摘要
采用溶胶凝胶法制备了掺杂Pt(Ⅳ)的TiO_2薄膜电极,以此电极为工作电极,建立了光电催化体系.在外加电极电位+0.1V、溶液pH=4.0、紫外光照60min的条件下,可使酸性红B(ARB)的降解率达到98%,COD去除率达到94%.采用平面波赝势(PWPP)方法计算密度泛函(DFT)总能量,模拟计算Pt(Ⅳ)掺杂对TiO_2光催化活性的影响.结果表明,Pt(Ⅳ)掺杂锐钛矿TiO_2晶体后禁带(Eg)变小,TiO_2的费米能级降低,使电子-空穴在表面的复合几率降低,增强了光催化的活性.
The TiO2 thin film electrode doped with Pt （IV） was prepared by sol-gel method, and the photoelectrocatalytic system was established. The system was used to degrade acid red B （ARB） in aqueous solution. The results showed that under the conditions of external bias potential ＋0.1 V, pH= 4.0 and 60 rain irradiation, the degradation efficiency of ARB reached 98%, and the removal percentage of COD reached 94%. The photocatalytic activity of TiO2 doped by Pt （IV） was simulated with relativistic density functional theory （DFT） with plane wave pseudo potentials （PWPP）. The results show that the band gap of TiO2 doped by Pt （Ⅳ） became narrow and Fermi level is dropped. It indicated that the composition of e and h＋ c is reduced and the photocatalytic activity is enhanced.
作者
许磊
易江龙
XU Lei YI Jianglong(Guangdong Welding Institute （China-Ukraine E. O. Paton Institute of Welding） ,Guangzhou 510650 ,China)
出处
《材料研究与应用》
CAS
2017年第2期79-83,共5页
Materials Research and Application
关键词
光电催化
TIO2
PT掺杂
降解
平面波赝势
photoelectrocatalysis
Ti02
Pt（IV） doped
degradation
plane wave pseudo potential
