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Tao WANG, Ph.D.
Laboratory of Advanced Materials and Catalysis
Center of Artificial Photosynthesis for Solar Fuels (CAP for Solar Fuels @Westlake)
Tao WANG, Ph.D.
Laboratory of Advanced Materials and Catalysis
Center of Artificial Photosynthesis for Solar Fuels (CAP for Solar Fuels @Westlake)
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Biography
Dr. Tao Wang was born in 1986, Shandong, China. He received his PhD in 2015 under the supervisions of Prof. Haijun Jiao and Prof. Matthias Beller at Leibniz-Institute for Catalysis in Germany. Then, he worked with Prof. Philippe Sautet in France as a post-doc in French academy of science during 2015-2017. After that, he worked as a postdoc with Prof. Jens K Nørskov and Prof. Thomas Bligaard from 2017 to 2019 in SUNCAT center at Stanford university. From 2019, he worked as a post-doctoral researcher at SUNCAT center in SLAC national accelerator laboratory with Prof. Frank Abild-Pedersen and Prof. Thomas F. Jaramillo. He will start his independent career as an assistant professor at Westlake University in 2020.
Research
Dr. Wang’s research mainly focused on the applications of multi-scale quantum mechanics simulations in atomic understandings of reaction mechanisms and rational design of advanced materials as catalysts for industrial processes in energy society. With the help of supercomputers, high-throughput computations, artificial intelligence and machine learning methods, he had made great achievements in rational and efficient catalysts design for Fischer-Tropsch synthesis, biomass conversion, hydrogen production from water splitting, thermal/electro catalytic CO2conversion, and N2fixation to ammonia. He had more than 50 publications in worldwide prestigious academic journals, including 28 first-authored and corresponded papers such asNat. Catal., Sci. Adv., Nat. Commun., J. Am. Chem. Soc., Angew. Chem. Int. Ed., Energy Environ. Sci., Adv. Mater., ACS Catal., J. Phys. Chem. C,etc.
Representative Publications
(1)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.
(2) Xinyan Liu, Cheng Cai, Wanghui Zhao, Hong-Jie Peng*,Tao Wang*. Machine Learning-Assisted Screening of Stepped Alloy Surfaces for C1Catalysis.ACS Catalysis, 2022,12, 4252–4260.
(3) 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.
(4) 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.
(5) Gang Wang†, Zhe Chen†,Tao Wang*, Dingsheng Wang*, Junjie Mao*. P and Cu Dual Sites on Graphitic Carbon Nitride for Photocatalytic CO2Reduction to Hydrocarbon Fuels with High C2H6Evolution.Angewandte Chemie International Edition, 2022,61, e202210789.
(6) 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.
(7)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.
(8)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.
(9)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.
(10)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.
(11)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.
(12)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.
Contact Information and Open Positions
We have openings for Postdoc, PhD students, and research assistants within the field of computational catalysis focusing on photo-electrocatalytic water splitting, CO2/ N2reduction, AI/machine learning aided material design,quantum mechanics method developments. Please contacttwang@westlake.edu.cn, if you are interested in joining us.
