摘要
贵金属沉积二氧化钛(TiO_(2))等离子光催化剂由于具有高的光催化效率和高的可见光利用率被广泛研究,但贵金属对TiO_(2)光催化性能的影响机理尚不清楚。本文基于密度泛函理论的第一性原理,从微观上探讨了不同大小的Ag簇对TiO_(2)催化剂的电子结构和光学性质的影响,揭示了等离子体共振光催化的物理机制。研究发现Ag簇中的原子个数在1~4时,TiO_(2)的带隙在不同程度上有所减小。沉积后体系的复介电函数和复折射率均有所提高;在可见光范围内,沉积3个原子的Ag簇形成的体系的光吸收性能最佳,可以为等离子光催化剂在工业上的应用提供理论指导。
Noble metal deposition of titanium dioxide(TiO_(2))plasma photocatalyst has been widely studied due to its high photocatalytic efficiency and visible light utilization.However,the influence mechanism of noble metal deposition on TiO_(2) photocatalytic performance remains unclear.Based on the first principles of density functional theory,the influence of Ag clusters of different sizes on the electronic structure and optical properties of TiO_(2) catalysts were discussed from the microscopic perspective,and the physical mechanism of plasma resonance photocatalysis was revealed.It is found that when the number of atoms in Ag cluster is in the range of 1~4,the band gap of TiO_(2) decreases to some extent.After deposition,the complex dielectric function and complex refractive index of the systems are improved.In the visible light range,the system formed by the deposition of three atoms Ag cluster has the best light absorption performance,which can provide theoretical guidance for industrial application of plasma photocatalyst.
作者
赵翠华
唐顶
吴天宇
郑开烨
虞杰
ZHAO Cui-hua;TANG Ding;WU Tian-yu;ZHENG Kai-ye;YU Jie(School of Resources,Environment and Materials,Guangxi University,Nanning 530004,China)
出处
《广西大学学报（自然科学版）》
CAS
北大核心
2021年第6期1610-1619,共10页
Journal of Guangxi University（Natural Science Edition）
基金
国家自然科学基金资助项目(51964004)。
