Hydrogen-induced metallization of zinc oxide (2 1̄ 1̄ 0) surface and nanowires: The effect of curvature

Physical Review B - Condensed Matter and Materials Physics

Volumn 77, Issue 24, 2008, Pages

  Wang, Chenchen ^a   Zhou, Gang ^a   Li, Jia ^a   Yan, Binghai ^a   Duan, Wenhui ^a  

^a TSINGHUA UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 44949224944     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.77.245303     Document Type: Article

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33. Binding energy is defined as Eb = [- Et (nanowire+H) + Et (nanowire) + Et (H atom)] /N (H)), where Et (H atom), Et (nanowire+H), and Et (nanowire), respectively, denote the total energies of isolated H atom, the nanowires with and without H, and the N (H) is the number of H atoms in one supercell.