Yi-An ZHU (朱贻安)
Professor, School of Chemical Engineering, East China University of Science and Technology
Email: yanzhu@ecust.edu.cn
Biography
Yi-An Zhu received his Ph.D. in Chemical Engineering from East China University of Science and Technology (ECUST) in 2007. Since then, he has been a member of the faculty of ECUST, where he is now Professor of Chemical Engineering. In 2008 he visited the Department of Chemical Engineering at Norwegian University of Science and Technology and in 2013 he stayed in the SUNCAT group at Stanford University as a visiting scholar. His research interest is focused on kinetics and mechanisms for heterogeneous catalytic reactions over metal and metal compound surfaces. His current research projects include rational design of heterogeneous catalysts using descriptor-based microkinetic analysis combined with results from density functional theory calculations and machine learning techniques as well as the study of metal-support interactions using molecular simulations based on classical and reactive force fields.
Education
09, 1998 – 06, 2002
B.E. in Chemical Engineering, East China University of Science and Technology
09, 2002 – 06, 2007
Ph.D. in Chemical Engineering, East China University of Science and Technology
Work Experience
07, 2007 – 08, 2009
Docent, East China University of Science and Technology, Shanghai, China
08, 2008 – 02, 2009
Visiting Scholar, Norwegian University of Science and Technology, Trondheim, Norway
09, 2009 – 08, 2016
Associate Professor, East China University of Science and Technology, Shanghai, China
01, 2013 – 01, 2014
Visiting Scholar, Stanford University, Palo Alto, the United States of America
09, 2016 –
Professor, East China University of Science and Technology, Shanghai, China
Research Interests
Heterogeneous catalysis from first-principles calculations, machine learning, and microkinetic modeling
Studies on catalytic processes over metal and metal compound surfaces through density functional theory (DFT) calculations and machine-learning algorithms to design new catalysts with high catalytic activity and selectivity; using the DFT-derived kinetic parameters for the elementary steps to examine the reaction mechanisms for the overall catalytic reactions within the framework of the microkinetics of heterogeneous catalysis
Molecular mechanics calculations and molecular dynamics simulations based on force fields
Studies on the chemical and physical properties of new carbon materials through molecular mechanics calculations and molecular dynamics simulations based on force fields; investigating the topological structures of new carbon materials on the microscopic scale
Selected Publications
1. Ping Hu, Ming Lei, Zhi-Jun Sui, Xing-Gui Zhou, De Chen, Yi-An Zhu*. Identifying the active phase on atomically dispersed catalysts for propane dehydrogenation: Positively charged vs metallic transition metals. ACS Catalysis, 2024, 14(11): 8602-18.
2. Yu-Ao Huang, Gong Cheng, Ming Lei, Ming-Lei Yang, De Chen, Xing-Gui Zhou, Yi-An Zhu*. Decoding the kinetic complexity of Pt-catalyzed n-butane dehydrogenation by machine learning and microkinetic analysis. ACS Catalysis, 2024, 14(10): 7978-95.
3. Zi-Hua Niu, Jie Yang, Ze-Yi Zhou, Ming Lei, Zhi-Jun Sui, De Chen, Xing-Gui Zhou, Yi-An Zhu*. ABO3 perovskite catalyst screening for chemical looping methane partial oxidation from microkinetic analysis. Chemical Engineering Science, 2024, 292: 119992.
4. Yue-Xin Wang, Min-Hui Li, Ran Cao, Ming Lei, Zhi-Jun Sui, Xing-Gui Zhou, De Chen, Yi-An Zhu*. A machine learning-assisted study of propylene adsorption behaviors on transition metals and alloys: Beyond the Dewar-Chatt-Duncanson model. Chem Catalysis, 2024, 4: 100875.
5. Ling Xiao, Ping Hu, Zhi-Jun Sui, De Chen, Xing-Gui Zhou, Wei-Kang Yuan, Yi-An Zhu*. Rational design of intermetallic compound catalysts for propane dehydrogenation from a descriptor-based microkinetic analysis. Journal of Catalysis, 2021, 404: 32-45.
6. Qing-Yu Chang, Kai-Qi Wang, Zhi-Jun Sui, Xing-Gui Zhou, De Chen, Wei-Kang Yuan, Yi-An Zhu*. Rational design of single-atom-doped Ga2O3 catalysts for propane dehydrogenation: Breaking through volcano plot by Lewis acid-base interactions. ACS Catalysis, 2021, 11(9): 5135-47.
7. Ya-Lan Wang, Xiao-Li Yang, Ling Xiao, Yan-Ying Qi, Jia Yang, Yi-An Zhu*, Anders Holmen, We-De Xiao, De Chen*. Descriptor-based microkinetic modeling and catalyst screening for CO hydrogenation. ACS Catalysis, 2021, 11(23): 14545-60.
8. Ling Xiao, Yu-Ling Shan, Zhi-Jun Sui, De Chen, Xing-Gui Zhou, Wei-Kang Yuan, Yi-An Zhu*. Beyond the reverse Horiuti-Polanyi mechanism in propane dehydrogenation over Pt catalysts. ACS Catalysis, 2020, 10(24): 14887-902.
9. Qing-Yu Chang, Kai-Qi Wang, Ping Hu, Zhi-Jun Sui, Xing-Gui Zhou, De Chen, Wei-Kang Yuan, Yi-An Zhu*. Dual-function catalysis in propane dehydrogenation over Pt1-Ga2O3 catalyst: Insights from a microkinetic analysis. AIChE Journal, 2020, 66(7): e16232.
10. Hui Chang, Erlend Bjorgum, Oana Mihai, Jie Yang, Hilde Lea Lein, Tor Grande, Steinar Raaen, Yi-An Zhu*, Anders Holmen, De Chen*. Effects of oxygen mobility in La-Fe-based perovskites on the catalytic activity and selectivity of methane oxidation. ACS Catalysis, 2020, 10(6): 3707-19.
Contacts
For inquiries related to research collaborations, student supervision, or other academic interests, please reach out using the contact details provided above.