LI Dan

Professional title:Associate Professor

Office No.:86-10-51684322


2006/07- to date, Associate professor, Department of physics, Beijing Jiaotong University

2002/07-2006/07, Lecturer, Department of physics, Beijing Jiaotong University

2000/07-2002/06, Postdoctoral, Department of physics, Fudan University, Shanghai.

1995/09-2000/06, Changchun Institute of optics, fine mechanics and physics, Chinese Academy of Sciences, PhD.

1991/09-1995/06, Jiamusi University, Bachelor.

Professional Experience

Our research group is engaged in the study of computational condensed matter physics. Students interested in this research field are welcome to join us.

Research Field

My main research field is computational condensed matter physics, involving the theoretical calculation of materials and quantum transport. At present, we mainly study the electronic structures of novel organic-inorganic perovskite materials, clusters, diluted magnetic semiconductor materials and low dimensional (two-dimensional, one-dimensional and zero dimensional) systems; The electron and spin transport of low dimensional materials, nano, molecular and other small-scale systems and new materials are studied. The photoelectric properties and quantum transport properties of the materials are analyzed and predicted by theoretical calculation.


Major research project of Beijing Municipal Science and Technology Commission: Research on the stability of organic / inorganic hybrid high-efficiency perovskite electric field materials and devices, participant.

National Natural Science Foundation of China: The stability of perovskite photovoltaic devices is enhanced by inhibiting the ion migration and diffusion of organic-inorganic perovskite, participant.

National Natural Science Foundation of China: Novel material properties of organic-inorganic halide perovskite: ion behavior and carrier space separation, participant.

University Science and Technology Fund: 3d transition metal magnetic ultra-high halogen research, participant.

University Science and Technology Fund: Research on doping semiconductor nanocrystals and improving doping effect, project leader. 

National Natural Science Foundation of China: two unit stacked panchromatic organic light emitting devices, project leader. 

University Science and Technology Fund: Research on the dynamic mechanism of quantum phase, participant.

National Natural Science Foundation of China: composite structure light emitting diodes integrated with quantum dots and organic materials.            NSFC: rare earth ions as spectral probes for the surface structure of nanocrystals, participant.

Ministry of science and technology: Research on nano optical functional materials doped with rare earth ions, participant.

University Science and Technology Fund: theoretical research on low dimensional semiconductor ultrafast process, project leader.

Teaching Courses

Solid state physics (undergraduate course)

Semiconductor Physics (undergraduate course)

Condensed matter physics (postgraduate course)

Advanced quantum mechanics (postgraduate course)


