Ab initio molecular dynamics simulations of the O2/Pt(1 1 1) interaction

Catalysis Today

Volumn 260, Issue , 2016, Pages 60-65

  Groß, Axel ^a  

^a UNIVERSITY OF ULM   (Germany)

Author keywords

Adsorption; Density functional calculations; Dissociation; Energy transfer; Oxygen; Platinum

Indexed keywords

ADSORPTION; ATMOSPHERIC TEMPERATURE; CALCULATIONS; DISSOCIATION; ENERGY TRANSFER; KINETIC ENERGY; KINETICS; MOLECULAR DYNAMICS; MOLECULAR OXYGEN; OXYGEN; PLATINUM; SURFACE PROPERTIES;

AB INITIO MOLECULAR DYNAMICS SIMULATION; ADSORPTION PROBABILITIES; DFT CALCULATION; INITIAL KINETICS; LOW SURFACE TEMPERATURE; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR STATE; SURFACE TEMPERATURES;

DENSITY FUNCTIONAL THEORY;

EID: 84947863418     PISSN: 09205861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cattod.2015.04.040     Document Type: Article

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