Evidence for Fe 2+ in wurtzite coordination: Iron doping stabilizes ZnO nanoparticles

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Volumn 7, Issue 20, 2011, Pages 2879-2886

  Xiao, Jianping ^a,b   Kuc, Agnieszka ^a   Pokhrel, Suman ^b   Schowalter, Marco ^b   Parlapalli, Satyam ^b   Rosenauer, Andreas ^b   Frauenheim, Thomas ^b   Mädler, Lutz ^b   Pettersson, Lars G M ^c   Heine, Thomas ^a  

^a JACOBS UNIVERSITY BREMEN   (Germany)

^b UNIVERSITY OF BREMEN   (Germany)

^c ALBANOVA UNIVERSITY CENTER   (Sweden)

Author keywords

density functional theory; doping; iron; nanoparticles; zinc oxide

Indexed keywords

FE-DOPED; FIRST-PRINCIPLES CALCULATION; FLAME SPRAY PYROLYSIS; FORMATION ENERGIES; HIGH RESOLUTION; INNER-SHELL ELECTRONS; INTERSTITIAL OXYGEN; IRON DOPING; LATTICE SITES; ROCK SALT; VALIDATION STUDY; VARIOUS DENSITIES; WURTZITES; X-RAY ABSORPTION NEAR-EDGE STRUCTURE; ZINC VACANCY; ZNO; ZNO NANOPARTICLES;

ABSORPTION; ABSORPTION SPECTROSCOPY; ATOMIC SPECTROSCOPY; CALCULATIONS; CRYSTAL DEFECTS; DOPING (ADDITIVES); ELECTROMAGNETIC WAVE ABSORPTION; ELECTRON ENERGY LOSS SPECTROSCOPY; ELECTRONIC PROPERTIES; ENERGY DISSIPATION; FLAME SPRAYING; IRON; IRON OXIDES; PROTECTIVE COATINGS; SPRAY PYROLYSIS; ZINC; ZINC OXIDE; ZINC SULFIDE;

NANOPARTICLES;

IRON; NANOPARTICLE; ZINC OXIDE;

ARTICLE; CHEMISTRY; METHODOLOGY; NANOTECHNOLOGY; TRANSMISSION ELECTRON MICROSCOPY; ULTRASTRUCTURE;

IRON; MICROSCOPY, ELECTRON, TRANSMISSION; NANOPARTICLES; NANOTECHNOLOGY; ZINC OXIDE;

EID: 80054016196     PISSN: 16136810     EISSN: 16136829     Source Type: Journal    
DOI: 10.1002/smll.201100963     Document Type: Article

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