Realistic multisite lattice-gas modeling and KMC simulation of catalytic surface reactions: Kinetics and multiscale spatial behavior for CO-oxidation on metal (1 0 0) surfaces

Progress in Surface Science

Volumn 88, Issue 4, 2013, Pages 393-521

  Liu, Da Jiang ^a   Evans, James W ^a,b  

^a IOWA STATE UNIVERSITY   (United States)

^b IOWA STATE UNIVERSITY   (United States)

Author keywords

CO oxidation; DFT analysis; Heterogeneous multiscale modeling; KMC simulation; Multisite lattice gas models

Indexed keywords

CO OXIDATION; DFT ANALYSIS; KMC SIMULATIONS; LATTICE GAS MODEL; MULTI-SCALE MODELING;

ADSORPTION; CATALYSIS; CATALYSTS; DIFFUSION BARRIERS; IRIDIUM; KINETICS; METALS; OXIDATION; PLATINUM; REACTION KINETICS; SINGLE CRYSTAL SURFACES; STOCHASTIC MODELS; SURFACE REACTIONS; TEMPERATURE PROGRAMMED DESORPTION;

COMPUTER SIMULATION;

EID: 84886733372     PISSN: 00796816     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.progsurf.2013.10.001     Document Type: Review

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