ZnO nanostructures for gas sensing: Interaction of NO2, NO, O, and N with the ZnO(101̄0) surface

Journal of Physical Chemistry C

Volumn 114, Issue 24, 2010, Pages 10881-10893

  Spencer, Michelle J S ^a   Yarovsky, Irene ^a  

^a RMIT UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO MOLECULAR DYNAMICS SIMULATION; ADSORPTION GEOMETRIES; CHARGE DENSITY DIFFERENCE; DENSITY OF STATE; ELECTRON ACCEPTOR; ELECTRON LOCALIZATIONS; ENERGY SITES; GAS SENSING; MD SIMULATION; STOICHIOMETRIC SURFACES; STRUCTURAL CHANGE; SURFACE GEOMETRIES; SURFACE SITES; SURFACE SPECIES; VACANCY SITES; VIBRATIONAL FREQUENCIES; ZNO; ZNO NANOSTRUCTURES;

ADSORBATES; ADSORPTION; BINDING ENERGY; DEFECTS; DENSITY FUNCTIONAL THEORY; DISSOCIATION; MAGNETIC MOMENTS; MOLECULAR DYNAMICS; ZINC; ZINC OXIDE;

ATOMS;

EID: 77953773227     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp1016938     Document Type: Article

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