1983. 9~1987. 7 BS, Physic Department, Beijing Normal University 1987. 9~1990. 7 MS, Physic Department, Peking University 2002. 9~2005. 9 Ph. D, Institute of Physics, Chinese Academy of Sciences

1990. 7~2002. 9 Teaching Physics, FORTRAN, and C Programming in Shijiazhuang Railway Institute (SJZRI), Hebei 2005.10 ~2006.10 Post-doc, Rensselaer Polytechnic Institute (RPI), Troy, NY 2006.10~ 2009.10 Post-doc and research associate, National Renewable Energy Laboratory (NREL), Golden, CO 2009.10- now Professor, Nankai University, Tianjin

擅长表界面体系、催化、缺陷体系、晶体生长等的第一性原理计算。最近的兴趣在于高温氧化物超导体中缺陷导致的正常态性质的模拟方法。

PUBLICATIONS:

1. S. B. Zhang, Lixin Zhang, Lifang Xu, E. G. Wang, Xi Liu, Jin-Feng Jia, and Qi-Kun Xue, “Spin driving reconstructions on the GaAs(001):Mn surface”, Phys. Rev. B 69, 121308(R) (2004). 

2. Yang Guo, Yan-Feng Zhang, Xin-Yu Bao, Tie-Zhu Han, Zhe Tang, Li-Xin Zhang, Wen-Guang Zhu, E. G. Wang, Qian Niu, Z. Q. Qiu, Jin-Feng Jia, Zhong-Xian Zhao, Qi-Kun Xue, “Superconductivity modulated by quantum size effects”, Science 306, 1915 (2004). 

3. Lixin Zhang, S. B. Zhang, Qi-Kun Xue, Jin-Feng Jia, and E. G. Wang, “Electronic structure of identical metal cluster arrays on Si(111)-7x7 surfaces”，Phys. Rev. B. 72 033315 (2005).

4. Lixin Zhang, E. G. Wang, “Surface reconstructions and the local magnetic moments in Mn/GaAs(001) system”, Acta Physica Sinica, V55, 1, 142(2006) (in Chinese).

5. Lixin Zhang, E. G. Wang, Q. K. Xue, S. B. Zhang, and Zhenyu Zhang, “Generalized Electron Counting in Determination of Metal-Induced Reconstruction of Compound Semiconductor Surfaces”, Phys. Rev. Lett. 97, 126103 (2006).

6. Lixin Zhang and Hanchen Huang, “Young’s moduli of ZnO nanoplates: Ab initio determinations”, Appl. Phys. Lett. 89, 183111 (2006).

7. Lixin Zhang and Hanchen Huang, “Structural transformation of ZnO nanostructures”, Appl. Phys. Lett. 90, 023115 (2007).

8. Y. Liu, Y. Cai, Lixin Zhang, M. H. Xie, N. Wang, S. B. Zhang, and H. S. Wu, “Dislocation network at InN/GaN interface revealed by scanning tunneling microscopy”, Appl. Phys. Lett. 92, 231907 (2008).

9. Shenyuan Yang, Lixin Zhang, Hua Chen, Enge Wang, and Zhenyu Zhang, “Generic guiding principle for the prediction of metal-induced reconstructions of compound semiconductor surfaces”, Phys. Rev. B 78, 075305 (2008).

10. H. Narita, A. Kimura, M. Taniguchi, H. Nakatake, T. Xie, S. Qiao, H. Namatame, S. Yang, L. Zhang, and E. G. Wang, “Tip-induced band bending effect and local electronic structure of Al nanoclusters on Si(111)”, Phys. Rev. B 78, 115309 (2008).

11. Lixin Zhang, Juarez L. F. Da Silva, Jingbo Li, Yanfa Yan, T.A. Gessert, and Su-Huai Wei, “Effect of Co-Passivation of Cl and Cu on CdTe Grain Boundaries”, Phys. Rev. Lett. 101, 155501 (2008).

12. Lixin Zhang, Yanfa Yan, and Su-Huai Wei, “Enhancing Dopant Solubility via Epitaxial Surfactant Growth”, Phys. Rev. B 80, 073305 (2009).

13. Lixin Zhang, Qing Song, and S. B. Zhang, “Exceptionally Strong Hydrogen Bonds Affect the Surface Energy of Colloidal Nanocrystals: Methylamine and Water Adsorption on PbS Surface”, Phys. Rev. Lett. 104, 116101 (2010).

14. Lixin Zhang, W. E. McMahon, and Su-Huai Wei,”Passivation of deep electronic states of partial dislocations in GaAs: A theoretical study”, Appl. Phys. Lett. 96, 121912 (2010).

