Dr. Yi-An Zhu's Home Page

l Degrees

• B.E. in Chemical Engineering, East China University of Science and Technology, 2002

• Ph.D. in Chemical Engineering, East China University of Science and Technology, 2007

l Positions

• Graduate student in Chemical Engineering (Supervisor: Prof. Wei-Kang Yuan), 9/2002-6/2007

  East China University of Science and Technology, China;

• Docent, 7/2007-8/2009

  East China University of Science and Technology, China;

• Visiting Scholar (Prof. De Chen’s group), 8/2008-2/2009

  Norwegian University of Science and Technology (NTNU), Norway;

• Associate Professor, 9/2009-8/2016

  East China University of Science and Technology, China;

• Visiting Scholar (Prof. Jens K. Norskov's group), 1/2013-1/2014

  Stanford University (SLAC National Accelerator Laboratory), the United States;

• Professor, 9/2016-

  East China University of Science and Technology, China

l Research Interests

• Heterogeneous catalysis from first-principles calculations and microkinetic modeling

  Studies on catalytic processes over metal and metal oxide surfaces through density functional theory (DFT) calculations 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 based on force fields

  Studies on the chemical and physical properties of new carbon materials through molecular mechanics calculations based on force fields; investigating the topological structures of new carbon materials on the microscopic scale using XRD simulations

l Selected Publications (Full publication list)

1. 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.
2. Ya-Xin Yu, Jie Yang, Ka-Ke Zhu, Zhi-Jun Sui, De Chen, Yi-An Zhu^*, Xing-Gui Zhou^*. High-throughput screening of alloy catalysts for dry methane reforming. ACS Catalysis, 2021, 11(14): 8881-94.
3. 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.
4. Ya-Lan Wang, Ping Hu, Jia Yang, Yi-An Zhu^*, De Chen^*. C-H bond activation in light alkanes: A theoretical perspective. Chemical Society Reviews, 2021, 50(7): 4299-358.
5. 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.
6. Fang Ma, Qing-Yu Chang, Qiang Yin, Zhi-Jun Sui, Xing-Gui Zhou, De Chen, Yi-An Zhu^*. Rational screening of single-atom-doped ZnO catalysts for propane dehydrogenation from microkinetic analysis. Catalysis Science & Technology, 2020, 10(15): 4938-51.
7. 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.
8. Hui Chang, Erlend Bjørgum, 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.
9. Yang Li, Wei Cheng, Zhi-Jun Sui, Xing-Gui Zhou, De Chen, Wei-Kang Yuan, Yi-An Zhu^*. Origin of chemisorption energy scaling relations over perovskite surfaces. The Journal of Physical Chemistry C, 2019, 123(46): 28275-83.
10. Yang Li, Jie Yang, Yi-An Zhu^*, Zhi-Jun Sui, Xing-Gui Zhou, De Chen, Wei-Kang Yuan. Surface phase diagrams of La-based perovskites towards the O-rich limit from first principles. Physical Chemistry Chemical Physics, 2019, 21(24): 12859-71.

朱贻安    教授

 
     电话：021-64253072
     传真：021-64253528
     电子邮件：yanzhu [at] ecust.edu.cn
     个人网页：unilab.ecust.edu.cn/cre/people/yanzhu

l 教育背景

     2002/09 – 2007/06，华东理工大学，化工学院，博士

     1998/09 – 2002/06，华东理工大学，化工学院，学士

l 工作经历

     2017/07 – 至今， 华东理工大学，化工学院，教授、博士生导师

     2016/09 – 2017/06， 华东理工大学，化工学院，教授 、硕士生导师

     2013/01 – 2014/01，美国斯坦福大学，化工系，SLAC国家实验室，访问学者

     2010/04 – 2016/08， 华东理工大学，化工学院，副研究员、硕士生导师

     2009/09 – 2010/03， 华东理工大学，化工学院，副研究员

     2008/08－2009/02，挪威科技大学，化工系，访问学者

     2007/07－2009/08，华东理工大学，化工学院，讲师

 l 研究方向

     1. 多相催化与化学反应工程。主要研究包含丙烷脱氢、甲烷蒸汽（干气）重整、甲烷部分氧化、乙烯选择性加氢、苯部分加氢和乙苯脱氢等化学工业中涉及的或者具有工业化前景的反应过程动力学；
     2. 基于表面化学的微观动力学研究。通过密度泛函理论计算，在统计热力学和过渡态理论框架下获取反应机理，并依据火山形曲线进行高通量催化剂筛选；
     3. 基于新型纳米炭材料的催化剂（载体）研究。主要包含纳米碳纤维、碳纳米管等新型材料的结构化学研究，并以可调变结构的炭材料为催化剂载体平台，研究载体结构调变活性金属催化性能的普遍规律。

l Research Opportunities

• 博士生 1人/年

• 硕士生 2人/年

• 本科生 2-6人/年（大学生创新性实验计划+USRP)

l 论文专著