Theoretical study of the structures of MgO(1 0 0)-supported Au clusters

Surface Science

Volumn 603, Issue 6, 2009, Pages 881-886

  Cheng, Daojian ^a,b   Lan, Jianhui ^a   Wang, Wenchuan ^a   Cao, Dapeng ^a  

^a BEIJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

^b UNIVERSITÉ LIBRE DE BRUXELLES   (Belgium)

Author keywords

Au MgO; First principle calculations; Gold clusters; Monte Carlo simulation; Potential energy surface

Indexed keywords

AU CLUSTERS; AU-MGO; CANONICAL MONTE CARLO; EPITAXIAL STRUCTURES; FIRST-PRINCIPLE CALCULATIONS; GOLD CLUSTERS; MGO(1 0 0); MONTE CARLO SIMULATION; SECOND MOMENT APPROXIMATIONS; THEORETICAL STUDIES; TIGHT-BINDING POTENTIALS;

ATOMS; GOLD COMPOUNDS; MONTE CARLO METHODS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SOLID STATE PHYSICS;

GOLD;

EID: 67650136134     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2009.01.039     Document Type: Article

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