雷雪玲 副教授

一．个人简历

雷雪玲，理学博士，副教授，凝聚态专业硕士生导师。2007年7月在河南大学获得硕士学位，2012年7月在中国科学技术大学获得博士学位。目前（2014年7-2015年7月）在美国南卡罗来纳州立大学（University of South Carolina）做博士后研究。主要从事新能源材料及团簇物理的理论计算，近年来在Int. J. Hydrogen Energy,J. Phys. Chem. A等国际知名杂志上发表论文二十多篇，全部为SCI收录。主持多项国家级课题和省级课题。

二、联系方式

E-mail:xueling@mail.ustc.edu.cn

三、研究方向

1、新能源材料结构与性质的模拟计算

2、燃料电池阴极表面与界面的理论研究

四、讲授课程

五、论文代表作

1.X. L. Lei *, G. Liu, M. S. Wu, B. Xu, C. Y. Ouyang and B. C. Pan，Hydrogen storage on calcium-decorated BC₇sheet: a first-principles study,International Journal of Hydrogen Energy, 39, 2124−2148,2014.

2.B. Xu,X. L. Lei *, G. Liu, M. S. Wu, C. Y. Ouyang, Li-decorated graphyne as high-capacity hydrogen storage media: First-principles plane wave calculations,International Journal of Hydrogen Energy, In Press,DOI: 10.1016/j.ijhydene.2014.07.182, 2014.

3.Xin Liu,Xueling Lei *, Jianxin Le and Chuying Ouyang, Structural features of medium-sized Ge_n(n= 35, 40, 45, 50, 55 and 60) clusters, In Press,J. Clust. Sci.DOI 10.1007/s10876-014-0794-1, 2014.

4.X. L. Lei^*, M. S. Wu, G. Liu, B. Xu, and C. Y. Ouyang, The Role of Cu in Degrading Adsorption of CO on the PtnCu Clusters,J. Phys. Chem. A, 117, 8293−8297, 2013.

5.LEI Xue-Ling *, LIU Gang, WU Mu-Sheng, XU Bo, OUYANG Chu-Ying, PAN Bi-Cai, The Origin of BC₇Sheet Metallicity and the Tuning of its Electronic Properties by Hydrogenation,Chin. Phys. Lett.30 (6), 06610, 2013.

6.WANG Zhi-Qiang,LEI Xue-Ling^*, WU Mu-Sheng, LIU Gang, XU Bo, OUYANG Chu-Ying, Theoretical Studies on the Small Sized Lithium-silicon Clusters Si_nLi (n=1−10)，Journal of Inorganic Materials, 28 (11), 1237-1242, 2013.

7.H. J. Chen, J. Huang,X. L. Lei, M. S. Wu, G. Liu, C. Y. Ouyang,B. Xu^*,Adsorption and Diffusion of Lithium on MoS₂Monolayer: The Role of Strain and Concentration,Int. J. Electrochem. Sci.8, 2196, 2013.

8.Li Peng-Fei, Zhang Yan-Ge,Lei Xue-Ling,Pan Bi-Cai, Stable structures of Ge₆₅, Ge₇₀, Ge₇₅and their electronic properties,Acta Phys. Sin.62(14), 143602, 2013.

9.Lei X. L., Pan B. C.^*, The geometries and proton transfer of hydrated divalent lead ion clusters [Pb(H₂O)_n]²⁺(n=1-17),J. Theor. Comput. Chem.11, 1149-1164, 2012.

10.Lei X. L., Pan B. C.^*, The structural features of the hydrated ferrous ion clusters: [Fe(H₂O)_n]²⁺(n=1-19),J. Clust. Sci.23, 311-324, 2012.

11.Lei, Xue-Ling^*, Structural evolution and electronic properties of neutral and anionic Al_nB_m(n+m=13),J. Clust. Sci.22, 159–172, 2011.

12.Liu Zhi-Feng,Lei Xue-Ling,Liu Li-Ren, Liu Huo-Yan and Zhu Heng-Jiang, “A density-functional theory for (BAs)_nclusters (n=1-14): structures”, stabilities and electronic properties.Chin. Phys. B, 20 (2): 023101, 2011.

13.Lei X. L., Pan B. C.^*, Structures, Stability, Vibration Entropy and IR Spectra of Hydrated Calcium Ion Clusters [Ca(H₂O)_n]²⁺(n=1-20, 27): A Systematic Investigation by Density Functional Theory,J. Phys. Chem. A, 114, 7595, 2010.

14.Lei Xue-Ling^*, Theoretical study of small Mo clusters and molecular nitrogen adsorption on Mo clusters,Chin. Phys. B, 19 (10): 107103, 2010.

15.Chen Hang,Lei Xue-Ling,Liu Li-Ren, Liu Zhi-Feng and Zhu Heng-Jiang, “Structures and electronic properties of Mo_2nN_n(n=1-5): a density functional study”.Chin. Phys. B, 19 (12): 123601, 2010.

16.Lei Xue-Ling, Wang Xian-Ming, Zhu Heng-Jiang and Luo You-Hua, “Appearance of metallic features in small tungsten clusters”Chin. Phys. B, 18(6): 2264-2270, 2009.

17.Liu Li-Ren,Lei Xue-Ling,Chen Hang and Zhu Heng-Jiang, Geometry and electronic properties of B_n(n=2-15) clusters.Acta. Physica Sinica, 58 (8): 5355,2009.

18.Lei, Xue-Ling,Zhao Wen-Jie, Yan Yu-Li, Yang Zhi and Luo You-Hua, “Density-functional theory study of structural and electronic properties of Be_n+1and Be_nLi (n=2-12) clusters”Physica B: Condensed Matter, 403 (4): 653, 2008.

19.Lei Xue-Ling, Zhu Heng-Jiang, Ge Hui-Xian, Wang Xian-Ming and Luo You-Hua, “Structures and magnetism of B_nNi (n=6-12) clusters from density-functional theory”Acta. Physica Sinica, 57 (9): 5491, 2008.

20.Lei Xue-Ling, Zhu Heng-Jiang, Wang Xian-Ming and Luo You-Hua, “Study on structures and properties of Zr_nB (n=1-13) clusters using DFT”Acta. Physico-Chimica Sinica, 24 (9): 1655,2008.

21.Lei Xue-Ling, Wang Qing-Lin,Yan Yu-Li, Zhao Wen-Jie, Yang Zhi and Luo You-Hua, “Structures and magnetism of small B_nNi (n<=5) clusters”Acta. Physica Sinica, 56 (8): 4484, 2007.

22.Zhao Wen-Jie,Lei Xue-Ling, Yan Yu-Li, Yang Zhi and Luo You-Hua, Ground-state structures and stabilities of Zr_n(n=2-16) clusters studied with density-functional theory.Acta. Physica Sinica, 56 (9): 5209,2007.

六、科研课题