姓名：朱贻安
职称：教授、博士研究生导师
电话：021-64253072
传真：021-64253528
电子邮件：yanzhu@ecust.edu.cn
个人网页：http://unilab.ecust.edu.cn/cre/people/yanzhu
/2016/0419/c1270a10069/page.htm
教育背景：
2002/09 – 2007/06，beat365亚洲体育在线，beat365亚洲体育在线，博士
1998/09 – 2002/06，beat365亚洲体育在线，beat365亚洲体育在线，学士
工作经历：
2017/07 – 至今，beat365亚洲体育在线，beat365亚洲体育在线，教授、博士生导师
2016/09 – 2017/06，beat365亚洲体育在线，beat365亚洲体育在线，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，beat365亚洲体育在线，beat365亚洲体育在线，副研究员、硕士生导师
2009/09 – 2010/03，beat365亚洲体育在线，beat365亚洲体育在线，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，beat365亚洲体育在线，beat365亚洲体育在线，讲师
研究方向：
1. 多相催化与化学反应工程。主要研究包含甲烷蒸汽（干气）重整及部分氧化，丙烷、乙苯脱氢，乙烯、苯以及二元酯选择性加氢等化学工业中涉及的或者具有工业化应用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和微观动力学分析描述复杂反应的稳态及非稳态动力学、解释反应机理，并依据火山形曲线、机器学习算法进行高通量催化剂筛选；
3. 基于新型纳米碳材料的催化剂（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，并以结构可控的碳材料作为催化剂载体平台，研究载体结构调变活性金属催化性质的普遍规律。
近3年代表性著作（2019-2021年）
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. Jie Yang, Erlend Bjorgum, Hui Chang, Ka-Ke Zhu, Zhi-Jun Sui, Xing-Gui Zhou, Anders Holmen, Yi-An Zhu*, De Chen*. On the ensemble requirement of fully selective chemical looping methane partial oxidation over La-Fe-based perovskites. Applied Catalysis B: Environmental, 2021, doi: 10.1016/j.apcatb.2021.120788.
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, 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.
5. Muhammad Zeeshan, Qing-Yu Chang, Jun Zhang, Ping Hu, Zhi-Jun Sui, Xing-Gui Zhou, De Chen, Yi-An Zhu*. Effects of oxygen vacancy and Pt doping on the catalytic performance of CeO2 in propane dehydrogenation: A first-principles study. Chinese Journal of Chemistry, 2021, 39(9): 2391-402.
6. 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.
7. 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.
8. Jun Zhang, Rui-Jia Zhou, Qing-Yu Chang, Zhi-Jun Sui, Xing-Gui Zhou, De Chen, Yi-An Zhu*. Tailoring catalytic properties of V2O3 to propane dehydrogenation through single-atom doping: A DFT study. Catalysis Today, 2021, 368: 46-57.
9. 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.
10. Wei-Qi Yan, Jun-Bo Zhang, Yi-An Zhu*, Jing-Hong Zhou*, Zhi-Jun Sui, Wei Li, De Chen, Xing-Gui Zhou. Identification of synergistic actions between Cu0 and Cu+ sites in hydrogenation of dimethyl oxalate from microkinetic analysis. Industrial & Engineering Chemistry Research, 2020, 59(52): 22451-9.
11. 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.
12. 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.
13. Qian Li, Yun-Xiang Deng, Yi-An Zhu*, Yang Li, Zhi-Jun Sui, De Chen, Wei-Kang Yuan. Structural stability of Lanthanum-based oxygen-deficient perovskites in redox catalysis: A density functional theory study. Catalysis Today, 2020, 347: 142-9.
14. Ya-Lan Wang, Hong-Min Wang, Anh Hoang Dam, Ling Xiao, Yan-Ying Qi, Jun-Tian Niu, Jia Yang, Yi-An Zhu*, Anders Holmen, De Chen*. Understanding effects of Ni particle size on steam methane reforming activity by combined experimental and theoretical analysis. Catalysis Today, 2020, 355: 139-47
15. Shuai-Hui Zhang, Chuan-Ming Wang*, Xing-Gui Zhou, Yi-An Zhu*. Elucidating the methanol conversion in H-SAPO-5 from first principles: Nature of hydrocarbon pool and scission style. Molecular Catalysis, 2020, 490: 110948.
16. Ya-Lan Wang, Xin-Xin Wang, Yi-An Zhu*, Ka-Ke Zhu*, De Chen, Xing-Gui Zhou. Shape selectivity in acidic zeolite catalyzed 2-pentene skeletal isomerization from first principles. Catalysis Today, 2020, 347: 115-23.
