First-principles molecular-dynamics calculations and STM observations of dissociative adsorption of Cl2 and F2 on Si(0 0 1) surface

Surface Science

Volumn 515, Issue 2-3, 2002, Pages 287-295

  Okada, Hiromi ^a   Inagaki, Kouji ^a   Goto, Hidekazu ^a,b   Endo, Katsuyoshi ^a   Hirose, Kikuji ^a   Mori, Yuzo ^a  

^a OSAKA UNIVERSITY   (Japan)

^b KYOTO INSTITUTE OF TECHNOLOGY   (Japan)

Author keywords

Chemisorption; Chlorine; Computer simulations; Density functional calculations; Halogens; Models of surface chemical reactions; Molecular dynamics; Silicon

Indexed keywords

ADSORPTION; CHEMICAL BONDS; CHEMISORPTION; COMPUTER SIMULATION; DIMERS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; SURFACE CHEMISTRY;

DISSOCIATIVE ADSORPTION;

SURFACE REACTIONS;

EID: 0036720463     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(02)01776-4     Document Type: Article

References (22)