个人简历
姓名：李全松
职称：教授，博士生导师籍贯：山东省青岛市
出生年月：1978 年 9 月研究领域：计算光化学
电子邮件：liquansong@bit.edu.cn
教育和工作经历:
2018/07 – 至今 北京理工大学，化学与化工学院，教授
2013/02 – 2018/06 北京理工大学，化学与化工学院，副教授
2008/05 – 2012/12 西班牙赫罗纳大学，计算和催化化学研究所，博士后
（合作导师：Lluis Blancafort） 2006/07 – 2008/02 香港城市大学，物理和材料系，博士后
（合作导师：张瑞勤）
2001/09 – 2006/07 北京师范大学，化学学院，博士（导师：方维海）
1997/09 – 2001/07 北京师范大学，化学系，学士
研究方向：
光化学反应机理和光电功能材料的理论研究
运用从头算方法和动力学模拟，研究激发态的性质和光化学反应的微观机理。探索太阳能电池中组件结构和性能的关系，设计高效、稳定、环保的新材料。
承担课题：
主持两项国家自然科学基金项目、一项教育部博士点基金。参与一项国家自然科学基金项目。
近几年 20 篇代表性论文：
Zhu, R.; Li, Q. S.*; Li, Z. S.* Nitrogen substitution improves the mobility and stability of electron transport materials for inverted perovskite solar cells. Nanoscale 2018, 10, 17873.
Mellerup, S. K.; Li, C.; Radtke, J.; Wang, X.; Li, Q. S.*; Wang, S.* Photochemical Generation of Chiral N,B,X‐Heterocycles by Heteroaromatic C?X Bond Scission (X=S, O) and Boron Insertion. Angewandte Chemie-International Edition 2018, 57, 9634.
Wang, S.*; Yuan, K.; Hu, M. F.; Wang, X.; Peng, T.; Wang, N.*; Li, Q. S.*; Cleavage of Unstrained C-C Bonds in Acenes by Boron and Light: Transformation of Naphthalene into Benzoborepin. Angewandte Chemie-International Edition 2018, 57, 1073.
Wang, Y. L.; Li, Q. S.*; Li, Z. S.* Effect of π-bridge units on properties of A-π-D-π
-A-type nonfullerene acceptors for organic solar cells. Physical Chemistry Chemical Physics 2018, 20, 14200.
Peng, X. L.; Migani, A.; Li, Q. S.*; Li, Z. S.*; Blancafort, L.* Theoretical study of non-Hammett vs. Hammett behaviour in the thermolysis and photolysis of arylchlorodiazirines. Physical Chemistry Chemical Physics 2018, 20, 1181.
Peng, X. L.; Ding, W. L.; Li, Q. S.*; Li, Z. S.* Theoretical insights into photo-induced Curtius rearrangement of chlorodifluoroacetyl azide. Organic Chemistry Frontiers 2017, 4, 1153.
Wang, Y. L.; Li, Q. S.*; Li, Z. S.* Novel benzodithiophene-based polymer acceptors for efficient organic solar cells. Physical Chemistry Chemical Physics 2017, 19, 23444.
Yang, D. T.; Mellerup, S. K.; Peng, J. B.; Wang, X.; Li, Q. S.*; Wang, S. N.* Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage. Journal of the American Chemical Society 2016, 138, 11513.
Chi, W. J.; Li, Q. S.*; Li, Z. S.* Exploring the electrochemical properties of hole transport materials with spiro-cores for efficient perovskite solar cells from first-principles. Nanoscale 2016, 8, 6146.
Sun, P. P.; Li, Q. S.*; Yang, L. N.; Li, Z. S.* Theoretical insights into a potential lead-free hybrid perovskite: substituting Pb2+ with Ge2+. Nanoscale 2016, 8, 1503.
Peng, X. L.; Ruiz-Barragan, S.; Li, Z. S.; Li, Q. S.*; Blancafort, L.* Restricted access to a conical intersection to explain aggregation induced emission in dimethyl tetraphenylsilole. Journal of Materials Chemistry C 2016, 4, 2802.
Li, Q. S.; Giussani, A.; Segarra-Marti, J.; Nenov, A.; Rivalta, I.; Voityuk, A. A.; Mukamel, S.; Roca-Sanjuan, D.; Garavelli, M.*; Blancafort, L.* Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate. Chemistry-a European Journal 2016, 22, 7497.
Li, Q. S.; Mennucci, B.; Robb, M. A.; Blancafort, L.* ; Curutchet, C.* Polarizable QM/MM Multiconfiguration Self-Consistent Field Approach with State-Specific Corrections: Environment Effects on Cytosine Absorption Spectrum. Journal of
Chemical Theory and Computation 2015, 4, 1674.
McDonald, S. M.; Mellerup, S. K.; Peng, J. B.; Yang, D. T. ; Li, Q. S.* ; Wang, S. N.* Thermal and Photolytic Transformation of NHC-B,N-Heterocycles: Controlled Generation of Blue Fluorescent 1,3-Azaborinine Derivatives and 1H-Imidazo[1,2-a]indoles by External Stimuli Chemistry-a European Journal 2015, 40, 13961.
Ding, W. L.; Li, Q. S.*; Li, Z. S.* Anti-aggregation and intra-type Forster resonance energy transfer in bulky indoline sensitizers for dyesensitized solar cells: a combined DFT/TDDFT and molecular dynamics study. Journal of Materials Chemistry A 2015, 39, 19948.
Feng, S. ; Li, Q. S.*; Sun, P. P. ; Niehaus, T. A.; Li, Z. S. Dynamic Characteristics of Aggregation Effects of Organic Dyes in Dye-Sensitized Solar Cells. ACS Applied Materials & Interfaces 2015, 40, 22504.
Chi, W. J.; Li, Q. S.*; Li, Z. S.* Effects of Molecular Configuration on Charge Diffusion Kinetics within Hole-Transporting Materials for Perovskites Solar Cells. Journal of Physical Chemistry C 2015, 16, 8584.
Sun, Z. Z.; Li, Q. S.*; Zhang, M.; Li, Z. S.* Exploring the regeneration process of ruthenium(II) dyes by cobalt mediator in dye-sensitized solar cells from first-principle calculations. Journal of Power Sources 2015, 294, 264.
Sun, Z. Z.; Li, Q. S.*; Sun, P. P.; Li, Z. S.* Probing the regeneration process of triphenylamine-based organic dyes in dye-sensitized solar cells. Journal of Power Sources 2015, 276, 230.
Feng, S.; Li, Q. S.*; Yang, L. N.; Sun, Z. Z.; Niehaus, T. A.; Li, Z. S.* Insights into aggregation effects on optical property and electronic coupling of organic dyes in dye sensitized solar cells. Journal of Power Sources 2015, 273, 282.
