耿华,女，首都师范大学副教授，中科院化学所获博士学位，曾公派到美国佐治亚理工大学和加州伯克利劳伦斯国家重点实验室做访问学者。主要研究方向为有机光电材料理论研究与超快太赫兹表征，在材料化学领域顶级期刊共发表八十余篇。包括Adv. Mater.；Angew. Chem. Int. Ed.；Chem. Soc. Rev.等。发展的计算模拟材料电荷传输性质的程序已植入分子MOMAP程序包，并授权软件著作权专利。参与撰写了科学出版社出版的《有机光电材料理论计算》。作为第三完成人获得《北京市科学技术奖自然科学一等奖》。培养多名研究生到中科院大学，中科院化学所、南开大学、北京师范大学深造。

邮箱：hgeng@cnu.edu.cn

[主持参与项目]：

国家自然科学基金面上项目: 高迁移率与发光效率有机光电材料的理论研究，2023.01-2026.12

北京市自然科学基金面上项目，有机纳米材料中光泵浦太赫兹检测与模拟载流子动力学过程的研究，2019.01-2021.12

科技部纳米科技重大研发计划：高迁移率有机半导体纳米功能材料的可控制备与性能调控， 2017.07-2022.06

国家自然科学基金面上项目 有机给体-受体交替共聚高分子电荷传输性质的理论研究，2017.01-2020.12

基金委重大项目 从电子激发态到光电材料性能的理论预测，2013.01-2017.12。

中国科学院先导专项 功能Pi –体系分子工程， 2014.01-2017.12

国家自然科学基金青年科学基金项目 有机电荷转移复合物中超交换电荷传输性质的理论研究，2014.01-2016.12

[发表论文]：

1. Shuai Li, Jingyao Chen, Yuling Wei, Jianbo De, Hua Geng,* Qing Liao, Runfeng Chen,* and Hongbing Fu*, “An Organic Laser Based on Thermally Activated Delayed Fluorescence with Aggregation-Induced Emission and Local Excited State Characteristics”, Angew. Chem. Int. Ed. 2022, e202209211.

2. Jingyao Chen, Xiaoxiao Xiao, Shuai Li, Yuai Duan, Guo Wang, Yi Liao,* Qian Peng,* Hongbing Fu, Hua Geng,* and Zhigang Shuai, “A Novel Strategy toward Thermally Activated Delayed Fluorescence from a Locally Excited State”, J. Phys. Chem. Lett. 2022, 13, 11, 2653. (封面)

3. Meihui Liu, Yuling Wei, Qi Ou, Peiyi Yu, Guo Wang, Yuai Duan, Hua Geng,* Qian Peng,*Zhigang Shuai, and Yi Liao*，“Molecular Design Strategy for Simultaneously Strong Luminescence and High Mobility: Multichannel CH‑π Interaction”, J. Phys. Chem. Lett. 2021, 12, 938.

4. Hua Geng，Xiaoyan Zheng, Zhigang Shuai, Yuanping Yi, Linyun Zhu, “Understanding the charge transport and polarities in organic donor-acceptor mixed-stack crystals: molecular insights from the super-exchange couplings” Adv. Mater. 2015，27(8), 1443 .

5. Hua Geng, Qian Peng, Linjun Wang, Haijiao Li, Yi Liao, Zhiying Ma, Zhigang Shuai*, “Towards quantitative prediction of charge mobility in organic semiconductors: tunneling enabled hopping model” Adv. Mater., 2012，24(26), 3568 .  (美国化学会网站亮点报道)

6. Zhigang Shuai*, Hua Geng*, Wei Xu, Yi Liao, Jean-Marie André, “From charge transport parameters to charge mobility in organic semiconductors through multiscale simulation” Chem. Soc. Rev. 2014, 43, 2662.

7. Wei-Na Zhang, Xiao-Qian Wu, Guo Wang, Yu-Ai Duan, Hua Geng*, and Yi Liao*, “Toward High Performance Ambipolar Transport from Super-exchange Perspective: Theoretical Insights for IID-based Copolymers”, Chinese J. Polym. Sci. 2022, 40, 355.

8. Ya’nan Sun, Ying Lv, Peng Han, Kun Li, Yuan Liang, Yuai Duan, Hui Zhang, Hua Geng,*, Yan Zhang, Hongbing Fu, Yi Liao *, Solar Energy Materials and Solar Cells, 2020, 215 ,110684.

9. Hua Geng, Lingyun Zhu, Yuanping Yi,* Daoben Zhu, and Zhigang Shuai*, “Superexchange Induced Charge Transport in Organic Donor−Acceptor Cocrystals and Copolymers: A Theoretical Perspective”, Chem. Mater. 2019, 31, 6424.

10. Mengying Bian, Yuanxun Wang, Xuan Guo, Fang Lv, Zhijian Chen, Lian Duan, Zuqiang Bian, Zhiwei Liu, * Hua Geng * and Lixin Xiao *, J. Mater. Chem. C, 2018, 6, 10276.

11. Feifei He, Changli Cheng, Hua Geng,* Yuanping Yi and Zhigang Shuai *, “Effect of donor length on electronic structures and charge transport polarity for DTDPP-based D–A copolymers: a computational study based on a super-exchange model”, J. Mater. Chem. A, 2018, 6, 11985.

12. Changli Cheng, Hua Geng,* Yuanping Yi and Zhigang Shuai*，J. Mater. Chem. C, 2017, 5, 3247 (封底热点).

13. Zhiying Ma, Hua Geng*, Dong Wang*, and Zhigang Shuai. “Influence of alkyl side-chain length on the carrier mobility in organic semiconductors: herringbone vs. pi-pi stacking”, J. Mater. Chem. C, 2016, 4(20), 4546.

14. Yunke Qin, Changli Cheng, Hua Geng*, Chao Wang, Wenping Hu, Wei Xu*, Zhigang Shuai*, Daoben Zhu*, “Efficient ambipolar transport properties in alternate stacking donor-acceptor complexes: from experiment to theory” Phys. Chem. Chem. Phys., 2016, 18 (20), 14094.