15. Jing Teng, Lixin Zhang, Kehui Wu, Ying Jiang, Jiandong Guo, Qinlin Guo, Philipp Ebert, T. Sakurai and Enge Wang, “Catalyst like behavior of Si adatoms in the growth of monolayer Al film on Si(111)”, J. Chem. Phys. 133, 014704 (2010).

16. Xiang- Feng Zhou, Xiao Dong, Guang- Rui Qian, Lixin Zhang, Yonjun Tian, and Hui- Tian Wang, “Unusual compression behavior of TiO2 polymorphs from first principles”, Phys. Rev. B 82, 060102(R)(2010).

17. Lixin Zhang, Xiang-Feng Zhou, Hui-Tian Wang, Jing-Jun Xu, Jingbo Li, E. G. Wang, and Su-Huai Wei, “Origin of insulating behavior of the p-type LaAlO3/SrTiO3 interface: Polarization-induced asymmetric distribution of oxygen vacancies”, Phys. Rev. B 82, 125412 (2010).

18. Xiang-Feng Zhou, Guang-Rui Qian, Xiao Dong, Lixin Zhang, Yongjun Tian, and Hui-Tian Wang, “Ab initio study of the formation of transparent carbon under pressure”, Phys. Rev. B 82, 134126 (2010).

19. Lixin Zhang and Su-Huai Wei, “Spatial charge distribution and conductivities of the LaAlO3/SrTiO3 interfaces: a theoretical study”, Solid State Communications, 151, 21 (2011).

20. Xiang-Feng Zhou, Artem R. Oganov, Xiao Dong, Lixin Zhang, Yongjun Tian, and Hui-Tian Wang “Superconducting high-pressure phase of platinum hydride from first principles”, Phys. Rev. B 84, 054543 (2011).

21. Yexin Feng, Feifei Li,Zhenpeng Hu, Xiaoguang Luo, Lixin Zhang*, Xiang-Feng Zhou, Hui-Tian Wang, Jing-Jun Xu, and E. G. Wang, “Tuning the Catalytic Property of Nitrogen Doped Graphene for Cathode Oxygen Reduction Reaction”, Phys. Rev. B 85, 155454 (2012).

22. Lixin Zhang, W.E. McMahon, Y. Liu, Y. Cai, M.H. Xie, N. Wang, and S.B. Zhang, “Triple-period partial misfit dislocations at the InN/GaN (0001) interface: A new dislocation core structure for III-N materials”, Surface Science 606, 1728 (2012).

23. Hyesun Yoo, JunHo Kim, and Lixin Zhang, “Sulfurization temperature effects on the growth of Cu2ZnSnS4 thin film”, Current Applied Physics 12,1052 (2012).

24. Feifei Li, Meng Liang, Wenli Du, Mei Wang, Yexin Feng, Zhenpeng Hu, Lixin Zhang*, and E. G. Wang, “Writing charge into the n-type LaAlO₃/SrTiO₃ interface: A theoretical study of the H₂O kinetics on the top AlO₂ surface”, Appl. Phys. Lett. 101, 251605(2012).

25. Xiaolong Yao, Yexin Feng, Zhenpeng Hu, Lixin Zhang* and E. G. Wang, “Dimerization of boron dopant in diamond (100) epitaxy induced by strong pair correlation on surface”, Journal of Physics: Condensed Matter 25, 045011(2013).

26. Yexin Feng, Xiaolong Yao, Mei Wang, Zhenpeng Hu, Xiaoguang Luo, Hui-Tian Wang, and Lixin Zhang*, “The atomic structures of carbon nitride sheets for cathode oxygen reduction catalysis”, J. Chem. Phys. 138, 164706 (2013).

27. Yexin Feng, Xiaolong Yao, Zhenpeng Hu, Jing-Jun Xu, and Lixin Zhang*, “Passivating a transition-metal surface for more uniform growth of graphene: Effect of Au alloying on Ni(111) ”, Phys. Rev. B 87, 195421 (2013).

28. Zhinan Ma, Zhenpeng Hu, Xudong Zhao, Qing Tang, Dihua Wu, Zhen Zhou, and Lixin Zhang, “Tunable Band Structures of Heterostructured Bilayers with Transition-Metal Dichalcogenide and MXene Monolayer”, J. Phys. Chem. C 118, 5593 (2014).

29. Feifei Li, Yexin Feng, Zhenpeng Hu, Jing-Jun Xu and Lixin Zhang*, “Substrate engineering in stabilizing epitaxial MgO(1 1 1) polar ultrathin films: first-principles calculations”, J. Phys.: Condens. Matter 26, 315014 (2014).

