Periodic DFT study of isomorphous incorporation of a V ion into (100) and (001) anatase surface layers

Surface Review and Letters

Volumn 9, Issue 3-4, 2002, Pages 1425-1430

  Kachurovskaya, Nelly A ^a,b   Zhidomirov, Georgii M ^b   Minot, Christian ^a,b  

^a LABORATOIRE DE CHIMIE THÉORIQUE   (France)

^b BORESKOV INSTITUTE OF CATALYSIS   (Russian Federation)

Author keywords

Periodic DFT calculations; Supported catalyst; VOx TiO2;

Indexed keywords

TITANIUM DIOXIDE; VANADIUM PENTOXIDE;

ADSORPTION; ARTICLE; CATALYST; MOLECULAR DYNAMICS; MOLECULAR STABILITY; SURFACE PROPERTY;

EID: 0036619454     PISSN: 0218625X     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0218625X02003962     Document Type: Article

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