赵智雯，女，1993年10月出生，湖北省丹江口市人，中共党员，于2016年6月首都师范大学化学（师范）专业本科毕业，获得理学学士学位，同年，保送至东北师范大学攻读博士学位并于2021年6月博士毕业，获得理学博士学位。曾获得中国留学基金委公派留学奖学金于2019年9月至2020年9月赴英国利物浦大学联合培养，于2021年10月至2021年12月赴南京大学访学交流。已在Chemistry of Materials、The Journal of Physical Chemistry Letters、ACS Sustainable Chemistry &Engineering、The Journal of Physical Chemistry C、The Journal of Organic Chemistry 等杂志以第一作者身份发表SCI论文10余篇。
一、研究兴趣
1、有机太阳能电池中电荷转移机制的讨论，活性层材料的分子设计及晶体结构预测
2、数据驱动的有机光电功能材料的分子设计、性能预测及机理探讨
3、金属配合物基光催化反应的反应机理设计及反应过程中电荷转移和能量转移过程的讨论
二、发表科研论文
18. R. H. Li, S. Wang, Z. W. Zhao, Y. Geng, X. L. Wang, Z. M. Su, W. Guan*, Springboard Role for Iridium Photocatalyst: Theoretical Insight of C(sp3)‒N Cross‐Coupling by Photoredox‐Mediated Iridium/Copper Dual Catalysis versus Single‐Copper Catalysis, ChemCatChem, accept, (SCI, IF=5.686)
17. Y. C. Duan, Y. Gao, Q. Q. Pan, Z. W. Zhao, Y. Wu, L. Zhao, Y, Geng*, Z. M. Su*,Whether the combination of AIE and TADF functional groups produces AIE-type TADF? –A theoretical study on the synergistic effect of TPE and carbazole donor group/thianthrene-tetraoxide acceptor group, Dyes and Pigments, 2021, 194, 109547 (SCI, IF=4.613)
16. Z. W. Zhao, Ö. H. Omar, D. Padula, Y. Geng, A. Troisi,* Computational identification of alternative non-fullerene acceptors by modification of known compounds, The Journal of Physical Chemistry Letters, 2021, 12, 20, 5009-5015 (SCI, IF=6.710)
15. Y. J. Dong, B. Zhu, Y. Geng, Z. W. Zhao, Z. M. Su*, W. Guan,* Radical mechanism of IrIII/NiII-metallaphotoredox catalyzed C(sp3)-H functionalization triggered by proton coupled electron transfer: theoretical insight, CCS Chemistry, 2021, 3, 1456–1467 (SCI)
14. Y. C. Duan, Q. Q. Pan, Z. W. Zhao, Y. Gao, Y. Wu, L. Zhao, Y, Geng*, M. Zhang, Z. M. Su*, Theoretical Simulations of Thermochromic and Aggregation‐induced Emission Behaviors of a Series of Red‐light Anthracene-o-carborane Derivatives, Chemistry A European Journal, 2021, 27, 9571 –9579 (SCI, IF=5.236)
13. Y. Fang, Y. C. Duan, Y. Geng*, Z. W. Zhao, R. L. Zhong, L. Zhao*, R. H. Li, M. Zhang, Z. M. Su*, Theoretical study on the photocyclization reactivity mechanism in a diarylethene derivative with multicolour fluorescence modulation, Journal of Photochemistry and Photobiology A: Chemistry, 2021, 406, 1, 113024 (SCI, IF=2.926)
12. Z. W. Zhao, Y. J. Dong, Y. Geng,* W. Guan,* R. H. Li, and Z. M. Su, The superiority of iridium-based photocatalyst and role of quinuclidine in the reaction of site-selective α-C(sp3)-H alkylation, The Journal of Organic Chemistry, 2021, 86, 1, 484–492 (SCI, IF=4.335)
11. Z. W. Zhao, M. d. Cueto, Y. Geng, A. Troisi,* Effect of increasing the descriptor set on machine learning prediction of small-molecule-based organic solar cells, Chemistry of Materials, 2020, 32, 18, 7777–7787 (SCI, IF=9.838)
