载体空心微珠Ag掺杂TiO_(2)光催化剂性能及第一性原理分析  

Performance of Carrier Hollow Microsphere Silver Doped Titanium Dioxide Photocatalyst and First⁃Principles Analysis

作　　者：郝国栋 孙浩轩 李聪 HAO Guodong;SUN Haoxuan;LI Cong(School of Chemistry and Chemical Engineering,Mudanjiang Normal University,Mudanjiang Heilongjiang 157011,China;School of Physics and Electronic Engineering,Mudanjiang Normal University,Mudanjiang Heilongjiang 157011,China)

机构地区：[1]牡丹江师范学院化学化工学院,黑龙江牡丹江157011 [2]牡丹江师范学院物理与电子工程学院,黑龙江牡丹江157011

出　　处：《辽宁石油化工大学学报》2025年第2期38-45,共8页Journal of Liaoning Petrochemical University

基　　金：国家自然科学基金项目(51672120);双一流学科协同创新成果建设项目(LJGXCG2022-132);黑龙江省教育厅科研平台专项项目(1453PT006);黑龙江省自然科学基金项目(LH2023E101);牡丹江师范学院教学改革项目(SJGYB2024687)。

摘　　要：采用溶胶凝胶法制备了n(Ag^(+))/n(Ti^(4+))分别为0.001、0.003、0.005、0.010、0.030和0.050的Ag掺杂的粉体及陶瓷空心微珠负载TiO_(2)光催化剂;通过SEM、XRD和Uv-Vis DRS等手段对所制备的催化剂进行了表征分析,并以氙灯为光源对其光催化性能进行了测试;结合第一性原理,对掺杂机理进行了分析。结果表明,0.005Ag-TiO_(2)粉体在90 min光催化测试中对10 mg/L亚甲基蓝的降解率为76%,最佳n(Ag^(+))/n(Ti^(4+))为0.005,陶瓷空心微珠负载型催化剂90 min光催化测试的降解率为97%;Ag掺杂能够在TiO_(2)体系中引入杂质能级,使价带电子可以通过分级跃迁的方式到达导带,计算结果与实验结果的变化趋势相一致。Silver-doped powders with n(Ag^(+))/n(Ti^(4+))of 0.001、0.003、0.005、0.010、0.030 and 0.050 and ceramic hollow microspheres loaded with titanium dioxide photocatalyst were prepared by sol-gel method.The prepared catalysts were characterized by SEM,XRD and Uv-Vis DRS,and their photocatalytic properties were tested under xenon lamp light source.The doping mechanism was analyzed using first-principles calculations.The results show that the degradation rate of 0.005Ag-TiO_(2) powder after photocatalytic degradation of 10 mg/L methylene blue for 90 min is 76%.It is concluded that n(Ag^(+))/n(Ti^(4+))=0.005 is the best doping amount,and the degradation rate of ceramic hollow microsphere supported catalyst for 90 min is 97%.Ag doping can introduce impurity energy levels in the TiO_(2) system,so that the valence band electrons can reach the conduction band by hierarchical transition.The calculation results are consistent with the experimental results.

关 键 词：TiO_(2) 空心微珠 光催化 AG掺杂 可见光 第一性原理 

分 类 号：O643.36[理学—物理化学]