基本情况

郑子龙，博士，2006年本科毕业于中国科学技术大学化学物理系，并于2012年在同校同专业取得博士学位。2013年在美国肯特州立大学,从事溶液中电荷转移态的理论计算；并于2014至2018年转至美国佐治亚理工学院Jean-Luc Bredas课题组，从事博士后科研工作。利用分子动力学结合第一性原理方法，从事有机太阳能薄膜电池、有机发光材料的设计模拟。开发了新的密度泛函函数（介电常数长程相关密度泛函），实现了快速、准确预测电荷转移态的能级及其分布，形成了多篇J. Phys. Chem. Lett.等系列成果；提出了激子-电荷转移态简并的非富勒烯新型有源层材料，解决了有机光伏电池开路电压损耗过高的瓶颈问题；发现激子非局域特性可以加速形成电荷转移态生成，揭示了极化的高分子激发态促进光生载流子的形成机制，是设计高性能有机光电器件的重要依据。2018年底归国，在北京工业大学材料科学与工学院任职教授，从事高性能有机、无机、有机-无机杂化光伏、电光材料的理论研究。至今在国际一流学术刊物发表文章近20篇，包括Nature Mater.；J. Am. Chem. Soc.；Adv. Mater.；Adv. Energy Mater.；Adv. Funct. Mater.；J. Phys. Chem. Lett.；Chem. Mater.；ACS Appl. Mater. Interfaces等。

代表作

[1]Charge-Transfer States at Organic–Organic Interfaces: Impact of Static and DynamicDisorders

Adv. Energy Mater.2019, 1803926

Zilong Zheng, NagaRajesh Tummala, Tonghui Wang, Veaceslav Coropceanu, and Jean-Luc Brédas

[2] New designrules for minimizing voltage losses in high-efficiency organic photovoltaics

Nature Materials 17, 703–709 (2018)

D. Qian,Zilong Zheng, X. Liu, W. Tress, S. Chen, H. Yao, J. Liu,T. Hopper, S. Li, B.i Gao, L.Ouyang, Y. Jin, G. Pozina, I.Buyanova, W. Chen, O.Inganäs, V. Coropceanu, Jean-Luc Bredas, H. Yan, J.Hou, F. Zhang, A. Bakulin,and F. Gao

[3] Effect ofSolid-State Polarization on Charge-Transfer Excitations and Transport Levels atOrganic Interfaces from a Screened Range-Separated Hybrid Functional”

J. Phys. Chem. Lett.,2017, 8 (14), pp 3277–3283

Zilong Zheng, D. Egger, Jean-Luc Brédas, Leeor Kronik,and V. Coropceanu

[4]Charge-TransferStates in Organic Solar Cells: Understanding the Impact of Polarization,Delocalization, and Disorder”

ACS Appl. Mater. Interfaces,2017, 9 (21), pp 18095–18102

Zilong Zheng, N. Tummala, Y. Fu, V. Coropceanu, andJean-Luc Brédas

[5] “Descriptionof the Charge Transfer States at the Pentacene/C₆₀Interface:Combining Range-Separated Hybrid Functionals with the Polarizable ContinuumModel”

J. Phys. Chem. Lett.,2016, 7 (13), pp 2616–2621

Zilong Zheng, Jean-Luc Brédas, and V. Coropceanu

[6] MolecularStructure, Spectroscopy, and Photoinduced Kinetics in Trinuclear CyanideBridged Complex in Solution: A First-Principles Perspective

J. Am. Chem. Soc.,2014,136 (49), pp 16954–16957

Zilong Zheng, A. Manna, H. Hendrickson, M. Hammer, C.Song, E. Geva, and B. Dunietz