一、个人简历
徐波，理学博士, 教授, 凝聚态专业和理论物理专业硕士生导师。分别于2002年7月和2007年7月在中国科学技术大学物理系获得学士学位和博士学位。2009年2月至2011年3月在新加坡国立大学（National University of Singapore）从事博士后研究，并于2010年8月至2011年11月在美国橡树岭国家实验室进行学术访问。全国高等学校热力学与统计物理教学研究会理事，2013年入选“西部之光”访问****研究计划。研究方向为计算材料物理，新能源材料的模拟与设计，近年来在Physics Review B, Applied Physics Letters等国际知名杂志上发表论文五十多篇，均为SCI收录。主持多项国家级课题和省部级课题。
二、联系方式
E-mail: bxu4@mail.ustc.edu.cn; QQ: **
三、研究方向
1、锂离子电池电极材料的模拟与设计
2、异质结和低维纳米体系的结构和电子结构的理论研究。
四、讲授课程
课程名称
授课对象
备注
原子物理
本科生
结构与物性
本科生
固体物理
本科生
凝聚态物理理论
凝聚态物理专业研究生
计算物理
凝聚态物理专业研究生
固体理论
凝聚态物理专业研究生
五、研究生培养
硕士生
年级
姓名
专业
备注
在读
14级
卢欢胜
理论物理
已毕业
13级
刘波
凝聚态物理
12级
杜桃园
凝聚态物理
12级
李细莲
凝聚态物理
11级
黄娟
凝聚态物理
11级
陈红金
凝聚态物理
10级
邹小翠
理论物理
10级
欧阳洁
凝聚态物理
六、主要论文代表作
1. T. Y. Du, B. Xu*， M. S. Wu, G. Liu, C. Y. Ouyang, Insight into the Vibrational and Thermodynamic Properties of Layered Lithium Transition-Metal Oxides LiMO2 (M = Co, Ni, Mn): A First-Principles Study, J. Phys. Chem. C, 120, 5876 (2016).
2. M. S. Wu, B. Xu, L. Q. Chen, C. Y. Ouyang, Geometry and fast diffusion of AlCl4 cluster intercalated in graphite, Electrochim. Acta, 195, 158 (2016).
3. J. P. Hu, B. Xu*, C. Y. Ouyang, Y. Zhang, S. A. Yang, Investigations on Nb
4. B. Liu, B. Xu*, M. S. Wu, C. Y. Ouyang, First-principles GGA plus U Study on Structural and Electronic Properties in LiMn0.5Ni0.5O2, LiMn0.5Co0.5O2 and LiCo0.5Ni0.5O2, Int. J. Electrochem. Sci., 11, 432 (2016).
5. G. Liu, S. B. Liu, B. Xu, C. Y. Ouyang, H. Y. Song S. Guan, S. A. Yang, Multiple Dirac Points and Hydrogenation-Induced Magnetism of Germanene Layer on Al (111) Surface, J. Phys. Chem. Lett., 6, 4936 (2015).
6. J. P. Hu, B. Xu*, S. A. Yang, S. Guan, C. Y. Ouyang, Y. G. Yao, 2D Electrides as Promising Anode Materials for Na-Ion Batteries from First-Principles Study, ACS Appl. Mater. Interfaces, 7, 24016 (2015).
7. J. P. Hu, B. Xu*, C. Y. Ouyang, S. A. Yang, Y. G. Yao, Investigations on V
8. 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, Int. J. Hydrogen Energy, 39, 17104 (2014).
9. B. Xu*, M. S. Wu, G. Liu, X. L. Lei, J. Ouyang, C. Y. Ouyang, Curvature induced magnetic nanonodes in (6,0) SiC/C nanotube heterojunction superlattice, Physica E, 58, 153 (2014).
10. B. Xu*, L. Wang, H. J. Chen, J. Zhao, G. Liu, M. S. Wu, Adsorption and diffusion of lithium on 1T-MoS2 monolayer, Comp. Mater. Sci., 93, 86 (2014).
11. T. Y. Du, J. Zhao, G. Liu, J. X. Lei, B. Xu*, First-principles study of the stability of silicane and germanane under strain, Mod. Phys. Lett. B, 28, ** (2014).
12. J. Huang, H. J. Chen, M. S. Wu, G. Liu, C. Y. Ouyang, B. Xu*, First-principles calculation of lithium adsorption and diffusion on silicene, Chin. Phys. Lett., 30, 017103 (2013).
13. X. C. Zou, J. Ouyang, M. S. Wu, G. Liu, X. L. Lei, C. Y. Ouyang, B. Xu*, First-principles study on β-SiC/BNNT core/shell nanocable, Mod. Phys. Lett. B, 27, ** (2013).
14. M. S. Wu, B. Xu*, G. Liu, X. L. Lei, C. Y. Ouyang, Effects of hydrogen on Mn-doped GaN: A first principle calculation, Physica B, 425, 38 (2013).
15. G. Liu, M. S. Wu, C. Y. Ouyang, B. Xu*, Strain-tunable gap of BC3 sheet: A first-principles investigation, Mod. Phys. Lett. B, 27, ** (2013).
16. B. Xu*, J. Ouyang, Y. Xu, M. S. Wu, G. Liu, C. Y. Ouyang, The structural, mechanical and electronic properties of (4,4) SiC/C nanotube heterojunction: A first-principles study, Comp. Mater. Sci., 68, 367 (2013).
17. M. S. Wu, B. Xu*, G. Liu, C. Y. Ouyang, First-principles study on the electronic structures of Cr- and W-doped single-layer MoS2, Acta Phys. Sin., 62, 037103 (2013).
