基于TiO2复合结构的光催化基元过程模拟和析氢活性调控研究

21903025
2019
B0301.化学理论与方法
王栋
青年科学基金项目
副教授
华东理工大学
26万元
光电催化理论模拟;析氢反应;TiO2复合结构;光催化基元过程;催化剂理性设计
2020-01-01到2022-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
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序号 标题 类型 作者
1 Three-Dimensional Kinetic Trends in Zeolites Catalyzed Benzene Ethylation Reaction: A Descriptor-Based DFT Study Coupled with Microkinetic Modeling 期刊论文 Wang Dong;Wang Chuanming;Yang Weimin
2 Subtle structure matters: boosting surface-directed photoelectron transfer via the introduction of specific monovalent oxygen vacancies in TiO2 期刊论文 Li Fei;Wang Dong;Gong Xue-Qing
3 A comparative study on the twinning boundaries of five-fold twinned copper and gold nanorods 期刊论文 Nie Ting;Wang Dong;Gong Xue-Qing
4 Structures and reactivities of the CeO2/Pt(111) reverse catalyst: A DFT+U study 期刊论文 Zhu-Yuan Zheng;Dong Wang;Yi Zhang;Fan Yang;Xue-Qing Gong
5 Clarifying the impacts of surface hydroxyls on CO oxidation on CeO2(100) surfaces: a DFT plus U study 期刊论文 Zhou Hui;Wang Dong;Gong Xue-Qing
6 Core‐Shell Nanostructured Ru@Ir–O Electrocatalysts for Superb Oxygen Evolution in Acid 期刊论文 Jiahao Zhang;Xianbiao Fu;Fanjie Xia;Wenqing Zhang;Dongsheng Ma;Yu Zhou;Hong Peng;Jinsong Wu;Xueqing Gong;Dong Wang;Qin Yue
7 Theoretical Insights into Nitrate Reduction to Ammonia over Pt/TiO2: Reaction Mechanism, Activity Regulation, and Catalyst Design 期刊论文 Zheng-Li Xie;Dong Wang;Xue-Qing Gong
8 Function-oriented design of robust metal cocatalyst for photocatalytic hydrogen evolution on metal/titania composites 期刊论文 Wang Dong;Gong Xue-Qing
9 Subtle Structure Matters: The Vicinity of Surface Ti5c Cations Alters the Photooxidation Behaviors of Anatase and Rutile TiO2 under Aqueous Environments 期刊论文 Fei Li;Jian-Fu Chen;Xue-Qing Gong;Peijun Hu;Dong Wang
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