  1. He Zhang, Ting Yu, Dan Li,* Anqi Yang, Xinxin Lai, Chunjun Liang,* and Yanwu Lu, High Stability and Efficiency Photovoltaic Materials Based on Functional Diamino Organic Cation Halide Hybrid Perovskite Superlattice Structure, ACS Applied Energy Materials, Accepted on 18 August 2021(An3, IF=6.024)
  2. Qi Song, Hongkang Gong, Chao Ji, Huimin Zhang, Fulin Sun, Fangtian You, Zhiqun He,* Dan Li,* Chunjun Liang,* Perovskite Passivation with a Bifunctional Molecule 1,2-Benzisothiazolin-3-One for Efficient and Stable Planar Solar Cells,  Solar RRL, published: 11 August 2021,
  3. Dong Li, Dan Li*, Anqi Yang, He Zhang, Xinxin Lai, and Chunjun Liang*, Electronic and Optical Properties of van der Waals Heterostructures Based on Two-Dimensional Perovskite (PEA)2PbI4 and Black Phosphorus, ACS Omega 6(32) (2021) 20877–20886. (An3, IF=3.512)
  4. Di Zhang, Dan Li,* Wangzhe Zhou, Hu Tang, He Zhang, Anqi Yang, Chunjun Liang, The influence of localized states on the optical absorption and carrier transport properties of acylamino hybrid perovskites with tunable electronic structures, Chinese Journal of Physics 70 (2021) 240–250, (An3, IF=3.237)
  5. Wangzhe Zhou, Hu Tang, Dan Li,* Di Zhang, He Zhang, Anqi Yang, Chunjun Liang, Quasi three-dimensional lead iodide perovskite using pyridine-2,5-diamine and 4,40-bipyridine with tunable electronic structure, carrier transport, optical absorption properties, Journal of Alloys and Compounds 856 (2021) 157391, (An2, IF=4.175)
  6. Dong Li, Dan Li,* He Zhang, Anqi Yang, and Chunjun Liang,* High-performance Photovoltaic Materials Based on the Superlattice Structures of Organic-inorganic Halide Perovskite and Superhalogen Hybrid Perovskite, Journal of Physical Chemistry Letters 11 (2020) 5282−5294. (An1, IF: 8.464)
  7. Chao Ji, Chunjun Liang*, Huimin Zhang, Mengjie Sun, Qi Song, Fulin Sun, Xiaona Feng, Ning Liu, Hongkang Gong, Dan Li*, Fangtian You, and Zhiqun He*, Secondary Grain Growth in Organic–Inorganic Perovskite Films with Ethylamine Hydrochloride Additives for Highly Efficient Solar Cells, ACS Appl. Mater. Interfaces 2020, 12, 17, 20026–20034. Publication Date: April 6, 2020. (An1, IF: 8.456)
  8. Yuanhang Ma, Dan Li, * He Zhang, Xiaona Feng, Chunjun Liang, First-principles study of the electronic structure and transport properties of armchair graphene nanoribbons with adsorbed super-halogen LiF2 and super-alkali Li3 clusters, Physics Letters A 384 (2020) 126569. (An3, IF=2.087)
  9. He Zhang, Dan Li,* Bin Liu, Yuanhang Ma, Wangzhe Zhou, Di Zhang, Hu Tang, Anqi Yang, and Chunjun Liang*, Influence of Functional Diamino Organic Cations on the Stability, Electronic Structure, and Carrier Transport Properties of Three-Dimensional Hybrid Halide Perovskite, J. Phys. Chem. C, 124(12) (2020) 6796-6810. (An2, IF=4.309)
  10. Naqash Ali, Chunjun Liang*, Chao Ji, Huimin Zhang, Mengjie Sun, Dan Li, Fangtian You, Zhiqun He, Enlarging crystal grains with ionic liquid to enhance the performance of perovskite solar cells, Organic Electronics, 84 (2020)105805. (An2, IF=3.495)
