磷酸银半导体材料的第一性原理计算研究进展

Research Progress of First-principle Calculation about Semiconductor Silver Phosphate

近年来第一性原理已广泛应用于半导体光催化材料性质计算方面,磷酸银在有机物降解方面具有良好的性能,但磷酸银严重的光腐蚀性限制了其推广应用。采用第一性原理计算得到的磷酸银及其相关光催化剂的电子结构、光学性质等方面的信息,对磷酸银的光催化机理有了更加深入的认识。对未来磷酸银的应用发展起到了积极的作用。

In recent years, the first principle has been widely used to calculate the properties of semiconductor photocatalytic materials. Silver phosphate shows good performance in the degradation of organic pollutants, but the serious light corrosion of silver phosphate limits its application in future. In this paper, the information calculated by the first principle about electronic structure and optical properties of silver phosphate and the related photocatalysts were reviewed. The photocatalysis mechanism of silver phosphate has been deeply studied which will do good for the development and application of silver phosphate.