李浩源 教授/博导

邮箱：lihaoyuan@shu.edu.cn

导师介绍：

主要从事材料多尺度模拟工作，探索机器学习方法在材料研究中的应用，进行计算软件开发。在Journal of the American Chemical Society、Energy & Environmental Science、Advanced Functional Materials等期刊上发表论文40余篇，研究成果被Advanced Science News等新闻媒体选为亮点工作报导。入选上海市青年科技“启明星”计划，Journal of Materials Chemistry C 2022年度新锐科学家。

主要研究手段：分子模拟、机器学习

主要研究内容：有机微电子材料和半导体制造工艺、纳米多孔材料的形成过程及其特性、固体中的离子和分子输运机制

招收下列人员：

1. 对理论工作感兴趣或具有程序语言基础的硕士研究生。

2. 具有计算模拟背景的博士研究生。

3. 已取得较好理论成果的博士后。

4. 科研助理。

教育背景：

2015年博士毕业于清华大学

2010年本科毕业于吉林大学

工作经历：

2020年11月–至今 上海大学 特聘教授

2020年1月–2020年10月 亚利桑那大学 研究科学家

2019年6月–2020年1月 佐治亚理工学院 研究科学家

2017年2月–2019年5月 佐治亚理工学院 博士后

2015年8月–2016年12月 阿卜杜拉国王科技大学 博士后

代表性论文：

(1) Du, K.; Xiong, L.; Fu, C.; Ni, X.*; Bredas, J.-L.*; Li, H.* Impact of Structural Defects on the Electronic Properties of Two-Dimensional Covalent Organic Frameworks. ACS Mater. Lett. 2024, 6 (2), 335–344.

(2) Pelkowski, C. E.; Natraj, A.; Malliakas, C. D.; Burke, D. W.; Bardot, M. I.; Wang, Z.; Li, H.*; Dichtel, W. R.* Tuning Crystallinity and Stacking of Two-Dimensional Covalent Organic Frameworks through Side-Chain Interactions. J. Am. Chem. Soc. 2023, 145 (40), 21798–21806.

(3) Zhang, H.; Geng, Y.; Huang, J.; Wang, Z.; Du, K.; Li, H.* Charge and Mass Transport Mechanisms in Two-Dimensional Covalent Organic Frameworks (2D COFs) for Electrochemical Energy Storage Devices. Energy Environ. Sci. 2023, 16 (3), 889–951.

(4) Zhang, H.; Li, H.* Lithium-Ion Distribution and Motion in Two-Dimensional Covalent Organic Frameworks: The Example of TAPB-PDA COF. J. Mater. Chem. C 2022, 10 (37), 13834–13843.

(5) Li, H.; Brédas, J.-L.* Impact of Structural Defects on the Elastic Properties of Two-Dimensional Covalent Organic Frameworks (2D COFs) under Tensile Stress. Chem. Mater. 2021, 33 (12), 4529–4540.

(6) Li, H.; Evans, A. M.; Dichtel, W. R.; Bredas, J.-L.* Quantitative Description of the Lateral Growth of Two-Dimensional Covalent Organic Frameworks Reveals Self-Templation Effects. ACS Mater. Lett. 2021, 3 (4), 398–405.

(7) Li, H.; Brédas, J.-L.* Developing Molecular-Level Models for Organic Field-Effect Transistors. Natl. Sci. Rev. 2021, 8 (4), nwaa167.

(8) Li, H.; Sini, G.; Sit, J.; Moulé, A. J.; Bredas, J.-L.* Understanding Charge Transport in Donor/Acceptor Blends from Large-Scale Device Simulations Based on Experimental Film Morphologies. Energy Environ. Sci. 2020, 13 (2), 601–615.

(9) Li, H.; Evans, A. M.; Castano, I.; Strauss, M. J.; Dichtel, W. R.; Bredas, J.-L.* Nucleation–Elongation Dynamics of Two-Dimensional Covalent Organic Frameworks. J. Am. Chem. Soc. 2020, 142 (3), 1367–1374.

(10) Li, H.; Brédas, J.-L.* Nanoscrolls Formed from Two-Dimensional Covalent Organic Frameworks. Chem. Mater. 2019, 31 (9), 3265–3273.

(11) Li, H.; Brédas, J.-L.* Large Out-of-Plane Deformations of Two-Dimensional Covalent Organic Framework (COF) Sheets. J. Phys. Chem. Lett. 2018, 9 (15), 4215–4220.

(12) Li, H.; Bredas, J.* Modeling of Actual‐Size Organic Electronic Devices from Efficient Molecular‐Scale Simulations. Adv. Funct. Mater. 2018, 28 (29), 1801460.

(13) Li, H.; Tessler, N.; Brédas, J.-L.* Assessment of the Factors Influencing Charge-Carrier Mobility Measurements in Organic Field-Effect Transistors. Adv. Funct. Mater. 2018, 28 (39), 1803096.

(14) Li, H.; Brédas, J.-L.* Quasi-One-Dimensional Charge Transport Can Lead to Nonlinear Current Characteristics in Organic Field-Effect Transistors. J. Phys. Chem. Lett. 2018, 9 (22), 6550–6555.

(15) Li, H.; Brédas, J.-L.* Kinetic Monte Carlo Modeling of Charge Carriers in Organic Electronic Devices: Suppression of the Self-Interaction Error. J. Phys. Chem. Lett. 2017, 8 (11), 2507–2512.

(16) Li, H.; Li, Y.; Li, H.; Brédas, J.-L.* Organic Field‐Effect Transistors: A 3D Kinetic Monte Carlo Simulation of the Current Characteristics in Micrometer‐Sized Devices. Adv. Funct. Mater. 2017, 27 (9), 1605715.

(17) Li, H.; Chavez, A. D.; Li, H.; Li, H.; Dichtel, W. R.*; Bredas, J.-L.* Nucleation and Growth of Covalent Organic Frameworks from Solution: The Example of COF-5. J. Am. Chem. Soc. 2017, 139 (45), 16310–16318.