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 BC₇ sheet: 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 BC₇ Sheet 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 MoS₂ Monolayer: 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, Ge₇₅ and 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)_n clusters (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+1 and 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