Electronic and Optical Properties of CoX2O4 (X=Al, Ga, In) Alloys

Chunbao Feng, Wan Jian Yin, Jinlan Nie, Xiaotao Zu, Muhammad N. Huda, Su Huai Wei, Mowafak M. Al-Jassim, John A. Turner, Yanfa Yan

Research output: Contribution to journalArticlepeer-review

16 Scopus Citations

Abstract

The electronic and optical properties of Co based spinel oxides, CoX 2O 4 (X = Al, Ga, In) are calculated using first-principle density functional theory. We show that the desirable properties for solar photoconversion can be obtained by controlling the alloy compositions. The ability to manipulate the electronic and optical properties is attributed to the different s-orbital energies and sizes of the cations. Our calculated bandgaps as function of composition provide detailed practical guidance for synthesizing Co based spinel oxides with electronic and optical properties necessary to achieve high efficiency photoelectrochemical decomposition of water for hydrogen production by sunlight.

Original languageAmerican English
Article number023901
Number of pages4
JournalApplied Physics Letters
Volume100
Issue number2
DOIs
StatePublished - 9 Jan 2012

NREL Publication Number

  • NREL/JA-5200-54303

Keywords

  • alloys
  • solar energy

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