Electronic and optical properties of CoX2O4 (X = Al, Ga, In) alloys

• DOI: 10.1063/1.3676039
• Publication Date: 2012-01-11T14:23:51Z
• Authors: Chunbao Feng; Wan-Jian Yin; Jinlan Nie; Xiaotao Zu; Muhammad N. Huda; Su-Huai Wei; Mowafak M. Al-Jassim; John A. Turner; Yanfa Yan
• Keywords: 0103 physical sciences; 01 natural sciences

The electronic and optical properties of Co based spinel oxides, CoX2O4 (X = Al, Ga, In) are calculated using first-principle density functional theory. We show that the desirable for solar photoconversion can be obtained by controlling alloy compositions. ability to manipulate is attributed different s-orbital energies sizes cations. Our bandgaps as function composition provide detailed practical guidance synthesizing oxides with necessary achieve high efficiency photoelectrochemical decomposition water hydrogen production sunlight.