Electronic structure and stability of peroxide divanadate species V(O-O) on the TiO2(001) surface reconstructed

Journal of Physical Chemistry C

Volumn 113, Issue 33, 2009, Pages 14941-14945

  Avdeev, Vasilii I ^a   Tapilin, Vladimir M ^a  

^a BORESKOV INSTITUTE OF CATALYSIS   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

DIOXYGENS; GASPHASE; MARS-VAN KREVELEN; PERIODIC DENSITY FUNCTIONAL THEORY CALCULATIONS; PROJECTED DENSITY OF STATE; RECONSTRUCTED SURFACES; REDOX CYCLES; STRUCTURE RELAXATION; TIO; TOTAL DENSITY OF STATE; VANADYL;

BINDING ENERGY; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; MONOLAYERS; OXIDATION; SURFACE RELAXATION; TITANIUM DIOXIDE; TITANIUM OXIDES; VANADIUM COMPOUNDS;

SURFACE STRUCTURE;

EID: 69049091026     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp904211a     Document Type: Article

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