First-principles calculation of hydrogen diffusion barriers on Si(001)-2 × 1 surface

Journal of Computational and Theoretical Nanoscience

Volumn 2, Issue 2, 2005, Pages 293-297

  Peng, Jingping ^a   Mann, David J ^a   Randall, John ^a  

^a ZYVEX CORPORATION   (United States)

Author keywords

Density functional calculations; Diffusion and migration; Hydrogen atom; Models of surface chemical reactions; Silicon

Indexed keywords

APPROXIMATION THEORY; DIFFUSION; HYDROGEN; PROBABILITY DENSITY FUNCTION; SILICON; SURFACE REACTIONS;

DENSITY FUNCTIONAL CALCULATIONS; HYDROGEN DIFFUSION BARRIERS; SURFACE CHEMICAL REACTIONS MODELS;

SURFACE CHEMISTRY;

EID: 27644531630     PISSN: 15461955     EISSN: None     Source Type: Journal    
DOI: 10.1166/jctn.2005.114     Document Type: Article

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