♦ 出生年月：1980年4月
出生地：山东省济南市
民族：汉
♦ 主要经历
2002年6月，beat365亚洲体育在线，获工学学士学位；
2007年6月，beat365亚洲体育在线，获工学博士学位（导师：袁渭康教授）；
2007年7月—2009年8月，beat365亚洲体育在线化学工程联合国家重点实验室，讲师；
2008年8月—2009年2月，挪威科技大学化工系，访问学者（Prof. De Chen研究组）；
2009年9月—，beat365亚洲体育在线化学工程联合国家重点实验室，副研究员；
2010年4月—，beat365亚洲体育在线化学工程联合国家重点实验室，硕士研究生导师
♦ 主要荣誉
上海市“晨光学者”（2007年）
上海市优秀博士论文（2009年）
♦ 主要研究方向
基于密度泛函理论的第一性原理计算，主要包含表面催化反应的动力学与机理研究，以及催化剂设计；
多相催化微观反应动力学计算；
基于力场的分子力学计算以及XRD模拟
♦ 联系方式
办公室：实验16楼607室
电话(O)：021 64253072
传真(O)：021 64253528
Yi-An Zhu PhD
♦ Personal Data
Born April 9, 1980 in Jinan, China
♦ 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
♦ 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, Norway;
Associate Professor, 9/2009-
East China University of Science and Technology, China
♦ Research Interests
First-principles calculations based on density functional theory (DFT);
Calculations on microkinetics of heterogeneous catalysis;
Molecular mechanics calculations based on force field and XRD simulation
♦ Contact
Office: Room 607, Experimental Building 16
Tel(O): 86 21 64253072
Fax(O): 86 21 64253528
♦ 代表性论文（Selected publications）：
1. Yi-An Zhu, Zhi-Jun Sui, Tie-Jun Zhao, Ying-Chun Dai, Zhen-Min Cheng, Wei-Kang Yuan*. Modeling of fishbone-type carbon nanofibers: A theoretical study. Carbon, 2005, 43(8): 1694-9.
2. Yi-An Zhu*, Xing-Gui Zhou*, De Chen, Wei-Kang Yuan. First-principles study of C adsorption and diffusion on the surfaces and in the subsurfaces of nonreconstructed and reconstructed Ni(100). Journal of Physical Chemistry C, 2007, 111(8): 3447-53.
3. Yi-An Zhu*, Ying-Chun Dai, De Chen, Wei-Kang Yuan. First-principles study of C chemisorption and diffusion on the surface and in the subsurfaces of Ni(111) during the growth of carbon nanofibers. Surface Science, 2007, 601(5): 1319-25.
4. Yi-An Zhu*, Ying-Chun Dai, De Chen, Wei-Kang Yuan*. First-principles study of carbon diffusion in bulk nickel during the growth of fishbone-type carbon nanofibers. Carbon, 2007, 45(1): 21-7.
5. Yi-An Zhu*, Ying-Chun Dai, De Chen, Wei-Kang Yuan*. First-principles calculations of CH4 dissociation on Ni(100) surface along different reaction pathways. Journal of Molecular Catalysis A, 2007, 264(1-2): 299-308.
6. Yi-An Zhu, Xing-Gui Zhou
*, De Chen, Wei-Kang Yuan. Structure sensitivity of CH3 dissociation on Ni(100) from first-principles calculations.
Asia-Pacific Journal of Chemical Engineering,
2009, 4(5), 511-7.
7. Yi-An Zhu, De Chen*, Xing-Gui Zhou*, Wei-Kang Yuan. DFT studies of dry reforming of methane on Ni catalyst. Catalysis Today, 2009, 148(3-4), 260-7.
8. Yi-An Zhu, De Chen*, Xing-Gui Zhou*,Per-Olof Åstrand, Wei-Kang Yuan. First-principles calculations of C diffusion through the surface and subsurface of Ag/Ni(100) and reconstructed Ag/Ni(100). Surface Science, 2010, 604(2), 186-95.
9. Ming-Lei Yang, Yi-An Zhu, Chen Fan, Zhi-Jun Sui, De Chen, Xing-Gui Zhou*. Density functional study of the chemisorption of C1, C2 and C3 intermediates in propane dissociation on Pt(111). Journal of Molecular Catalysis A, 2010, 321(1-2), 42-9.
10. Chen Fan, Yi-An Zhu*, Xing-Gui Zhou, Zhi-Pan Liu*. Catalytic hydrogenation of benzene to cyclohexene on Ru(0001) from density functional theory investigations. Catalysis Today, 2010, in press.