正交晶系
光电流
复合数
密度泛函理论
材料科学
漫反射红外傅里叶变换
带隙
可见光谱
光催化
光电子学
光学
化学
物理
计算化学
复合材料
衍射
生物化学
催化作用
作者
Dennis P. Butcher,Andrew A. Gewirth
摘要
This work presents photoelectrochemical characteristics of TlVO4, a previously uncharacterized candidate for photocatalytic water splitting. Additionally, a composite of InVO4 and TlVO4 was synthesized by a facile solution method using orthorhombic InVO4 as a seed for growth of crystallographically similar orthorhombic TlVO4. Photoelectrochemical measurements indicate an increase in photocurrent and more negative flatband potentials for TlVO4 and the InVO4:TlVO4 composite relative to InVO4. Diffuse reflectance UV−visible measurements were used to determine bandgaps of 3.50 eV, 2.94 eV, and 2.98 eV for InVO4, TlVO4, and InVO4:TlVO4, respectively. Density functional theory (DFT) calculations were performed to elucidate the band structures and correlate well with experimental data. The results indicate higher photoelectrochemical activity for TlVO4 and the InVO4:TlVO4 composite relative to InVO4.
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