研究兴趣

量子-经典混合动力学；凝聚相材料激发态电荷和自旋动力学

招生信息

每年招收博士生2名，硕士生1-2名

获奖信息

• 爱尔兰国家自然科学基金优秀青年基金, 2012-2016
• 玛丽居里国际交流奖学金，2010-2013
• 爱尔兰工程科学与技术研究基金会政府奖学金，2008-2010
• 山东大学优秀博士论文，2009

科研基金

• 国家自然科学基金 [21573006(2016-2019); 51861135101(2018-2021); 21973006(2020-2023)]
• 北京市自然科学基金 [2212031(2020-2023)]

代表性论文

1. Structural Disorder in Higher-Temperature Phases Increases Charge Carrier Lifetimes in Metal Halide Perovskites, J. Am. Chem. Soc. 2022, 144, 19137-19149.
2. Suppressing Oxygen-Induced Deterioration of Metal Halide Perovskites by Alkaline Earth Metal Doping: A Quantum Dynamics Study, J. Am. Chem. Soc. 2022, 144, 5543-5551.
3. Photoinduced Small Electron Polarons Generation and Recombination in Hematite, NPJ Comput. Mater. Sci. 2022, 8, 148.
4. Elimination of Charge Recombination Centers in Metal Halide Perovskites by Strain, J. Am. Chem. Soc. 2021, 143, 9982-9990.
5. Jinlu He, Wei-Hai Fang, Run Long* et al., Bidentate Lewis Bases Are Preferred for Passivation of MAPbI₃ Surfaces: A Time-Domain Ab Initio Analysis, Nano Energy 2021, 79, 105491.
6. Lu Qiao, Wei-Hai Fang, Run Long*, The Interplay Between Lead Vacancy and Water Rationalizes the Puzzle of Charge Carrier Lifetimes in CH₃NH₃PbI₃: Time‐Domain Ab Initio Analysis, Angew. Chem. Int. Ed. 2020, 59, 13347 –13353.
7. Lu Qiao, Wei-Hai Fang, Run Long* et al., Extending Carrier Lifetimes in Lead Halide Perovskites with Alkali Metals by Passivating and Eliminating Halide Interstitial Defects, Angew. Chem. Int. Ed. 2020, 59, 4684-46904.
8. Jinlu He, Wei-Hai Fang, Run Long* et al., Why Oxygen Increases Carrier Lifetimes but Accelerates Degradation of CH₃NH₃PbI₃ under Light Irradiation: Time-Domain Ab Initio Analysis, J. Am. Chem. Soc. 2020, 142, 14464-14673.
9. Jinlu He, Wei-Hai Fang, Run Long* et al., Superoxide/peroxide chemistry extends charge carriers’ lifetime but undermines chemical stability of CH₃NH₃PbI₃ exposed to oxygen: time-domain ab initio analysis, J. Am. Chem. Soc. 2019, 141, 5798-5807.
10. Zhaosheng Zhang, Wei-Hai Fang, Run Long* et al., Exciton Dissociation and Suppressed Charge Recombination at 2D Perovskite Edges: Key Roles of Unsaturated Halide Bonds and Thermal Disorder, J. Am. Chem. Soc. 2019, 141, 15557-15566.
11. Zhaosheng Zhang, Lihong Liu, Weihai Fang, Run Long* et al., Plasmon-Mediated Electron Injection from Au Nanorods into MoS₂: Traditional versus Photoexcitation Mechanism, Chem 2018, 4, 11112-11127.
12. Zhaosheng Zhang, Weihai Fang, Run Long* et al., Rapid Decoherence Suppresses Charge Recombination in Multi-Layer 2D Halide Perovskites: Time-Domain Ab Initio Analysis, Nano Lett. 2018, 18, 2459-2466.
13. Yaqing Wei, Linqiu Li, Weihai Fang, Run Long* et al., Weak Donor−Acceptor Interaction and Interface Polarization Define Photoexcitation Dynamics in the MoS₂/TiO₂ Composite: Time- Domain Ab Initio Simulation, Nano Lett. 2017, 17, 4038-4046.
14. Zhaosheng Zhang, Run Long* et al., Interplay between Localized and Free Charge Carriers Can Explain Hot Fluorescence in the CH₃NH₃PbBr₃ Perovskite: Time-Domain Ab Initio Analysis, J. Am. Chem. Soc. 2017, 139, 17327-17333.
15. Run Long, et al., Nonadiabatic Charge Dynamics in Novel Solar Cell Materials, WIREs Comput. Mol. Sci. 2017, 7, 1-29. (invited Review)
16. Run Long*, et al., Donor-Acceptor Interaction Determines the Mechanism of Photoinduced Electron Injection from Graphene Quantum Dots into TiO2: π-Stacking Supersedes Covalent Bonding，J. Am. Chem. Soc. 2017, 39, 2619-2629.
17. Run Long*, et al., Unravelling the Effects of Grain Boundary and Chemical Doping on Electron−Hole Recombination in CH3NH3PbI3 Perovskite by Time-Domain Atomistic Simulation, J. Am. Chem. Soc. 2016, 138, 3884-3890.(chosen to JACS spotlight)
18. Run Long*, et al., Quantum Coherence Facilitates Efficient Charge Separation at a MoS2/MoSe2 van der Waals Junction，Nano Lett. 2016, 16, 1996-2003.
19. Run Long*, et al. Dopants Control Electron-Hole Recombination at Perovskite-TiO2 Interfaces: Ab Initio Time-Domain Study. ACS Nano，2015, 9, 11143-11155.
20. Run Long, et al., Time-Domain Ab Initio Analysis of Excitation Dynamics in a Quantum Dot/Polymer Hybrid: Atomistic Description Rationalizes Experiments. Nano Lett. 2015, 15, 4274-4281.
21.  Run Long, et al., Instantaneous Generation of Charge-Separated State on TiO2 Surface Sensitized with Plasmonic Nanoparticles, J. Am Chem. Soc. 2014, 136, 4343-4354.
22. Run Long, et al., Prezhdo, Asymmetry in the Electron and Hole Transfer at a Polymer-Carbon Nanotube Heterojunction. Nano. Lett. 2014, 14, 3335-3341.
23. Run Long, et al., Defects Are Needed for Fast Photo-Induced Electron Transfer from a Nanocrystal to a Molecule: Time-Domain Ab Initio Analysis. J. Am. Chem. Soc. 2013, 135, 18892-18900.
24. Run Long, et al., Photo-Induced Charge Separation across the Graphene-TiO2 Interface Occurs Faster than Energy Losses: a Time-Domain Ab Initio Analysis. J. Am. Chem. Soc. 2012, 134, 14238-14248. (chosen to JACS spotlight)
25. Run Long, et al., Ab Initio Nonadiabatic Molecular Dynamics of the Ultrafast Electron Injection from a PbSe Quantum Dot into the TiO2 Surface，J. Am. Chem. Soc. 2011, 133, 19240-19249.