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Volumn 496, Issue 3, 2002, Pages 318-330

First-principles study of the structural and energetic properties of H atoms on a graphite (0 0 0 1) surface

a UNIVERSITY OF MASSACHUSETTS (United States)

Author keywords

Atom solid interactions; Chemisorption; Density functional calculations; Graphite; Hydrogen atom; Low index single crystal surfaces; Physical adsorption; Surface relaxation and reconstruction

Indexed keywords

ADSORPTION; APPROXIMATION THEORY; BINDING ENERGY; CHEMICAL RELAXATION; CHEMISORPTION; ELECTRONIC STRUCTURE; GRADIENT METHODS; GRAPHITE; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SCATTERING; SINGLE CRYSTALS; SURFACE REACTIONS;

QUANTUM SCATTERING; SURFACE RECONSTRUCTION;

HYDROGEN;

EID: 0037050248 PISSN: 00396028 EISSN: None Source Type: Journal
DOI: 10.1016/S0039-6028(01)01602-8 Document Type: Article

Times cited : (309)

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