姓名：朱贻安
職稱：教授、博士研究生導師
電話：021-64253072
傳真：021-64253528
電子郵件：yanzhu@ecust.edu.cn
個人網頁：http://unilab.ecust.edu.cn/cre/people/yanzhu
/2016/0419/c1270a10069/page.htm
教育背景：
2002/09 – 2007/06，華東理工大學，去哪里投注nba比赛，博士
1998/09 – 2002/06，華東理工大學，去哪里投注nba比赛，學士
工作經曆：
2017/07 – 至今，華東理工大學，去哪里投注nba比赛，教授、博士生導師
2016/09 – 2017/06，華東理工大學，去哪里投注nba比赛，教授、碩士生導師
2013/01 – 2014/01，美國斯坦福大學，化工系，SLAC國家實驗室，訪問學者
2010/04 – 2016/08，華東理工大學，去哪里投注nba比赛，副研究員、碩士生導師
2009/09 – 2010/03，華東理工大學，去哪里投注nba比赛，副研究員
2008/08 – 2009/02，挪威科技大學，化工系，訪問學者
2007/07 – 2009/08，華東理工大學，去哪里投注nba比赛，講師
研究方向：
1. 多相催化與化學反應工程。主要研究包含甲烷蒸汽（幹氣）重整及部分氧化，丙烷、乙苯脫氫，乙烯、苯以及二元酯選擇性加氫等化學工業中涉及的或者具有工業化應用前景的反應過程動力學；
2. 基于表面化學的微觀動力學研究。通過密度泛函理論計算和微觀動力學分析描述複雜反應的穩态及非穩态動力學、解釋反應機理，并依據火山形曲線、機器學習算法進行高通量催化劑篩選；
3. 基于新型納米碳材料的催化劑（載體）研究。主要包含納米碳纖維、碳納米管等新型材料的結構化學研究，并以結構可控的碳材料作為催化劑載體平台，研究載體結構調變活性金屬催化性質的普遍規律。
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.
代表性項目（主持）
1.國家自然科學基金（面上），“金屬-氧化物表界面催化草酸二甲酯選擇性加氫反應的催化劑理性設計”；
2.國家自然科學基金（重大研究計劃培育項目），“金屬/氧化物協同催化丙烷脫氫反應的機理研究及理性催化劑篩選”；
3.國家自然科學基金（面上），“甲烷部分氧化反應中鈣钛礦氧化物催化劑的理性設計”；
4.國家自然科學基金（青年），“丙烷脫氫-氧化耦合工藝中Pt基核殼雙金屬催化劑作用機制的第一性原理研究”；
5.教育部博士點基金（新教師），“納米碳纖維合成反應中合金催化劑設計的第一性原理研究”；
6.上海市教委“晨光學者”人才計劃項目，“Ni金屬與Ni/Ag合金催化合成納米碳纖維的機理研究”；
7.上海市自然科學基金，“低碳烷烴脫氫反應動力學及催化劑理性設計”；
8.上海市自然科學基金，“Ni/Fe合金催化劑的組成與魚骨式納米碳纖維形貌關系的第一性原理研究”。