18. X. C. Zou, M. S. Wu, G. Liu, C. Y. Ouyang, B. Xu*, First-principles study on the electronic structures of beta-SiC/carbon nanotube core-shell structures, Acta Phys. Sin., 62, 107101 (2013).
19. 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).
20. B. Xu*, M. S. Wu, G. Liu, C. Y. Ouyang, Understanding the effect of the layer-to-layer distance on Li-intercalated graphite and multi-layer graphene，J. Appl. Phys., 111, 124325 (2012).
21. G. Liu, M. S. Wu, C. Y. Ouyang, B. Xu*, Strain-induced semimetal-metal transition in silicene, Europhys. Lett., 99, 17010 (2012).
22. H. J. Yan, B. Xu, S. Q. Shi, C. Y. Ouyang, First-principles study of the oxygen adsorption and dissociation on graphene and nitrogen doped graphene for Li-air batteries, J. Appl. Phys., 112, 104316 (2012).
23. H. J. Yan, Z. Q. Wang, B. Xu, C. Y. Ouyang. Strain induced enhanced migration of polaron and lithium ion in lambda-MnO2, Funct. Mater. Lett., 5, ** (2012).
24. B. Xu, V. R. Cooper, D. J. Singh, Y. P. Feng, Relationship between bond stiffness and electrical energy stroage capacity in oxides: Density functional calculations for h-La2O3, MgO, and BeO, Phys. Rev. B, 83, 064115 (2011).
25. B. Xu, D. J. Singh, V. R. Cooper, Y. P. Feng, Design of a low band gap oxide ferroelectric: Bi6Ti4O17, Europhys. Lett., 94, 37006 (2011).
26. B. Xu, Y. H. Lu, Z. D. Sha, Y. P. Feng, J. Y. Lin, Coupling of magnetic edge states in Li-intercalated bilayer and multilayer zigzag graphene nanoribbons, Europhys. Lett., 94, 27007 (2011).
27. Y. H. Lu, B. Xu, A. H. Zhang, M. Yang, Y. P. Feng, Hexagonal TiO2 for photoelectrochemical applications, J. Phys. Chem. C, 115, 18042 (2011).
28. B. Xu, Y. P. Feng, Electronic structures and transport properties of sulfurized carbon nanotubes, Solid State Commun., 150, 2015 (2010).
29. B. Xu, Y. H. Lu, Y. P. Feng, J. Y. Lin, Density functional theory study of BN-doped graphene superlattice: Role of geometrical shape and size, J. Appl. Phys., 108, 073811 (2010).
30. Y. H. Lu, B. Xu, R. Q. Wu, Y. P. Feng, Two-dimensional electron or hole gas at ZnO/6H-SiC interface, Appl. Phys. Lett., 96, 192109 (2010).
31. B. Xu, J. Y. Lin, Y. P. Feng, Mechanical control of magnetic states of finite carbon chains encapsulated in single wall carbon nanotubes, Appl. Phys. Lett.,96, 163105 (2010).
32. B. Xu*, B. C. Pan, The effect of hydrogen and oxygen atoms on the adsorbed gallium inside defective carbon nanotubes, Eur. Phys. J. B, 73, 413 (2010).
33. B. Xu, J. Y. Lin, S. H. Lim, Y. P. Feng, Structural and electronic properties of finite carbon chains encapsulated into carbon nanotubes, J. Phys. Chem. C, 113, 21314 (2009).
34. B. Xu, B. C. Pan, Effect of nitrogen vacancies on transition-metal-doped GaN: An ab initio study, J. Appl. Phys., 105, 103710 (2009).
35. B. Xu, B. C. Pan, Study of gallium fragments encapsulated in single-walled carbon nanotubes, J. Phys. Chem. C, 113, 567 (2009).
36. B. Xu, B. C. Pan, Interaction between gallium atoms and the inner walls of single-walled carbon nanotubes, Nanotechnology, 19, 075706 (2008).
37. B. Xu, B. C. Pan, Size-dependent electronic and optical properties of GaN nanotubes studied using LDA calculations, Phys. Rev. B, 74, 245402 (2006).
38. B. Xu, B.C. Pan, The effect of atomic vacancies and grain boundaries on the mechanical properties of single-crystal GaN nanotubes, J. Appl. Phys., 99, 104314 (2006).
39. B. Xu, A. J. Lu, B. C. Pan, Q. X. Yu, Atomic structures and mechanical properties of single-crystal GaN nanotubes, Phys. Rev. B, 71, 125434 (2005).
七、科研课题
序号
课题名称
课题来源
起迄时间
科研经费
主持、参与情况
1
锂离子电池正极材料的稀土掺杂研究(20152ACB21014)
省青年科学基金重点项目
2015.1~2017.12
(在研)
20万
主持
2
下一代超高容量锂离子电池硅负极材料的脱嵌锂机理研究(20151BAB202006)
江西省自然科学基金
2015.1~2017.12
(在研)
5万
主持
3
锂离子电池层状正极材料的热力学研究(**)
国家自然科学基金
2013.1~2016.12
(在研)
50万
主持
4
磁性原子吸附的纳米管异质结磁性和电子输运性质的理论研究
国家自然科学基金
2010.1~2012.12
(结题)
20万
主持
5
锂离子电池三元正极材料的热力学理论研究
教育部留学回国人员基金
2014.1-2016.12
(在研)
3万
主持
6
磁性原子吸附的纳米管异质结磁性和电子输运性质的研究(2009GQW008)
江西省自然科学基金
2010.1~2012.12
(结题)
1万
主持
7
碳硅体系的纳米管异质结结构和物性的理论研究(GJJ09466)
江西省教育厅青年科学基金
2009.1~2010.12
(结题)
1万
主持
