Molecular dynamics simulation of O2 sticking on Pt(111) using the ab initio based ReaxFF reactive force field

Journal of Chemical Physics

Volumn 133, Issue 8, 2010, Pages

  Valentini, Paolo ^a   Schwartzentruber, Thomas E ^a   Cozmuta, Ioana ^b  

^a University of Minnesota   (United States)

^b NASA AMES RESEARCH CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ADSORPTION DYNAMICS; BEAM ENERGIES; ENERGY RANGES; EXPERIMENTAL DATA; INCIDENT ENERGY; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR DYNAMICS TECHNIQUES; NORMAL AND OBLIQUE IMPACT; OBLIQUE IMPACT; PT(111); QUANTITATIVE AGREEMENT; REACTIVE FORCE FIELD; ROTATIONAL ENERGY; STEERING MECHANISMS; STERIC HINDRANCES; STICKING PROBABILITY; SURFACE NORMALS; TRAPPING PROBABILITIES;

ANGULAR DISTRIBUTION; DENSITY FUNCTIONAL THEORY; ELECTRON ENERGY LOSS SPECTROSCOPY; KINETIC ENERGY; MOLECULAR BEAMS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; PHYSISORPTION; PLATINUM; QUANTUM CHEMISTRY;

PROBABILITY;

EID: 77956316234     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3469810     Document Type: Article

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