; SURFACE PROPERTIES; TUNGSTEN COMPOUNDS;

DFT CALCULATION; ELECTRICAL RESISTIVITY MEASUREMENTS; N-DOPING; NEGATIVE CHARGE CARRIERS; OXYGEN PARTIAL PRESSURE; OXYGEN POINT DEFECTS; RECONSTRUCTED SURFACES; SELF-CONSISTENT SCHEME;

OXYGEN VACANCIES;

EID: 80255137595     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2011.08.018     Document Type: Article

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