  11. Wangzhe Zhou, Dan Li*, Di Zhang, Hu Tang, He Zhang and Chunjun Liang*, Electronic and optial absorption properties of organic–inorganic perovskites as influenced by different long-chain diamine molecules: first principles, RSC Advances, 9 (2019) 14718–14726. DOI: 10.1039/c9ra03042e. (An3, IF=3.049)
  12. Yuanhang Ma, Dan Li*, Xiaona Feng, He Zhang, Chunjun Liang,Electronic structure and transport properties of bilayer graphene adsorbed by LiF2 super-halogen clusters and Li3O super-alkali clusters, J. Phys. D: Appl. Phys., 52 (2019)245302 (An3, IF=2.829)
  13. Dan Li*, Fulin Sun, Chunjun Liang, Zhiqun He ,Effective approach for reducing the migration of ions and improving the stability of organiceinorganic perovskite solar cells,Journal of Alloys and Compounds,741 (2018) 489-494.  (An2, IF=4.175)
  14. Yan Rui, Wu Ze-Wen, Xie Wen-Ze, Li Dan*, Wang Yin*, First-principles study on transport property of molecular device with non-collinear electrodes, Acta Physica Sinica, 67(9) (2018) 097301.   (An4)
  15. H. Zhang,J. Cheng,D. Li,F. Lin,J. Mao,C. Liang,A. K. Y. Jen,M. Gratzel,W. C. H. Choy ,Toward All Room-Temperature Solution-Processed, High-Performance Planar Perovskite Solar Cells: A New Scheme of Pyridine-Promoted Perovskite Formation,Advanced Materials,2017.1.27,1(1) (An1, IF=25.809). 
  16. H. Zhang,D. Li,J. Cheng,F. Lin,J. Mao,A. K. Y. Jen,M. Gratzel,W. C. H. Choy ,Room TemperatureFormation of Organic-Inorganic Lead Halide Perovskites: Design of Nanostructuredand Highly Reactive Intermediates,Journal of Materials Chemistry A,2017.1.3,5:3599-3608. (An1, IF:10.733, ESI)
  17. Jingjing Meng, Dan Li*, Yuan Niu, Hongmin Zhao, Chunjun Liang, Zhiqun He, Structural, electronic, and magnetic properties of 3D metal trioxide and tetraoxide superhalogen cluster-doped monolayer BN, Phys. Lett. A. 380 (2016) 2300–2306. (An3, IF=2.087)
  18. Xi Zhang, Dan Li*, Jingjing Meng, Rui Yan, Yuan Niu, Hongmin Zhao, Chunjun Liang, Zhiqun He, Electronic and magnetic properties of MnF3(4) superhalogen cluster-sandwiched bilayer graphene: First-principles calculations, Comput. Mater. Sci. 124 (2016) 316-322.  (An3, IF=2.644)
  19. Ji Wang, Dan Li*, Haijun Zhang, Yili Wang, Jingjing Meng, Yuan Niu, Hongmin Zhao, Chunjun Liang, First-principles study on electronic and magnetic properties of MnO3 superhalogen clusters-doped bilayer graphene, J. Phys. D: Appl. Phys. 48 (2015) 325002. (An3, IF=2.829)
  20. Dan Li, Chunjun Liang*, Huimin Zhang, Chunxiu Zhang, Fangtian You, Zhiqun He, Spatially separated charge densities of electrons and holes in organic-inorganic halide perovskites, J. Appl. Phys. 117 (2015) 074901-1-8. (An3, IF=2.328)
  21. Dan Li*, Jingjing Meng, Yuan Niu, Hongmin Zhao,Chunjun Liang*, Understanding the low-loss mechanism of general organic-inorganic perovskites from first-principles calculation, Chem. Phys. Lett. 627 (2015) 13-19. (An3, IF=1.901)
  22. Zhang, Huimin ,Lin, Hong,Liang, Chunjun,Liu, Hong,Liang, Jingjing,Zhao, Yong,Zhang, Wenguan,Sun, Mengjie,Xiao, Weikang,Li, Han,Polizzi, Stefano, Li, Dan,Zhang, Fujun,He, Zhiqun,Choy, Wallace C. H.,Organic-Inorganic Perovskite Light-Emitting Electrochemical Cells with a Large Capacitance,Advanced Functional Materials,2015.12.9,25(46):7226~7232. (An1, IF=15.621)
