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Surface Science

Volumn 411, Issue 1-2, 1998, Pages 123-136

Hydrogen adsorption on palladium: A comparative theoretical study of different surfaces

(5) Dong, W a,b Ledentu, V a,b Sautet, Ph a,b Eichler, A c Hafner, J c

a CNRS (France)

b UNIVERSITÉ DE LYON (France)

c VIENNA UNIVERSITY OF TECHNOLOGY (Austria)

Author keywords

Ab initio quantum chemical methods and calculations; Adatoms; Chemisorption; Density functional calculations; Hydrogen; Low index single crystal surfaces; Metallic surfaces; Palladium

Indexed keywords

APPROXIMATION THEORY; CATALYST ACTIVITY; CHEMISORPTION; CRYSTAL ORIENTATION; DIFFUSION IN SOLIDS; ELECTRONIC STRUCTURE; GAS ADSORPTION; HYDROGEN; MORPHOLOGY; RELAXATION PROCESSES; SURFACE PHENOMENA; SURFACE ROUGHNESS;

DENSITY FUNCTIONAL THEORY (DFT); GENERALIZED GRADIENT APPROXIMATION (GGA); LOW INDEX SINGLE CRYSTALS;

PALLADIUM;

EID: 0032140252 PISSN: 00396028 EISSN: None Source Type: Journal
DOI: 10.1016/S0039-6028(98)00354-9 Document Type: Article

Times cited : (204)

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