10. Z. W. Zhao, A. Troisi, Y. Geng,* X. F. Wang,* Z. M. Su*, Exploring charge dissociation in a statistical sample of active layer models of organic solar cell, The Journal of Physical Chemistry C, 2020, 124, 34, 18840–18846 (SCI, IF=4.443)
9. Y. J, Liang, Z. W. Zhao, Y. Geng*, Q. Q. Pan, H.Y Gu, L. Zhao, M. Zhang, S. X. Wu, Z. M. Su*, Can we utilize higher Frenkel exciton state in biazulene diimidesbased non-fullerene acceptors to promote charge separation at the donor/acceptor interface?, New Journal of Chemistry, 2020, 44, 9767-9774 (SCI, IF=3.288)
8. Z. W. Zhao, Q. Q. Pan, Y. Geng*, Y. Wu, L. Zhao, M. Zhang, Z. M. Su*, A theoretical insight into multiple charge-transfer mechanisms at the P3HT/nonfullerenes interface in organic solar cells, ACS Sustainable Chemistry & Engineering, 2019, 7, 24, 19699–19707 (SCI, IF=6.354)
7. Q. Q. Pan, Z. W. Zhao, Y. Wu, Y. Geng*, Insight into the optoelectronic characteristics of diimide-based acceptors in organic solar cells by performing DFT calculation and molecular dynamics simulation, Journal of Molecular Graphics & Modellling, 2017, 77, 9-16 (SCI, IF=1.885)
6. Q. Q. Pan, Z. W. Zhao, Y. Wu, Y. Geng*, M. Zhang, Z. M. Su*, A theoretical exploration on why the replacement of hexyl group by alkoxycarbonyl in P3HT could greatly improve the performance of non-fullerene organic solar cell, Journal of the Taiwan Institute of Chemical Engineers, 2019, 100, 160-167 (SCI, IF=4.040)
5. Z. W. Zhao, Q. Q. Pan, Y. C. Duan, Y. Wu, Y. Geng*, S. X. Wu, Z. M. Su*, Terminal modulation in search of a balance between hole transport and electron transfer at the interface for BODIPY-based organic solar cells, The Journal of Physical Chemistry C, 2019, 123, 11, 6407–6415 (SCI, IF=4.443)
4. Z. W. Zhao, Y. C. Duan, Q. Q. Pan, Y. Gao, Y. Wu, Y. Geng*, L. Zhao, M. Zhang, Z. M. Su*, A probe into underlying Factors affecting ultrafast charge transfer at donor/IDIC interface of all-small-molecule nonfullerene organic solar cells, Journal of Photochemistry and Photobiology A: Chemistry, 2019, 375, 1-8 (SCI, IF=2.926)
3. Z. W. Zhao, Q. Q. Pan, Y. Geng*, S. X. Wu, M. Zhang, L. Zhao, Z. M. Su*, A theoretical design of performant chlorinated benzothiadiazole-based polymers as donor for organic photovoltaic devices, Organic Electronics, 2018, 61, 46-55 (SCI, IF=3.525)
2. Z.W. Zhao, Q. Q. Pan, S. X. Wu, Y. Wu, M. Zhang, L. Zhao, T. Gao, Y. Geng*, Z. M. Su*, Theoretical investigation on the effect of fluorine and carboxylate substitutions on the performance of benzodithiophene-diketopyrrolopyrrole-based polymer solar cells, Theoretical Chemistry Accounts, 2018, 137:51 (SCI, IF=1.678)
1. Z. W. Zhao, Q. Q. Pan, S. B. Li, Y. A. Duan, Y. Geng*, M. Zhang, Z. M. Su*, A theoretical exploration of the effect of fluorine and cyano substitutions in diketopyrrolopyrrole-based polymer donor for organic solar cells, Journal of Molecular Graphics & Modellling, 2017, 77, 9-16 (SCI, IF=1.834)