30. Yexin Feng, X. Z. Li, E. G. Wang, S. B. Zhang, and Lixin Zhang*, “Microscopic origin for the orientation dependence of NV centers in chemical-vapor-deposited diamond”, J. Phys.: Condens. Matter 26, 485004 (2014).

31. Shaoyuan Li, Jialei Hao, Feifei Li, Ziping Niu, Zhenpeng Hu*, and Lixin Zhang*, “The key role of van-der-Walls interactions in MPc /Au(111) (M=Co, Fe, H2) systems based on first-principles calculations”, J. Phys. Chem. C 118, 27843 (2014).

32. Ling Liu and Lixin Zhang*, “Is there any substrate that is better than Ir(100) for diamond nucleation?”, J. Phys.: Condens. Matter 27, 435004 (2015).

33. Jialei Hao, Chengxi Huang, Haiping Wu, Yuhao Qiu, Qian Gao, Zhenpeng Hu, Erjun Kan, and Lixin Zhang, A promising way to open an energy gap in bilayer graphene, Nanoscale 7, 17096 (2015).

34. Yu Guo, Yexin Feng, and Lixin Zhang*, “Revealing the growth mechanism of SiV centers in chemical vapor deposition of diamond”, Diam. Relat. Mater. 61, 91 (2016).

35. Ping Yang, Qian Gao, Zhen-Peng Hu, and Li-Xin Zhang, “A first-principles study on Al-doped ZnO growth polarity on sapphire (0001) surface”, EPL (Europhysics Letters) 114, 66003 (2016).

36. Yexin Feng, Keqiu Chen, Xin-Zheng Li, Enge Wang, and Lixin Zhang*, “Hydrogen induced contrasting modes of initial nucleations of graphene on transition metal surfaces”, J. Chem. Phys. 146, 034704 (2017).

37. Junjie Wang, Kexun Li, Lixin Zhang, Baochao Ge, Yi Liu, Tingting Yang, and Di Liu, “Temperature-dependent Cu0.92Co2.08O4 modified activated carbon air cathode improves power output in microbial fuel cell”, International Journal of Hydrogen Energy, 42(5), 3316-3324 (2017).

38. Yang Li, Chunyang He, and Lixin Zhang*, “Identification of the active sites in sulfur-doped graphene for oxygen reduction reaction: The key role of the dissociated O2 adsorption”,  Solid State Communications 267, 33 (2017).

39. Jin Li and Lixin Zhang*, “Tuning the Si(100) surface by Pb to yield high-Curie-temperature Si_1−xMn_x with MBE: A first-principles study”, EPL (Europhysics Letters) 120, 47001 (2017).

40. Jialei Hao and Lixin Zhang*, “Strongly reduced Ehrlich-Schwoebel barriers at the Cu (111) stepped surface with In and Pb surfactants”, Surface Science 667, 13-16 (2018).

41. Xiong-Xiong Xue, Yexin Feng*, Keqiu Chen and Lixin Zhang*, “The vertical growth of MoS₂ layers at the initial stage of CVD from first-principles”, J. Chem. Phys. 148, 134704 (2018).

42. Yunqiu He, Si-Qin Wang, Xiong-Xiong Xue, Lixin Zhang, Ke-Qiu Chen, Wu-Xing Zhou, and Ye-xin Feng, “Ab initio study of the moisture stability of lead iodine perovskites”, J. Phys.: Condens. Matter 30, 355501 (2018).

43. L. W. Wu, Y. X. Bai, L. Wu*, H. Yi, X. Z. Zhang, L. X. Zhang, Y. F. Kong, Y. Zhang*, J. J. Xu, “Analysis of the structure and abnormal photoluminescence of a red-emitting LiMgBO3: Mn2+ phosphor”, Dalton Transactions, 47, 13094-13105 (2018).

44. Weiwei Wang, Dahuai Zheng, Mengyuan Hu, Shahzad Saeed, Hongde Liu, Yongfa Kong, Lixin Zhang, and Jingjun Xu, “Effect of Defects on Spontaneous Polarization in Pure and Doped LiNbO3: First-Principles Calculations”, Materials12(1), 100 (2019). 

45. Ping Yang, Lixin Zhang*, “A theoretical study of step edge geometry on sapphire(0001) and its effect on ZnO nucleation”, Front. Phys. 14, 23606 (2019).

