A computational study of doped olivine structured Cd2GeO4: local defect trapping of interstitial oxide ions.

Abstract

Computational modelling techniques have been employed to investigate defects and ionic conductivity in Cd2GeO4. We show due to highly unfavourable intrinsic defect formation energies the ionic conducting ability of pristine Cd2GeO4 is extremely limited. The modelling results suggest trivalent doping on the Cd site as a viable means of promoting the… (More)

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