Segregation and internal structures in the bimetallic clusters: Density functional theory and molecular dynamics simulation

Journal of Nanoscience and Nanotechnology

Volumn 9, Issue 4, 2009, Pages 2553-2557

  Ryu, Ji Hoon ^a   Hyun, You Kim ^a   Kim, Da Hye ^a   Choi, Si Kyung ^a   Mo Lee Lj, Hyuck ^a  

^a Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

Author keywords

Bimetallic cluster; Density functional theory; Molecular dynamics simulation; Segregation

Indexed keywords

ATOMS; BINDING ENERGY; COALESCENCE; DYNAMICS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; SEGREGATION (METALLOGRAPHY); TRANSITION METALS;

ATOMIC BONDS; BIMETALLIC CLUSTER; BIMETALLIC CLUSTERS; DENSITY FUNCTIONAL THEORY CALCULATIONS; INTERNAL STRUCTURE; MIXING ENTHALPY; MOLECULAR DYNAMICS SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; SEGREGATION; SOLUTE ATOMS;

DENSITY FUNCTIONAL THEORY;

EID: 85013888316     PISSN: 15334880     EISSN: None     Source Type: Journal    
DOI: 10.1166/jnn.2009.dk15     Document Type: Article

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