副研究员 

　　Office: 科研楼205 

　　Phone: +86-10-82545701 

　　Email: zhuly@nanoctr.cn 

　　Researcher ID: C-5812-2014 

　　研究兴趣：有机光电功能材料的理论模拟 

   个人简介：

　　1997.09 - 2001.06         山东师范大学，应用化学专业，学士 

　　2001.09 - 2004.06         山东师范大学，物理化学专业，硕士 

　　 中科院化学所联合培养 导师：帅志刚和陈德展教授 

　　2005.09 - 2008.06         中科院化学所，物理化学专业，博士 导师：帅志刚教授 

　　2008.08 - 2012.11         美国佐治亚理工学院化学系，博士后  

                            合作导师：Jean-Luc Brédas 教授　　

    2013.04 - 至今               国家纳米科学中心，副研究员 

   研究领域：

• 有机光伏电子过程的理论模拟 
• 有机半导体电荷传输性质的理论研究 

     代表论著：

　　1.Z. Wang, X. W. Zhu, J. Q. Zhang, K. Lu*, J. Fang, Y. J. Zhang, Z. Y. Wang, L. Y. Zhu,* W. Ma*, Z. G. Shuai, and Z. X. Wei*, From Alloy-Like to Cascade Blended Structure: Designing High-Performance All-Small-Molecule Ternary Solar Cells, J. Am. Chem. Soc. 2018, 140, 1549. 

　　2.L. Y. Zhu,* Y. P. Yi*, Z. X. Wei,  Exciton Binding Energies of Nonfullerene Small Molecule Acceptors: Implication for Exciton Dissociation Driving Forces in Organic Solar Cells, J. Phys. Chem. C 2018, 122, 22309. 

　　3.Z. Wang,^# G. C. Han, ^# L. Y. Zhu,* Y. Guo, Y. P. Yi*, Z. G. Shuai and Z. X. Wei, Suppressing Charge Recombination in Small-molecule Ternary Organic Solar Cells by Modulating Donor-acceptor Interfacial Arrangements, Phys. Chem. Chem. Phys. 2018, 20, 24570. 

　　4.L. Y. Zhu,* H. Geng, Y. P. Yi*, Z. X. Wei, Charge Transport in organic donor-acceptor mixed-stack crystals: the role of nonlocal electron-phonon couplings, Phys. Chem. Chem. Phys. 2017, 19, 4418. 

　　5.Z. Wang, L. Y. Zhu^*, Z. G. Shuai, and Z. X. Wei*, A-pi-D-pi-A Electron-Donating Small Molecules for Solution-Processed Organic Solar Cells: A Review, Marcromol. Rapid Comm. 2017, 38, 1700470. 

　　6.X. T. Liu, Z. J. Huang, Y. W. Huang*, L. Y. Zhu^*, and J. Y. Fu*, Tunable Supramolecular Helical Aggregate and Optoelectrical Properties of Perylene Diimides by Stereoisomesrism of Sugar, J. Phys. Chem. C, 2017, 121, 7558. 

　　7.G. F. Liu^#, L. Y. Zhu^#, W. Ji, C. L. Feng*, and Z. X. Wei, Inversion of the Supramolecular Chirality of Nanofibrous Structures through Co-Assembly with Achiral Molecules, Angew. Chem. Int. Ed. 2016, 55, 2411. 

　　8.Z. A. Ghazi^#, L. Y. Zhu^#, H. Wang, A. Naeem, A. M. Khattak, D. W. Wang, J. Guo, Z. X. Wei, L. S. Li*, and Z. Y. Tang*, Efficient Polysulfide Chemisorption in Covalent Organic Frameworks for High-Perfomance Lithium-Sulfur Batteries, Adv. Energy Mater. 2016, 1601250. 

　　9.L. Yuan, K. Lu,* B. Z. Xia, J. Q. Zhang, Z. Wang, Z. Y. Wang, D. Deng, J. Fang, L. Y. Zhu,* and Z. X. Wei*, Acceptor End-Capped Oligomeric Conjugated Molecules with Broadened Absorption and Enhanced Extincition Coefficients for High-Efficiency Organic Solar Cells, Adv. Mater. 2016, 28, 5980. 

