Density functional theory investigation of H adsorption on the basal plane of boron-doped graphite

Journal of Chemical Physics

Volumn 118, Issue 12, 2003, Pages 5650-5657

  Ferro, Y ^a   Marinelli, F ^a   Allouche, A ^a   Brosset, C ^b  

^a CNRS   (France)

^b IRFM   (France)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BINDING ENERGY; CHEMICAL BONDS; COMPUTER SIMULATION; ELECTRONIC PROPERTIES; GRAPHITE; HYDROGEN; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; RELAXATION PROCESSES; SURFACE TREATMENT;

BORON DOPED GRAPHITE; DENSITY FUNCTIONAL THEORY; ELECTRONIC PERTURBATION; POTENTIAL ENERGY SURFACE;

ADSORPTION;

EID: 0037461003     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1556091     Document Type: Article

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