Coverage effects in the adsorption of H2 on Pd(100) studied by ab initio molecular dynamics simulations

Journal of Chemical Physics

Volumn 135, Issue 17, 2011, Pages

  Groß, Axel ^a  

^a UNIVERSITY OF ULM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS SIMULATION; ADSORBATE STRUCTURES; ADSORPTION DYNAMICS; ADSORPTION PROBABILITIES; CLEAN SURFACES; COMPLEX PROBLEMS; COMPUTER POWER; CORRUGATED SURFACES; DYNAMICAL EFFECTS; METAL SURFACES; MODEL SYSTEM; PERIODIC DENSITY FUNCTIONAL THEORY; STICKING PROBABILITY; SUBSTRATE ATOM;

ADSORBATES; CALCULATIONS; DENSITY FUNCTIONAL THEORY; DYNAMIC RESPONSE; ELECTRON ENERGY LOSS SPECTROSCOPY; ELECTRONIC STRUCTURE; HYDROGEN; KINETIC ENERGY; KINETICS; MOLECULAR DYNAMICS; PALLADIUM; PROBABILITY; SUBSTRATES;

ADSORPTION;

EID: 80855156831     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3656765     Document Type: Article

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