Structural and electronic properties of Au and Au2 on an MgO(100) surface: A DFT cluster embedding approach

Journal of Physical Chemistry C

Volumn 112, Issue 38, 2008, Pages 14919-14928

  Caballero, Reyna ^a   Quintanar, Carlos ^a   Köster, Andreas M ^b   Khanna, Shiv N ^c   Reveles, J Ulises ^c  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^b DEPARTAMENTO DE FÍSICA   (Mexico)

^c VIRGINIA COMMONWEALTH UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; ATOMS; BINDING ENERGY; CHARGE TRANSFER; COLOR CENTERS; DIMERIZATION; DISSOCIATION; ELECTRONIC PROPERTIES; GEOMETRY; ISOMERS; LOCAL DENSITY APPROXIMATION; MAGNESIA; OXYGEN; OXYGEN VACANCIES; PLANTS (BOTANY);

ADSORPTION ENERGIES; FIVE-COORDINATED; GENERALIZED GRADIENT APPROXIMATIONS; GENERALIZED GRADIENTS; LOCALIZED ELECTRONS; LOWEST-ENERGY ISOMERS; SINGLE-POINT ENERGY; STRUCTURAL AND ELECTRONIC PROPERTIES;

GOLD;

EID: 53849100687     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp804355z     Document Type: Article

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