载体空心微珠Ag掺杂TiO2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

郝国栋 孙浩轩 李聪

Guodong HAO Haoxuan SUN Cong LI

牡丹江师范学院 化学化工学院，黑龙江 牡丹江 157011 牡丹江师范学院 物理与电子工程学院，黑龙江 牡丹江 157011

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

采用溶胶凝胶法制备了n（Ag+）/n（Ti4+）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TiO2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?TiO2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（Ti4+）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TiO2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（Ti4+） 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?TiO2 powder after photocatalytic degradation of 10 mg/L methylene blue for 90 min is 76%. It is concluded that n（Ag+）/n（Ti4+）=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 TiO2 system, so that the valence band electrons can reach the conduction band by hierarchical transition. The calculation results are consistent with the experimental results.

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)

10.12422/j.issn.1672-6952.2025.02.005