46. Jianqi Zhu, Zhichang Wang, Huijia Dai, Qinqin Wang, Rong Yang, Hua Y, Mengzhou Liao, Jing Zhang, Wei Chen, Zheng Wei, Na Li, Luojun Du, Dongxia Shi, Wenlong Wang, Lixin Zhang,* Ying Jiang and Guangyu Zhang， Boundary activated hydrogen evolution reaction on monolayer MoS2，Nature Communications, 10:1348 (2019).

47. Xiong-Xiong Xue, Li-Ming Tang, Keqiu Chen, Lixin Zhang,* En-ge Wang,  and Yexin Feng, “Bifunctional mechanism of the N, P co-doped graphene for catalyzing oxygen reduction and evolution reactions”, J. Chem. Phys. 150, 104701 (2019).

48. Zhao, Qiao; Li, Hanbo; Zhang, Lixin; Cao, Yaan; “Study of PdO species on surface of TiO2 for photoreduction of CO2 into CH4”, Joural of Photochemistry and Photobiology A-Chemistry 384, 112032 (2019).

49. Ding Sun, Yanyan Ding, Lingwei Kong, Yuhong Zhang, Xiujuan Guo, Liming Wei, Li Zhang, Lixin Zhang,*“First-principles Study on Mg Doping in Cu2ZnSnS4”, Journal of Inorganic Materials 35,1290-1294 (2020).

50. Nasir Shehzad,  Ismail Shahid, Sai Yao, Sheraz Ahmad, Anwar Ali, Lixin Zhang, and Zhen Zhou,“A first-principles study of electronic structure and photocatalytic performance of two-dimensional van der Waals MTe2-As (M = Mo, W)”,International Journal of Hydrogen Energy 45, 27089-27097 (2020).

51. Yu, Yanlong; Jiang, Pengchong; Yan, Yabin; Li, Hanbo; Zhang, Lixin; Jiang, Shan; Yang, Wensheng; Cao, Yaan；“Animal heat activated cancer therapy by a traditional catalyst TiO2-Pd/graphene composites”, Scientific Reports 10, 15823 (2020).

52. Li, Hanbo; Sun, Tongqing; Zhang, Lixin; Cao, Yaan;“Matching and adjusting energy band structures of Pd-modified sulphides (ZnS, In2S3 and CuS) and improving the photocatalytic activity of CO2 photoreduction”, Nanoscale 12, 18180-18192 (2020).

53. Shahid, Ismail; Ahmad, Sheraz; Shehzad, Nasir; Yao, Sai; Nguyen, Chuong V.; Zhang, Lixin; Zhou, Zhen;“Electronic and photocatalytic performance of boron phosphide -blue phosphorene vdW heterostructures”, Applied Surface Science 523, 146483 (2020).

54. Wang, Weiwei; Liu, Hongde; Zheng, Dahuai; Kong, Yongfa;  Zhang, Lixin; Xu, Jingjun; “Interaction between Mo and intrinsic or extrinsic defects of Mo doped LiNbO3 from first-principles calculations”, J. Phys.: Condens. Matter 32,255701 (2020).

55. Wang, Weiwei; Zhong, Yang; Zheng, Dahuai; Liu, Hongde; Kong, Yongfa; Zhang, Lixin; Romano, Rupp; Xu, Jingjun; “p-Type conductivity mechanism and defect structure of nitrogen-doped LiNbO3 from first-principles calculations”, Physical Chemistry Chemical Physics 22, 20-27 (2020).

56. Zijian Lan, Yanlong Yu,  Hanbo Li,  Lixin Zhang,  Yaan Cao, “Thermal catalytic mechanism for the metal ions(Cu, in, Pd and Pt) modified TiO2 on degradation of HCHO”, Materials Science in Semiconductor Processing 123, 105547 (2021).

57. Yanyan Ding, Yangyang Xu, and Lixin Zhang*, “Tin Alloying Enhances Catalytic Selectivity of Copper Surface: A Mechanistic Study Based on First-Principles Calculations”, The Journal of Physical Chemistry Letters 12, 3031–3037 (2021).

58. Yanyan Ding, Yangyang Xu, and Lixin Zhang*, “Structures, Scaling Relations, and Selectivities of the Copper-Based Binary Catalysts for CO₂ Reduction Reactions”, J. Phys. Chem. C 126,  42, 17966–17974 (2022).

59.  Yangyang Xu, Zhibin Dai, Yanyan Xu, and Lixin Zhang*, “Revealing the Synergy between Zinc and Aluminum in Cu/ZnO/Al₂O₃ Industrial Catalyst”, J. Chem. Phys. 157, 221101 (2022).

固体物理，本科生， 每年第二学期，68学时

固体理论，研究生，每年第二学期，51学时