Initial sticking of O2 modeled by nonadiabatic charge transfer

Surface Science

Volumn 532-535, Issue , 2003, Pages 126-131

  Hellman, A ^a   Razaznejad, B ^a   Yourdshahyan, Y ^b   Ternow, H ^a   Zoric I ^a   Lundqvist, B I ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

^b UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

Adsorption kinetics; Atom solid interactions; Density functional calculations; Molecular dynamics; Oxidation; Sticking; Surface electronic phenomena (work function, surface potential, surface states, etc.)

Indexed keywords

CHARGE TRANSFER; MOLECULAR DYNAMICS; OXIDATION; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; VAN DER WAALS FORCES;

NONADIABATIC CHARGE TRANSFER;

OXYGEN;

EID: 0037512473     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(03)00111-0     Document Type: Conference Paper

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