姓    名：施思齐 
职    称：教授
博导/硕导：博导 
联系电话：021-66133141
电子邮箱：sqshi@shu.edu.cn 
个人简况
施思齐，男，上海高校特聘教授(东方学者)、博士生导师。入选2014年度上海市浦江人才计划。1998和2001年先后在江西师范大学获学士和硕士学位，2004年获中国科学院物理研究所博士学位。2004年8月至2013年5月先后在日本产业技术综合研究所，美国内布拉斯加州-林肯大学、美国布朗大学、通用汽车研发中心做博士后或访问学者。承担国家自然科学基金、省部级项目和企业委托项目7项。主要在锂离子电池材料中的锂离子/电子输运机理、界面问题、储能的热力学与动力学等方向上取得一些研究结果。攻读博士学位期间，在国内首先开始应用第一性原理计算来研究锂离子电池材料，丰富了电池材料的研究手段。在国际科技期刊发表SCI收录学术论文80余篇，他引1600余次，合作申请专利1项，在国际学术会议上做邀请报告6次，获省级自然科学奖三等奖1项。
研究方向
1.电化学能量储存材料的物理基础及微观设计
2.第一原理方法在材料科学研究中的应用
代表性成果
 [1]Discrete Li-occupation versus pseudo-continuous Na-occupation and their relationship with structural change behaviors in Fe2(MoO4)3, Ji-Li Yue, Yong-Ning Zhou, Siqi Shi*, Zulipiya Shadike, Xuan-Qi Huang, Jun Luo, Zhen-Zhong Yang, Hong Li, Lin Gu, Xiao-Qing Yang, Zheng-Wen Fu, Sci. Rep. 5, 8810 (2015).
[2]LiMn0.8Fe0.2PO4/C cathode material synthesized via co-precipitation method with superior high-rate and low-temperature performances for lithium-ion batteries, Wenchao Yang, Yujing Bi, Yinping Qin, Yang Liu, Xianhui Zhang, Bangcheng Yang, Qu Wu, Deyu Wang, Siqi Shi*, J. Power Sources 275, 785 (2015).
[3]Charge transfer and formation of Ce3+ upon adsorption of metal atom M (M=Cu, Ag, Au) on CeO2 (100) surface, Li-Jiang Chen, Yuanhao Tang, Lixia Cui, Chuying Ouyang, Siqi Shi*, J. Power Sources 234, 69 (2013).
[4]Defect Thermodynamics and Diffusion Mechanisms in Li2CO3 and Implications for the Solid Electrolyte Interphase in Li-Ion Batteries, Siqi Shi, Yue Qi, Hong Li, Louis G. Hector Jr., J. Phys. Chem. C (Feature Article & Cover paper) 117, 8579 (2013).
[5]Direct Calculation of Li-Ion Transport in the Solid Electrolyte Interphase, Siqi Shi, Peng Lu, Zhongyi Liu, Yue Qi, Louis G. Hector, Jr., Hong Li, Stephen J. Harris, J. Am. Chem. Soc. 134, 15476 (2012).
[6]First-principles investigation of transition metal atom M (M=Cu, Ag, Au) adsorption on CeO2(110), Lixia Cui, Yuanhao Tang, Hua Zhang, Louis G. Hector Jr., Chuying Ouyang, Siqi Shi*, Hong Li, Liquan Chen, Phys. Chem. Chem. Phys. 14, 1923 (2012).
[7]Electronic states of metal (Cu, Ag, Au) atom on CeO2(111) surface: The role of local structural distortion, Yuanhao Tang, Hua Zhang, Lixia Cui, Chuying Ouyang, Siqi Shi*, Weihua Tang, Hong Li, Liquan Chen, J. Power Sources 197, 28 (2012).
[8]First-principles investigation on redox properties of M-doped CeO2 (M=Mn, Pr, Sn, Zr), Yuanhao Tang, Hua Zhang, Lixia Cui, Chuying Ouyang, Siqi Shi*, Weihua Tang, Hong Li, Jong-Sook Lee, Liquan Chen, Phys. Rev. B 82, 125104 (2010).
[9]Magnetism of chromia from first-principles calculations, Siqi Shi, A. L. Wysocki, K. D. Belashchenko, Phys. Rev. B 79, 104404 (2009).
[10]First-principles investigation of the bonding, optical and lattice dynamical properties of CeO2, Siqi Shi, Xuezhi Ke, Chuying Ouyang, Hua Zhang, Hangchen Ding, Yuanhao Tang, Weiwei Zhou, Peijuan Li, Minsheng Lei and Weihua Tang, J. Power Sources 194, 830 (2009).
[11]Effect of Mg-doping on the structural and electronic properties of LiCoO2: A first-principles investigation, Siqi Shi*, Chuying Ouyang, Minsheng Lei, Weihua Tang, J. Power Sources 171, 908 (2007).
[12]First-principles study of the tensile strength and failure of alpha-Al2O3(0001)/Ni(111) interfaces, Siqi Shi, Shingo Tanaka, Masanori Kohyama, Phys. Rev. B 76, 075431 (2007).
[13]First-principles investigation of the atomic and electronic structures of alpha-Al2O3(0001)/Ni(111) interfaces, Siqi Shi, Shingo Tanaka and Masanori Kohyama, J. Am. Ceram. Soc. 90, 2429 (2007).
[14]First-principles investigation of the structural, magnetic, and electronic properties of olivine LiFePO4, Siqi Shi, Chuying Ouyang, Zhihua Xiong, Lijun Liu, Zhaoxiang Wang, Hong Li, Dingsheng Wang, Liquan Chen, Xuejie Huang, Phys. Rev. B 71, 144404 (2005).
[15]Ab initio studies on the stability and electronic structure of LiCoO2 (003) surfaces, Liyun Hu, Zhihua Xiong, Chuying Ouyang, Siqi Shi, Yinghua Ji, Minsheng Lei, Zhaoxiang Wang, Hong Li, Xuejie Huang, Liquan Chen, Phys. Rev. B 71, 125433 (2005).
[16]First Principles Study of Li ion Diffusion In LiFePO4, Chuying Ouyang, Siqi Shi, Zhaoxiang Wang, Xuejie Huang, Liquan Chen, Phys. Rev. B 69, 104303 (2004).
[17]Enhancement of electronic conductivity of LiFePO4 by Cr doping and its identification by first-principles calculations, Siqi Shi, Lijun Liu, Chuying Ouyang, Dingsheng Wang, Zhaoxiang Wang, Liquan Chen, Xuejie Huang, Phys. Rev. B 68, 195108 (2003).
[18]First-principles Studies of cation-doped spinel LiMn2O4 for lithium ion batteries, Siqi Shi, Dingsheng Wang, Sheng Meng, Liquan Chen, Xuejie Huang, Phys. Rev. B 67, 115130 (2003).

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