Self-diffusion on Au(100): A density functional theory study

ChemPhysChem

Volumn 11, Issue 7, 2010, Pages 1395-1404

  Pötting, Kay ^a   Schmickler, Wolfgang ^a   Jacob, Timo ^a  

^a UNIVERSITY OF ULM   (Germany)

Author keywords

Density functional calculations; Diffusion; Electrochemistry; Gold; Transition state theory

Indexed keywords

BINDING ENERGY; CHEMICAL BONDS; DIFFUSION; ELECTROCHEMISTRY; GOLD; INTELLIGENT SYSTEMS; MONTE CARLO METHODS; POTENTIAL ENERGY; QUANTUM CHEMISTRY; RATE CONSTANTS; SURFACE DEFECTS;

CHEMICAL BONDINGS; DENSITY FUNCTIONAL THEORY STUDIES; DIFFUSION RATE CONSTANTS; EXPERIMENTAL VERIFICATION; KINETIC MONTE CARLO SIMULATION; MIGRATION PATHWAY; SELF DIFFUSION MECHANISM; TRANSITION STATE THEORIES;

DENSITY FUNCTIONAL THEORY;

EID: 77952212842     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200900807     Document Type: Article

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