  23. Huimin Zhang, Chunjun Liang, Yong Zhao, Mengjie Sun, Hong Liu, Jingjing Liang, Dan Li, Fujun Zhang and Zhiqun He, Dynamic interface charge governing the current-voltage hysteresis in perovskite solar cells, Physical Chemistry Chemical Physics, 17 (2015) 9613-9618. (An2, IF=3.567)
  24. Yong Zhao, Chunjun Liang*, Huimin Zhang, Dan Li, Ding Tian, Guobao Li, Xiping Jing, Wenguan Zhang, Weikang Xiao, Qian Liu, Fujun Zhang, and Zhiqun He*, Anomalously large interface charge in polarityswitchable photovoltaic devices: an indication of mobile ions in organic–inorganic halide perovskites, Energy& Environmental Science, 8(4) (2015) 1256-1260. (An1, IF=33.250)
  25. Dan Li*, Chunlei Wang, Yuan Niu, Hongmin Zhao, Chunjun Liang, Structural and Electronic Properties of MnO3(4) Superhalogen Clusters Embedded in Graphene, Chem. Phys. Lett. 601 (2014) 16–20. (An3, IF=1.901)
  26. Dan Li*, Yuan Niu, Hongmin Zhao, Chunjun Liang, Zhiqun He, Electronic and Magnetic Properties of 3d-metal Trioxides Superhalogen Cluster-doped Monolayer MoS2: A first-principles study, Phys. Lett. A. 378 (2014) 1651–1656. (An3, IF=2.087)
  27. Chunlei Wang, Dan Li*, Yuan Niu, Hongmin Zhao, Chunjun Liang Electronic And Magnetic Properties of F Atoms Adsorbed on TiO2:Mn (001) Diluted Magnetic Semiconductor Surfaces: First-Principles Calculations, International Journal of Modern Physics B. 28(18) (2014) 1450096. (An4, IF=0.863)
  28. Li Xiangran, Li Dan*, Wang Chunlei, Niu Yuan, Zhao Hongmin, Liang Chunjun, Electronic and magnetic properties of F atoms adsorbed TiO2:Mn (001) diluted magnetic semiconductor thin film: First-principles calculations.  Chinese Journal of Computational Physics, 31 (2014) 96-102. (An5)
  29. Yong Zhao,Chunjun Liang ,Mengjie Sun,Qian Liu,Fujun Zhang,Dan Li,Zhiqun He,Effect of doping on the short-circuit current and open-circuit voltage of polymer solar cells,Journal of Applied Physics,2014.10.21,116(15). (An3, IF=2.328)
  30. Wang, Mingyang,Zhang, Xinghua,Chen, Yunlin,Li, Dan,How Guest Molecules Stabilize the Narrow Pore Phase of Soft Porous Crystals: Structural and Mechanical Properties of MIL-53(Al)superset of H2O,Journal of Physical Chemistry C,2016.3.10,120(9):5059~5066. (An2, IF=4.309)
  31. Chunjun Liang,Yongsheng Wang,Dan Li,Xingchen Ji,Fujun Zhang,Zhiqun He,Modeling and simulation of bulk heterojunction polymer solar cells,Solar Energy Materials and Solar Cells,2014.8.01,127:67~86. (An1, IF=6.019)
  32. Xiwen Liu, Dan Li,Bobo Wang,Bin Liu,Famin Chen,Guangri Jin,Yanwu Lu,Graphene induced remote surface scattering in graphene/AlGaN/GaN heterostructures,Applied Physics Letters,2014.10.20,105(16). (An2, IF=3.521)
  33. Liu Qian,He Zhi-Qun,Liang Chun-Jun,Zhao Yong,Xiao Wei-Kang,Li Dan,Effect of Crystallinity of Fullerene Derivatives on Doping Density in the Organic Bulk Heterojunction Layer in Polymer Solar Cells,Chinese Physics Letters,2015.5.01,32(5). (An3, IF=1.066)
  34. Song Dewang, Niu Yuan*, Xiao Liou, Li Dan, First-principles Study of Structural, Electronic, and Magnetic Properties of Mn-Doped ZnS (111) Surfaces. Chinese Journal of Computational Physics, 30 (2013) 783-790. (An5)
  35. Song Dewang, Niu Yuan*, Xiao Liou, Li Dan, Structural, Electronic, and Magnetic Properties of Mn-doped ZnS (110) Surface: First-principles Study.  Chinese Journal of Computational Physics, 29 (2012) 277-284. (An5)
