An off-lattice model for Br electrodeposition on Au(1 0 0): From DFT to experiment

Surface Science

Volumn 563, Issue 1-3, 2004, Pages 169-182

  Mitchell, S J ^a   Koper, M T M ^a  

^a EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

Adsorption isotherms; Bromine; Construction and use of effective interatomic interactions; Density functional calculations; Low index single crystal surfaces; Monte Carlo simulations

Indexed keywords

ADSORPTION ISOTHERMS; CARRIER CONCENTRATION; COMPUTER SIMULATION; CRYSTAL LATTICES; ELECTRIC CHARGE; ELECTROCHEMISTRY; ELECTRODEPOSITION; MOLECULAR DYNAMICS; PARAMETER ESTIMATION; X RAY ANALYSIS;

CONSTRUCTION AND USE OF EFFECTIVE INTERATOMIC INTERACTIONS; DENSITY FUNCTIONAL CALCULATIONS; DENSITY FUNCTIONAL THEORY (DFT); LOW INDEX SINGLE CRYSTAL SURFACES; SURFACE X-RAY SCATTERING;

SURFACE REACTIONS;

EID: 3242684197     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2004.06.166     Document Type: Article

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