个人简介
中科合成油团队获硕士学位。2015年博士毕业于德国莱布尼茨催化所,师从焦海军教授和德国科学院院士Matthias Beller教授。2015-2017年在法国里昂高等师范学校和开展博士后研究,师从法国科学院院士、美国UCLA大学Philippe Sautet教授。2017-2019年在美国斯坦福大学开展博士后研究,师从美国工程院外籍院士、丹麦皇家科学院和工程院双院院士Jens K. Nørskov教授和丹麦科技大学Thomas Bligaard教授。2019-2020年在美国斯坦福大学SLAC国家实验室SUNCAT中心开展博士后研究,合作导师为Frank Abild-Pedersen研究员和Thomas F. Jaramillo教授。2020年10月加入西湖大学理学院,西湖大学人工光合作用与太阳能燃料中心,组建理论催化与材料智能设计实验室,任特聘研究员(独立PI / 博士生导师)。
研究领域
王涛博士长期致力于基于超级计算机的多尺度量子力学模拟,并结合高通量计算、人工智能和机器学习方法,进行理性、智能和高效的催化剂和新颖材料的设计并提供催化反应机理的微观理解,最终用于解决能源领域的关键催化科学问题如费托合成、生物质转化、水分解制氢、二氧化碳热/电催化转化、氮气还原合成氨等。
近期论文
查看导师新发文章
(温馨提示:请注意重名现象,建议点开原文通过作者单位确认)
Gaomou Xu†, Cheng Cai†, Tao Wang*. Toward Sabatier Optimal for Ammonia Synthesis with Paramagnetic Phase of Ferromagnetic Transition Metal Catalysts. Journal of the American Chemical Society, 2022, 144, 23089-23095.
Xinyan Liu, Cheng Cai, Wanghui Zhao, Hong-Jie Peng*, Tao Wang*. Machine Learning-Assisted Screening of Stepped Alloy Surfaces for C1 Catalysis. ACS Catalysis, 2022, 12, 4252–4260.
Gaomou Xu†, Cheng Cai†, Wanghui Zhao†, Yonghua Liu, Tao Wang*. Rational design of catalysts with earth‐abundant elements. WIREs Comput. Mol. Sci., 2022, DOI: 10.1002/wcms.1654.
Zhe Chen†, Chunli Liu†, Licheng Sun, Tao Wang*. Progress of Experimental and Computational Catalyst Design for Electrochemical Nitrogen Fixation. ACS Catalysis, 2022, 12, 8936-8975.
Gang Wang†, Zhe Chen†, Tao Wang*, Dingsheng Wang*, Junjie Mao*. P and Cu Dual Sites on Graphitic Carbon Nitride for Photocatalytic CO2 Reduction to Hydrocarbon Fuels with High C2H6 Evolution. Angewandte Chemie International Edition, 2022, 61, e202210789.
Zhe Chen, Cheng Cai, Tao Wang*. Identification of Copper as an Ideal Catalyst for Electrochemical Alkyne Semi-hydrogenation. The Journal of Physical Chemistry C, 2022, 126, 3037-3042.
Tao Wang*, Frank Abild-Pedersen*. Achieving industrial ammonia synthesis rates at near-ambient conditions through modified scaling relations on a confined dual site. Proc. Natl. Acad. Sci. 2021, 118, e2106527118.
Tao Wang*, Jin Sha, Maarten Sabbe, Philippe Sautet*, Marc Pera-Titus*, Carine Michel*. Identification of active catalysts for the acceptorless dehydrogenation of alcohols to carbonyls. Nature Communications, 2021, 12, 5100.
Tao Wang, Guomin Li, Xinjiang Cui*, Frank Abild-Pedersen*. Identification of earth-abundant materials for selective dehydrogenation of light alkanes to olefins. Proc. Natl. Acad. Sci. 2021, 118, e2024666118.
Tao Wang, Xinjiang Cui*, Kirsten Winther, Frank Abild-Pedersen*, Thomas Bligaard*, Jens K Nørskov. Theory-Aided Discovery of Metallic Catalysts for Selective Propane Dehydrogenation to Propylene. ACS Catalysis, 2021, 11, 6290.
Tao Wang, Javier Ibañez, Kang Wang, Lin Fang, Maarten Sabbe, Carine Michel, Sébastien Paul, Marc Pera-Titus*, Philippe Sautet*. Rational design of selective metal catalysts for alcohol amination with ammonia. Nature Catalysis, 2019, 2, 773.
Tao Wang, Xinxin Tian, Yongwang Li, Jianguo Wang, Matthias Beller, Haijun Jiao*. Coverage-dependent CO adsorption and dissociation mechanisms on iron surfaces from DFT computations. ACS Catalysis, 2014, 4, 1991.