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个人信息Personal Information
特聘副研究员
硕士生导师
性别：男
出生日期：1990-02-24
毕业院校：南京理工大学
学位：博士
所在单位：化工学院
电子邮箱：taowu@dlut.edu.cn
个人简介Personal Profile
大连理工大学化工学院特聘副研究员，硕士生导师。曾先后在美国南卡罗来纳大学及美国加州大学河滨分校从事博士后研究工作。研究方向为能源电化学，致力于发掘新能源高性能电极材料，面向电催化和离子电池体系。开展关键材料设计、反应机理方面的基础研究，理论与实验深度融合，为下一代高效电催化剂及离子电池电极材料设计提供指导。目前的研究兴趣集中在电催化，电池材料的理论与实验设计以及机器学习辅助材料设计，已发表论文40余篇，其中以第一作者（含共一)和通讯作者在权威期刊(如Nat. Commun.、 Adv. Mater.、Adv. Energy Mater.、Adv. Funct. Mater.、ACS Catal.、ACS Nano、ACS Energy Lett.、Chem. Mater.、Energy Storage Mater.、Chem. Eng. J.等)发表论文30余篇，总引用3700余次，h-index 31。主持横向项目一项，参与三项纵向项目。
课题组网址
http://anhuilu.dlut.edu.cn/index.htm研究方向
电催化含氮高值化学品的制备
偶联电催化反应理论机制探究
人工智能辅助高效电催化剂及电池材料开发
已发表的部分论文：
1. Minghao Guan, Haonan Xu, Jin Liu, Tao Wu,* An-Hui Lu.* Strategic regulation of nitrogen-containing intermediates for enhanced nitrate reduction over Co3O4/SiC catalyst having multiple active centers. J. Energy Chem., 2024, 96, 291-299.
2. Benhan Fan, Miao Jiang, Guoqing Wang, Yang Zhao, Bingbao Mei, Jingfeng Han, Lei Ma, Cunyao Li, Guangjin Hou, Tao Wu,* Li Yan,* Yunjie Ding.* Elucidation of hemilabile-coordination-induced tunable regioselectivity in single-site Rh-catalyzed heterogeneous hydroformylation. Nat. Commnun., 2024, 15, 6967.
3. Jing-Song Wang, Ming-Yuan Shen, Wen-Cui Li, Tao Wu.* Unraveling the Role of Li and Mg Substitution in Layered Sodium Oxide Cathodes for Sodium-Ion Batteries. ACS Appl. Mater. Interface, 2024, 16, 43548.
4. Minghao Guan, Tao Wu,* An‐Hui Lu.* Tandem synthesis of valuable chemicals via electrocatalysis, ChemCatChem, 2023, 15, e202301311.
5. Kaiyue Zhu, Tao Wu,* Wessel van den Bergh, Morgan Stefik, Kevin Huang.* Reversible Molecular and Ionic Storage Mechanisms in High-Performance Zn0.1V2O5·nH2O Xerogel Cathode for Aqueous Zn-Ion Batteries. ACS Nano, 2021, 15, 10678-10688.
6. Kaiyue Zhu, Tao Wu,* Kevin Huang.* Understanding the Dissolution and Phase Transformation Mechanisms in Aqueous Zn/α-V2O5 Batteries. Chem. Mater., 2021, 33, 11, 4089–4098.
7. Kaiyue Zhu, Tao Wu,* Kevin Huang.* A High-Voltage Activated High-Performance Cathode for Aqueous Zn-Ion Batteries, Energy Storage Mater., 2021, 38, 473-481.
8. Tao Wu, De-en Jiang. Computational studies of MXenes, MRS Bulletin, 2023, 48, 253-260.
9. Tao Wu, Paul RC Kent, Yury Gogotsi, De-en Jiang. How water attacks MXene, Chem. Mater. 2022, 34, 4975-4982.
10. Tao Wu, Kaiyue Zhu, Kevin Huang. Understanding the Role of Graphene in Cathodes for Rechargeable Aqueous Zn-ion Batteries, J. Electrochem. Soc. 2020, 167, 070515.
11. Tao Wu, Kaiyue Zhu, Changrong Qin, Kevin Huang. Unraveling the role of structural water in bilayer V2O5 during Zn2+-intercalation: insights from DFT calculations, J. Mater. Chem. A. 2019, 7, 5612-5620.
12. Tao Wu, Michael L. Stone, Melinda J. Shearer, Matthew J. Stolt, Ilia A. Guzei, Robert J. Hamers, Ruifeng Lu, Kaiming Deng, Song Jin, J. R. Schmidt, “Crystallographic Facet Dependence of the Hydrogen Evolution Reaction on CoPS: Theory and Experiments” ACS Catal., 2018, 8, 1143-1152.
13. Tao Wu, Kaiming Deng, Weiqiao Deng and Ruifeng Lu, “Diverse Carrier Mobility of Monolayer BNCX: A Combined Density Functional Theory and Boltzmann Transport Theory Study” J. Phys. Condens. Mat. 2017, 29, 455305.
14. Tao Wu, Tingting Wang, Lei Sun, Kaiming Deng, Weiqiao Deng, Ruifeng Lu, “A DFT Exploration of Efficient Catalysts Based on Metal‐salen Monomers for the Cycloaddition Reaction of CO2 to Propylene Oxide” Chemistryselect, 2017, 2, 4533-4537.
15. Tao Wu, Lei Sun, Qi Shi, Kaiming Deng, Weiqiao Deng and Ruifeng Lu, “Carrier Mobility in Double-helix DNA and RNA: A quantum Chemistry Study with Marcus-Hush Theory” J. Chem. Phys. 2016, 145, 325101.
16. Jiabin Wu,‡ Jianwei Su,‡ Tao Wu,‡ Liang Huang, Qun Li, Yongxin Luo, Hongrun Jin, Jun Zhou, Tianyou Zhai, Dingsheng Wang, Yury Gogotsi, Yadong Li. Scalable Synthesis of 2D Mo2C and Thickness‐Dependent Hydrogen Evolution on Its Basal Plane and Edges Adv. Mater. 2023, 35, 2209954.
17. Kaiyue Zhu,‡ Tao Wu,‡ K. Huang. NaCa0.6V6O16 ·3H2O as an ultra-stable cathode for Zn-ion batteries: The roles of pre-inserted dual-cations and structural water, Adv. Energy Mater. 2019, accepted. (‡ These authors contributed equally)
18. Kaiyue Zhu,‡ Tao Wu,‡ K. Huang. Ca0.67V8O20 × 3.5H2O: A r-type bilayer V2O5 structured cathode for high performance rechargeable aqueous Zn-ion batteries, ACS nano 2019, DOI:10.1021/acsnano.9b08039.
19. Lei Jiang,‡ Tao Wu,‡ Lei Sun, Yajuan Li, Ai-long Li, Ruifeng Lu, Kun Zou, Weiqiao Deng, “First-Principles Screening of Lead-Free Methylammonium Metal Iodine Perovskites for Photovoltaic Application” J. Phys. Chem. C, 2017, 121, 24359-24364.
20. Shelby Boyd, Karthik Ganeshan, Wan-Yu Tsai, Tao Wu, Saeed Saeed, De-en Jiang, Nina Balke, Adri CT van Duin, Veronica Augustyn, Effects of interlayer confinement and hydration on capacitive charge storage in birnessite. Nat. Mater., 2021, 20, 1689.