Tao WANG, Ph.D.

Laboratory of Advanced Materials and Catalysis
Center of Artificial Photosynthesis for Solar Fuels (CAP for Solar Fuels @Westlake)

CONTACT

Email: twang@westlake.edu.cn

Website: https://cap.westlake.edu.cn

Tao WANG, Ph.D.

Laboratory of Advanced Materials and Catalysis
Center of Artificial Photosynthesis for Solar Fuels (CAP for Solar Fuels @Westlake)

CONTACT

Email: twang@westlake.edu.cn

Website: https://cap.westlake.edu.cn

Working at Westlake University is a special responsibility and mission, opportunities and challenges coexist. Let’s seed our dreams on this great platform, forge ahead, and achieve extraordinary breakthroughs in science.

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 CO2 conversion, and N2 fixation to ammonia. He had more than 50 publications in worldwide prestigious academic journals, including 28 first-authored and corresponded papers such as Nat. 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) 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.

(2) 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.

(3) 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.

(4) 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.

(5) Xinjiang Cui, Zhangjun Huang, Antoine P. van Muyden, Zhaofu Fei, Tao Wang*, Paul J. Dyson*. Acceptorless dehydrogenation and hydrogenation of N- and O-containing compounds on Pd3Au1(111) facets. Science Advances, 2020, 6, eabb3831.

(6) 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.

(7) Erhuan Zhang, Tao Wang, Ke Yu, Jia Liu, Wenxing Chen, Ang Li, Hongpan Rong*, Rui Lin, Shufang Ji, Xusheng Zheng, Yu Wang, Lirong Zheng, Chen Chen, Dingsheng Wang*, Jiatao Zhang*, Yadong Li*. Bismuth single atoms resulting from transformation of metal-organic frameworks and their use as electrocatalysts for CO2 reduction. J. Am. Chem. Soc. 2019, 141, 16569.

(8) Guangbo Chen, Tao Wang, Jian Zhang*, Pan Liu, Hanjun Sun, Xiaodong Zhuang, Mingwei Chen, Xinliang Feng*. Accelerated hydrogen evolution kinetics on NiFe-layered double hydroxide electrocatalysts by tailoring water dissociation active sites. Advanced Materials, 2018, 30, 1706279.

(9) Tao Wang, Zhen Yan, Carine Michel, Marc Pera-Titus, Philippe Sautet*. Trends and control in the nitridation of transition metal surfaces. ACS Catalysis, 2018, 8, 63.

(10) 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 / N2 reduction, AI/machine learning aided material design, quantum mechanics method developments. Please contact twang@westlake.edu.cn, if you are interested in joining us.