  36. Dan Li*,Lei Li,Chun-jun Liang,Yuan Niu, Energy Stabilities, Magnetic Properties, and Electronic Structures of Diluted Magnetic Semiconductor Zn1-xMnxS (001) Thin Films. Chinese Journal of Chemical Physics, 24 (2011) 47-54.   (An4, IF=0.692)
  37. Electronic Properties of Mn Doping ZnS (001) Surfaces. Li Lei, Li Dan*, Liu Shiyong, Zhao Yi, Chinese Journal of Computational Physics, 27 (2010) 293-298. (An5)
  38. Guangri Jin,Xiaowei Wang, Dan Li, Yanwu Lv. Atom-number squeezing and bipartite entanglement of two-component Bose–Einstein condensates: analytical results[J]。J. Phys. B: At. Mol. Opt. Phys.,2010-12,43(4),(An3)
  39. Yinhao Gao,Chunjun Liang, Aiwei Tang, Dan Li, Zhenbo Deng, Shihua Huang. Electroluminescence of cadmium selenium nanocrystals synthesized in aqueous solution[J]。Journal of luminescence,2007-12,122-123,(An3, IF=2.961)
  40. Dan Li,Chunjun Liang,Ye Liu,Shixiong Qian,Femtosecond nonlinear optical properities of PbS nanoparticles,Journal of Luminescence,2007.1.01,122–123:549~551. (An3, IF=2.961)
  41. Aiwei Tang,Feng Teng, Yinhao Gao, Dan Li, Shuling Zhao, Chunjun Liang, Yongsheng Wang. White light emission from organic–inorganic hererostructure devices by using CdSe quantum dots as emitting layer。Journal of luminescence,2007-15,122-123,(An3, IF=2.961)
  42. Dan Li,Heqing Yang, Chunjun Liang, Shixiong Qiang. Ultrafast dynamics and optical nonlinearity of InP nanoparticles. Spectroscopy and Spectral Analysis. 2006-12,26(9),
  43. Dan Li,Chunjun Liang, Shixiong Qian. The femtosecond nonlinear optical properties of PdS nanoparticle composite sol gel films]. Journal of luminescence, 2006-12,27(4),
  44. Dan Li, Hongmei Liu,Chunjun Liang. The excited state transient dynamics of PDS nanoparticles was studied by femtosecond pump detection technology. Journal of luminescence, 2006-12,27(4),
  45. Dan Li,Ye Liu,Heqing Yang,Shixiong Qian ,Femtosecond nonlinear optical properties of carbon nanoparticles,Applied Physics Letters,2002.7.16,81(11):2088-2090. (An2, IF=3.521)
  46. Li Dan,Ma Guohong,Huang Weimin,Qian Shixiong ,Optical Property of CdS Nanocrystals in ZrO2 Thin Film,Acta Optica Sinica,2002.6.01,22(6):688-691. (An4)
  47. Li Dan,Lu Shaozhe,Wang Haiyu,Chen baojiu,Concentration Quenching of Tb3+ Emissions in Y2O2S Nanocrystals,Chinese Journal of Luminescence,2001.9.01,22(3):227-231
  48. Li Dan,Lu Shaozhe,Zhang Jisen,Liu Junye,Wang Haiyu,Size Confinement and Surface State Effect of Eu3+:Y2O3 Nanocrystals,Chinese Journal of Luminescence,2000.6.01,21(2):134-138.
  49. Li Dan,Liu Junye,Meng Jiwu,Dou Kai,Luminescence Decay of Copper Doped Zinc Sulphide Nanocrystallites,Chinese Journal of Luminescence,1998.3.01,19(1):85-88
  50. Li Dan,Guo Xingbatu,Liu junye,lu Shaozhe,Dou Kai,Xu Wu,Meng Jiwu,Yu Jiaqi,The Study on Time-resolved Emission Spectra for the Luminescence of ZnSCu nanocrystals/PVA films,Chinese Journal of Luminescence,1998.12.01,19(4):322-327.
  51. Li Dan,Sun lingdong,Dou Kai,Liu Junye,Yu Jiaqi,ZnSMn2+ nanocrystals dispersed within PVB polymer matix-processing and optical characteristics,Chinese Journal of Luminescence,1997.3.01,18(1):78-80