17. 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.
18. Ya-Lan Wang, Ling Xiao, Yan-Ying Qi, Jia Yang, Yi-An Zhu*, De Chen*. Insight into size- and metal-dependent activity and the mechanism for steam methane re-forming in nanocatalysis. The Journal of Physical Chemistry C, 2020, 124(4): 2501-12.
19. Ling Xiao, Fang Ma, Yi-An Zhu*, Zhi-Jun Sui, Jing-Hong Zhou, Xing-Gui Zhou, De Chen, Wei-Kang Yuan. Improved selectivity and coke resistance of core-shell alloy catalysts for propane dehydrogenation from first principles and microkinetic analysis. Chemical Engineering Journal, 2019, 377: 120049
20. 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.
21. Wei-Qi Yan, Jun-Bo Zhang, Ling Xiao, Yi-An Zhu*, Yue-Qiang Cao, Jing-Hong Zhou*, Zhi-Jun Sui, Wei Li, Xing-Gui Zhou. Toward rational catalyst design for partial hydrogenation of dimethyl oxalate to methyl glycolate: A descriptor-based microkinetic analysis. Catalysis Science & Technology, 2019, 9(20): 5763-73.
22. Qiang Yin, Fang Ma, Yan Zhou, Zhi-Jun Sui, Xing-Gui Zhou, De Chen, Yi-An Zhu*. Size-dependent segregation preference in single-atom alloys of late transition metals: Effects of magnetism, electron correlation, and geometrical strain. The Journal of Physical Chemistry C, 2019, 123(30): 18417-24.
23. Qian Li, Qiang Yin, Ya-Shan Zheng, Zhi-Jun Sui, Xing-Gui Zhou, De Chen, Yi-An Zhu*. Insights into hydrogen transport behavior on perovskite surfaces: Transition from the Grotthuss mechanism to the vehicle mechanism. Langmuir, 2019, 35(30): 9962-9.
24. 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.
25. Ya-Shan Zheng, Min Zhang, Qian Li, Yi-An Zhu*, Zhi-Jun Sui, De Chen, Xing-Gui Zhou. Electronic origin of oxygen transport behavior in La-based perovskites: A density functional theory study. The Journal of Physical Chemistry C, 2019, 123(1): 275-90.
26. Ya-Lan Wang, Ling Xiao, Yan-Ying Qi, Mehdi Mahmoodinia, Xiang Feng, Jia Yang, Yi-An Zhu*, De Chen*. Towards rational catalyst design: Boosting the rapid prediction of transition-metal activity by improved scaling relations. Physical Chemistry Chemical Physics, 2019, 21(35), 19269-80.
27. Yang Li, Ya-Shan Zheng, Yi-An Zhu*, Zhi-Jun Sui, Xing-Gui Zhou, De Chen, Wei-Kang Yuan. BEEF-vdW+U method applied to perovskites: Thermodynamic, structural, electronic, and magnetic properties. Journal of Physics: Condensed Matter, 2019, 31(14): 145901.
28. Qing-Yu Chang, Qiang Yin, Fang Ma, Yi-An Zhu*, Zhi-Jun Sui, Xing-Gui Zhou, De Chen, Wei-Kang Yuan. Tuning adsorption and catalytic properties of α-Cr2O3 and ZnO in propane dehydrogenation by creating oxygen vacancy and doping single Pt atom: A comparative first-principles study. Industrial & Engineering Chemistry Research, 2019, 58(24): 10199-209.
代表性项目（主持）
1.国家自然科学基金（面上），“金属-氧化物表界面催化草酸二甲酯选择性加氢反应的催化剂理性设计”；
2.国家自然科学基金（重大研究计划培育项目），“金属/氧化物协同催化丙烷脱氢反应的机理研究及理性催化剂筛选”；
3.国家自然科学基金（面上），“甲烷部分氧化反应中钙钛矿氧化物催化剂的理性设计”；
4.国家自然科学基金（青年），“丙烷脱氢-氧化耦合工艺中Pt基核壳双金属催化剂作用机制的第一性原理研究”；
5.教育部博士点基金（新教师），“纳米碳纤维合成反应中合金催化剂设计的第一性原理研究”；
6.上海市教委“晨光学者”人才计划项目，“Ni金属与Ni/Ag合金催化合成纳米碳纤维的机理研究”；
7.上海市自然科学基金，“低碳烷烃脱氢反应动力学及催化剂理性设计”；
8.上海市自然科学基金，“Ni/Fe合金催化剂的组成与鱼骨式纳米碳纤维形貌关系的第一性原理研究”。