朱贻安，教授、博士生导师
电话：021-64253072
传真：021-64253528
电子邮件：yanzhu@ecust.edu.cn
个人网页：/2016/0419/c1270a10069/page.htm
https://faculty.ecust.edu.cn/hgxy/zya/main.htm
教育背景：
2002/09–2007/06，威廉希尔，威廉希尔，博士
1998/09–2002/06，威廉希尔，威廉希尔，学士
工作经历：
2017/07– 至今，威廉希尔，威廉希尔，教授、博士生导师
2016/09–2017/06，威廉希尔，威廉希尔，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，威廉希尔，威廉希尔，副研究员、硕士生导师
2009/09–2010/03，威廉希尔，威廉希尔，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，威廉希尔，威廉希尔，讲师
所获荣誉：
1.2024年上海市自然科学奖二等奖，“基于微观动力学分析的轻烃转化催化剂构效关系与性能调控”（排名1）
2.2023年第二批国家级一流本科课程，“化学工程与工艺专业实验”（排名2）
3.2020年首批国家级一流本科课程，“化学反应工程”（排名3）
4.2018年教育部自然科学奖二等奖，“纳米碳纤维微结构及催化性能的动力学影响机制”（排名4）
5.2009年上海市优秀博士论文，“纳米碳纤维生长机理的第一性原理研究”
研究方向：
1.多相催化反应动力学。主要包含低碳烃的活化转化（如甲烷重整、丙烷脱氢）、DMO加氢、氨氧化反应、新型电解水等化学工业中涉及的或具有应用前景的催化反应过程稳态及非稳态动力学；
2.催化剂理性设计。通过密度泛函理论计算、微观动力学分析、动力学蒙特卡罗模拟、机器学习和人工智能算法描述复杂反应过程的微观图像、解释反应机理，辨识性能描述符并反向设计催化新材料；
3.新型纳米碳材料与复合氧化物催化剂。主要包含纳米碳纤维、碳纳米管、钙钛矿等新材料的结构化学研究，以结构可控的催化材料为平台，研究底质结构调变活性金属单原子、纳米团簇物化性质的普遍规律。
近年来代表性著作（2020-2025）
1.Xiang-Long Hu, Rui Zhang, Ming Lei, Xing-Gui Zhou, De Chen, Yi-An Zhu*. Universal descriptors of propane dehydrogenation activity at atomically dispersed metal-X sites (X = O, S, C, and N): Machine learning-powered inverse catalyst design. ACS Catalysis, 2025, 15(12): 10561-77.
2.Jing-Peng Zhang, Ning Zhou, Ming Lei, Xing-Gui Zhou, De Chen, Yi-An Zhu*. On the importance of thermodynamic consistency to DFT-based microkinetic analysis of complex heterogeneous reactions with multiple pathways. Chemical Engineering Science, 2025, 317: 122078.
3.Han-Jie Xiao, Hui-Han Zheng, Ming Lei, Jing-Hong Zhou, De Chen, Xing-Gui Zhou, Yi-An Zhu*. On the catalytic behaviors of Cu/SiO2 and Cu/γ-Al2O3 for dimethyl oxalate hydrogenation from microkinetic analysis including a plug flow reactor model. Journal of Catalysis, 2024, 440: 115822.
4.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.
5.Yu-Ao Huang, Gong Cheng, Ming Lei, Ming-Lei Yang, De Chen, Xing-Gui Zhou,Yi-An Zhu*.Decoding the kinetic complexity of Pt-catalyzedn-butane dehydrogenation by machine learning and microkinetic analysis.ACS Catalysis,2024, 14(10): 7978-95.
6.Zi-Hua Niu, Jie Yang,Ze-Yi Zhou, Ming Lei, Zhi-Jun Sui, De Chen, Xing-Gui Zhou,Yi-An Zhu*.ABO3perovskite catalyst screening for chemical looping methane partial oxidation from microkinetic analysis.Chemical Engineering Science,2024, 292: 119992.
7.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.
8.Ping Hu, Qing-Yu Chang, Wei Zhang, Ming-Lei Yang, Ming Lei, De Chen, Xing-Gui Zhou, Zhi-Jun Sui*, Yi-An Zhu*. Dual Pt atoms stabilized by an optimized coordination environment for propane dehydrogenation. Journal of Catalysis, 2024, 429: 115299.
9.Li-Jun Jing, Wei-Qi Yan, Han-Jie Xiao, Ming Lei, Yue-Qiang Cao, Zhi-Jun Sui, Jing-Hong Zhou, Xing-Gui Zhou, De Chen, Yi-An Zhu*. Interface-enhanced catalytic performance of TiO2-supported Cu and Au for dimethyl oxalate hydrogenation: A comparative microkinetic analysis. Chemical Engineering Science, 2023, 281: 119176.
10.Rui-Jia Zhou, Wei-Qi Yan, Yue-Qiang Cao, Jing-Hong Zhou*, Zhi-Jun Sui, Wei Li, De Chen, Xing-Gui Zhou, Yi-An Zhu*. Probing the structure sensitivity of dimethyl oxalate partial hydrogenation over Ag nanoparticles: A combined experimental and microkinetic study. Chemical Engineering Science, 2022, 259: 117830.
11.Rui Zhang, Qing-Yu Chang, Fang Ma, Muhammad Zeeshan, Ming-Lei Yang*, Zhi-Jun Sui, De Chen, Xing-Gui Zhou, Yi-An Zhu*. Enhanced catalytic performance of transition metal-doped Cr2O3 catalysts for propane dehydrogenation: A microkinetic modeling study. Chemical Engineering Journal, 2022, 446: 136913.
12.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, 2022, 301: 120788.
13.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.
14.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.
15.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.
16.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.
17.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.
18.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.
19.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.
20.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.
21.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.
代表性项目（主持）
1.国家自然科学基金（面上），“选择性氨氧化混合高温电解水蒸气固体氧化物阳极材料的理性设计”；
2.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”；
3.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”；
4.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”；
5.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”；
6.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”；
7.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”；
8.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”；
9.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”；
10.国际合作项目（Yara International & NTNU，联培项目），“Fast discovery ofnew functional materials for greening industry”。