Sn掺杂锐钛矿TiO_2薄膜的光催化活性及其能带结构  

Energy Band Structure and Photocatalytic Activity of Sn-doped TiO_2 Thin Film

作　　者：郑树凯[1,2] 吴国浩[1,2] 张俊英[3] 康健楠[1,2] 王芳[1,2] 赵瑞[1,2] 刘素平[1,2] 刘磊[1,2] 

机构地区：[1]河北大学电子信息工程学院,河北保定071002 [2]河北大学计算材料研究中心,河北保定071002 [3]北京航空航天大学物理科学与核能工程学院,北京100191

出　　处：《材料工程》2014年第1期70-74,共5页Journal of Materials Engineering

基　　金：河北大学自然科学研究计划基金项目(2007-110;2009-171)

摘　　要：利用射频磁控溅射技术在载玻片衬底上成功沉积了TiO2薄膜,采用离子注入技术对所制备的TiO2薄膜进行了Sn元素的注入掺杂。在可见光的照射下,以亚甲基蓝染料为降解污染物,考察了Sn注入前后TiO2薄膜的光催化活性。结果表明,Sn离子注入增强了TiO2薄膜在可见光下的光催化活性。利用基于密度泛函理论的第一性原理方法对Sn掺杂前后TiO2的能带结构进行了计算,发现Sn掺杂并未明显改变锐钛矿相TiO2的能带结构,但是却在TiO2的价带底附近引入了由Sn 5s轨道形成的掺杂能级。TiO2 thin films were successfully deposited onto microscope glass substrates by using RF sputtering technology.Then Sn ions were implanted into the TiO2 thin film with ion implantation method.The photocatalytic activities of the Sn-doped and un-doped TiO2 thin films under visible light were evaluated by the photodegradation of methylene blue dye solution.The results indicate that the photocatalytic activity of the Sn-doped anatase TiO2 thin film is enhanced under the visible light irradiation.The energy band structures of the Sn doped and un-doped TiO2 were calculated by the firstprinciple based on density functional theory （DFT）.The Sn doping takes slight effect on the band structure of TiO2,whereas doping energy level is formed by Sn 5s orbit near the bottom of the TiO2 valence band.

关 键 词：TIO2薄膜 光催化 能带结构 

分 类 号：TQ174[化学工程—陶瓷工业]