Hydrogen adsorption on the ZnO (1100) surface: Ab initio hybrid density functional linear combination of atomic orbitals calculations

Physica Scripta

Volumn 89, Issue 4, 2014, Pages

  Usseinov, A B ^a   Kotomin, E A ^b,c   Akilbekov, A T ^a   Zhukovskii, Yu F ^b   Purans, J ^b  

^a L N GUMILYOV EURASIAN NATIONAL UNIVERSITY   (Kazakhstan)

^b UNIVERSITY OF LATVIA   (Latvia)

^c MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

Author keywords

hydrogen incorporation; shallow donor; surface relaxation and metallization; zinc oxide

Indexed keywords

ATOMS; CALCULATIONS; ELECTRIC CONDUCTIVITY; ELECTRONIC STRUCTURE; HYDROGEN; METALLIZING; ZINC OXIDE;

ELECTRICAL CONDUCTIVITY; ELECTRONIC CONDUCTIVITY; ELECTRONIC DENSITY; HYBRID DENSITY FUNCTIONAL; HYDROGEN ADSORPTION; HYDROGEN INCORPORATION; LINEAR COMBINATION OF ATOMIC ORBITALS; SHALLOW DONORS;

QUANTUM CHEMISTRY;

EID: 84897501758     PISSN: 00318949     EISSN: 14024896     Source Type: Journal    
DOI: 10.1088/0031-8949/89/04/045801     Document Type: Article

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