Green coloration of Co-doped ZnO explained from structural refinement and bond considerations.

Inorg Chem

Bordeaux Institute of Condensed Matter Chemistry, ICMCB-CNRS, 87 avenue du Dr Albert Schweitzer, 33608, Pessac Cedex, France.

Published: December 2007

ZnO doped with Co2+ has been prepared by a Pechini process and investigated in terms of crystallographic structure and UV-visible properties. We emphasize for the first time a splitting of the ZnO band gap in two "sub-band gaps" (never clearly mentioned until now) which is fully interpreted basing on the iono-covalent nature of the O-Zn bonds. An anticipative approach of the potential structure relaxations was discussed from exchanged effective charge per bond calculated with the purely ionic Brown and Altermatt model.

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http://dx.doi.org/10.1021/ic701157jDOI Listing

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