　　10.H. P. Wu,^# Q. Yang, ^#, Q. H. Meng, A. Ahamad, M. Zhang, L. Y. Zhu*, Y. G. Liu*, and Z. X. Wei*, A polyimide derivative containing different carbonyl groups for flexible lithium ion batteries J. Mater. Chem. A, 2016, 4, 2115. 

　　11.Q. Guo, J. C. Wang, L. Y. Zhu*, and Z. X. Wei*, Modulating the Helicity of Sugar-Substituted Perylene Diimide Self-assemblies by Solvent Polarilitities, Chin. J. Chem., 2015, 33, 95-100. 

　　12.L. Y. Zhu, Y. P. Yi, A. Fonari, N. S. Corbin, V. Coropceanu*, and J. L. Brédas*, Electronic Properties of Mixed-stack Organic Charge-Transfer Crystals J. Phys. Chem. C 2014, 118, 14150. 

　　13.Y. W. Huang*, J. C. Wang, H. Y. Zhai, L. Y. Zhu*, and Z. X. Wei*, Helical supramolecular aggregates of sugar-based perylene dyes: the effect of core-substituted group, Soft Matter, 2014, 10, 7920. 

　　14.H. Yan, L. Y. Zhu*, D. H. Li, Y. J. Zhang, Y. P. Yi, Z. X. Wei*, Y. L. Yang, and J. L. Brédas, Rationalization of the Selectivity in the Optimization of Processing Conditions for High-Performance Polymer Solar Cells Based on the Polymer Self-Assembly Ability, J. Phys. Chem. C, 2014, 118, 29473. 

　　15.L. Y. Zhu, V. Coropceanu, Y. Yi, B. Chilukuri, T. R. Cundari and J.L. Brédas*, Electronic and Charge-Transport Properties of the Au₃(CH₃N=COCH3)₃   Crystal: A Density Functional Theory Study, J. Phys. Chem. Lett. 2013, 4, 2186. 

　　16.L. Y. Zhu, Y. Yi, Y. Li, E. G. Kim, V. Coropceanu*, J. L. Brédas*, Prediction of Remarkable Ambipolar Charge-Transport Characteristics in Organic Mixed-Stack Charge-Transfer Crystals, J. Am. Chem. Soc. 2012, 134, 2340.  

　　17.L. Y. Zhu, E. G. Kim*, Y. Yi and J. L. Brédas*, Charge Transfer in Molecular Complexes with 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4-TCNQ): A Density Functional Theory Study, Chem. Mater. 2011, 23, 5149. 

　　18.L. Y. Zhu, E. G. Kim, Y. Yi, E. Ahmad, S. A. Jenekhe, V. Coropceanu*, J. L. Brédas*, Charge-transport properties of the tetraphenylbis(indolo[1,2-a])quinoline and 5,7-Diphenylindolo[1,2-a]quinoline Crystals, J. Phys. Chem. C, 2010, 114, 20401.  

　　19.L. Y. Zhu, Y. Yi, L. P. Chen, Z. G. Shuai*, Exciton binding energy of electronic polymers: a first principle study, J. Theo. Comput. Chem. 2008, 7, 517. 

　　20.L. Y. Zhu, Y. Yi, Z. Shuai*, K. Schmidt, E. Zojer, Structure to Property Relationships for Multi-photon Absorption in Covalently Linked Porphyrin Dimers: A Correction Vector INDO/MRDCI Study, J. Phys. Chem. C A, 2007, 111, 8509.  

　　21.L. Y. Zhu, Y. Yi, Z. Shuai*, J. L. Brédas, D. Beljonne, and E. Zojer*, Structure-property relationships for three-photon absorption in stilbene-based dipolar and quadrupolar chromophores, J. Chem. Phys. 2006, 125, 044101. 

　　22.L. Y. Zhu, Y. Yi, Z. Shuai*, Multi-photon absorption cross sections calculated by couple-cluster equation of motion method, J. Mol. Sci., 2005, 21, 1 (in Chinese). 

　　23.L. Y. Zhu, X. Yang, Y. Yi, P. F. Xuan, Z. Shuai*, D. Z. Chen, E. Zojer, J. L. Brédas*, and D. Beljonne, Three-photon absorption in anthracene-porphyrin-anthracene triads: A quantum-chemical study, J. Chem. Phys. 2004, 121, 11060. 

　　承担科研项目情况： 

　　作为负责人主持国家自然科学基金面上项目两项。