Equilibrium geometries, stabilities, and electronic properties of the bimetallic M2-doped Aun (M = Ag, Cu; n = 1-10) clusters: Comparison with pure gold clusters

Journal of Physical Chemistry A

Volumn 115, Issue 5, 2011, Pages 569-576

  Zhao, Ya Ru ^a   Kuang, Xiao Yu ^a,b   Zheng, Bao Bing ^c   Li, Yan Fang ^a   Wang, Su Juan ^a  

^a SICHUAN UNIVERSITY   (China)

^b INTERNATIONAL CENTRE FOR MATERIALS PHYSICS   (China)

^c BAOJI UNIVERSITY OF ARTS AND SCIENCES   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL HARDNESS; CLUSTER SIZES; DENSITY-FUNCTIONAL METHODS; EQUILIBRIUM GEOMETRIES; FRAGMENTATION ENERGY; GEOMETRICAL STRUCTURE; GOLD CLUSTERS; GROWTH PATTERNS; HOMO-LUMO GAPS; OPTIMIZED GEOMETRIES; PLANAR STRUCTURE; POLARIZABILITIES; RELATIVE STABILITIES; RELATIVISTIC EFFECTIVE CORE POTENTIALS; SECOND ORDERS;

BINDING ENERGY; CHARGE TRANSFER; CHEMICAL ANALYSIS; ELECTRONIC PROPERTIES; GEOMETRY; ION EXCHANGE; ISOMERS;

GOLD COMPOUNDS;

ALLOY; COPPER; GOLD; GOLD ALLOY; SILVER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CLUSTER ANALYSIS; COMPARATIVE STUDY; ELECTROCHEMISTRY; ELECTRON; ISOMERISM; MOLECULAR DYNAMICS;

ALLOYS; CLUSTER ANALYSIS; COPPER; ELECTROCHEMISTRY; ELECTRONS; GOLD; GOLD ALLOYS; ISOMERISM; MODELS, CHEMICAL; MOLECULAR DYNAMICS SIMULATION; SILVER;

EID: 79851474615     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp108695z     Document Type: Article

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