Small gold species at hydroxylated alumina surfaces. A computational study using embedded-cluster models of α-Al2O3(0001)

Chemical Physics Letters

Volumn 494, Issue 4-6, 2010, Pages 243-248

  Nasluzov, Vladimir A ^a,b   Shulimovich, Tatyana V ^a   Ivanova Shor, Elena A ^a,b   Shor, Aleksey M ^a   Rösch, Notker ^c  

^a INSTITUTE OF CHEMISTRY AND CHEMICAL TECHNOLOGY   (Russian Federation)

^b SIBERIAN FEDERAL UNIVERSITY   (Russian Federation)

^c TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION COMPLEX; ADSORPTION ENERGIES; ALUMINA SURFACE; CLUSTER MODELS; COMPUTATIONAL STUDIES; COORDINATION BONDS; DENSITY-FUNCTIONAL METHODS; ELASTIC POLARIZABLE ENVIRONMENT; EQUILIBRIUM STRUCTURES; GRADIENT-CORRECTED; HYDROXYL GROUPS; MODEL SURFACE; OH GROUP; STABLE COMPLEXES; STABLE STRUCTURES;

ADSORPTION; COORDINATION REACTIONS; OLIGOMERS;

GOLD COMPOUNDS;

EID: 77955306456     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.06.004     Document Type: Article

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