Monte Carlo simulation of surface segregation phenomena in extended and nanoparticle surfaces of PtPd alloys

Journal of Physics Condensed Matter

Volumn 23, Issue 47, 2011, Pages

  Duan, Zhiyao ^a   Wang, Guofeng ^a  

^a University of Pittsburgh   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COHESIVE ENERGIES; CUBO-OCTAHEDRAL NANOPARTICLES; DENSITY FUNCTIONAL THEORY CALCULATIONS; EXPERIMENTAL VALUES; EXTENDED SURFACES; HEAT OF FORMATION; MODIFIED EMBEDDED ATOM METHODS; MONTE CARLO SIMULATION; MONTE CARLO SIMULATIONS; NANOPARTICLE SURFACE; PD ATOMS; SEGREGATION PHENOMENA; SURFACE ENERGIES; THREE-LAYER;

ALLOYS; ATOMS; CERIUM ALLOYS; COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; INTERFACIAL ENERGY; LATTICE CONSTANTS; MOLECULAR DYNAMICS; NANOPARTICLES; PLATINUM; PLATINUM ALLOYS; SURFACE CHEMISTRY; SURFACE SEGREGATION; THERMOCHEMISTRY;

MONTE CARLO METHODS;

EID: 82455209476     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/23/47/475301     Document Type: Article

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