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Surface Science

Volumn 422, Issue 1-3, 1999, Pages 1-7

Ab initio study of hydrogen adsorption on the ZnO (1010) surface

(3) Zapol, Peter a,c Jaffe, John B b Hess, Anthony C b

a MICHIGAN TECHNOLOGICAL UNIVERSITY (United States)

b PACIFIC NORTHWEST NATIONAL LABORATORY (United States)

c ARGONNE NATIONAL LABORATORY (United States)

Author keywords

Ab initio quantum chemical methods and calculations; Adatoms; Chemisorption; Hydrogen; Physical adsorption; Single crystal surfaces; Surface relaxation and reconstruction; Zinc oxide

Indexed keywords

CHEMISORPTION; CORRELATION METHODS; DISSOCIATION; HYDROGEN; QUANTUM THEORY; RELAXATION OSCILLATORS; SINGLE CRYSTALS; SURFACE PHENOMENA; SURFACE TREATMENT; ZINC OXIDE;

AB INITIO QUANTUM CHEMICAL METHODS; ADATOMS; HARTREE-FOCK THEORY; SURFACE RECONSTRUCTION; SURFACE RELAXATION;

GAS ADSORPTION;

EID: 0033076673 PISSN: 00396028 EISSN: None Source Type: Journal
DOI: 10.1016/S0039-6028(98)00750-X Document Type: Article

Times cited : (42)

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