郑玉杰，博士、副教授，硕士生导师，重庆市高层次人才（AIII类）。2017年毕业于新加坡国立大学物理系，获博士学位。2013毕业于四川大学物理学（基地班），获学士学位。2012年申请到新加坡国立大学研究生全额奖学金，2013年四川大学优秀毕业生。2017年11月至2018年4月于新加坡二维超材料中心做博士后，2018年5月至2018年11月于重庆赛宝工业技术研究院任高级研发工程师。

研究兴趣是基于第一性原理计算、机器学习等理论方法研究新能源材料和功能材料的微观结构与宏观物理化学性质的关系，具体包括探究低维材料的新颖物性，开发新型有机光伏材料、储能材料，通过缺陷、掺杂或异质结工程等优化光热、储能等材料的性能。近5年在Energy Storage Materials, ACS Nano, Nano Lett., Sci. Adv., Small, Adv. Sci.等国内外期刊发表论文90余篇。担任了Nature、Nano Energy、Carbon、ACS Appl. Mater. Interfaces、Journal of Natural Gas Science & Engineering等期刊审稿人，获得2024重庆市科学技术奖自然科学奖二等奖（排名第二），重庆市研究生导师团队成员，现主持包括国家自然科学自然基金青年基金项目、重庆市自然科学基金面上项目、重庆市人社局留学人员回国创业创新支持计划等项目10项。已指导本科生发表学术论文2篇，获得软件著作权1项，完成市级/校级SRTP项目10余次，并获得了2021年第十七届“挑战杯”重庆市黑科技选拔赛一等奖、2021中国大学生计算机设计大赛重庆市级赛三等奖、2025年重庆大学节能减排社会实践与科技竞赛三等奖等多次。

研究方向：

（1）可再生能源材料（如离子电池、光伏、催化等）的虚拟开发及物性研究

（2）机器学习、数据驱动等方法在新能源及储能研究中的应用

学生培养：

《能源材料理论计算与模拟》研究生课程（英文）

《储能原理与技术》本科生课程

《储能原理与技术课程设计》本科生课程

《量子力学》本科生课程

《工程学导论》本科生课程

 向优秀本科生、研究生提供从原子、分子及器件尺度探索新能源材料与器件的科研项目训练机会，欢迎随时联系与交流!

科研项目（承担项目）：

(1) 国家自然科学基金委员会，青年科学基金项目，12004057，缺陷与掺杂对有机/过渡金属硫化物异质结电光学特性影响的第一性原理研究，主持。

(2) 重庆市科学技术局，重庆市自然科学基金面上项目，CSTB2022NSCQ-MSX1183，基于机器学习的有机光伏小分子片段序构-性质关系研究，主持。

(3) 重庆市人社局，留学人员创业创新支持计划创新类项目，cx2020075，基于机器学习和第一性原理计算的有机光伏受体材料开发，主持。

(4) 重庆市人社局，留学人员创业创新支持计划创新类项目，cx2025094，水系锌离子电池小分子添加剂的智能开发及工作机理研究，主持。

(4) 重庆大学，中央高校基本科研业务费，师生科研能力提升专项，主持。

(5) 重庆大学，低品位能源利用技术及系统教育部重点实验室开放基金，LLEUTS-2020008，基于机器学习的有机光伏给体材料开发，主持。

(6) 南方电网科学研究院有限责任公司，激活表面参与锂的正极材料回收修复技术，主持。

(7) 中国核动力研究设计院，化学形态及吸附机器学习验证，01-FW-GKJT-250447，主持。

(8) 中国核动力研究设计院，迁移沉积微观作用机器学习验证，01-FW-GKJT-250993，主持。

(9) 重庆长安民生物流股份有限公司，动态线路规划模型项目，项目经理（乙方）。

发表论文：

谷歌学术:  https://cc.glgoo.top/citations?hl=zh-CN&user=yvQPVbMAAAAJ

Researchgate：https://www.researchgate.net/profile/Yujie_Zheng6

1、Tian Zhao, Yujie Zheng*, Senpeng Jiang, Meng Li, Kuan Sun. Interface regulation mechanisms and research progress of organic small-molecule additives in aqueous zinc-ion batteries. Energy Storage Materials, 2025, 81, 104483.

2、Haoran Luo#, Qianzhi Gou#, Yujie Zheng *, Kaixin Wang, Ruduan Yuan, Sida Zhang, Wei Fang, Ziga Luogu, Yuzhi Hu, Huaping Mei, Bingye Song, Kuan Sun, John Wang, Meng Li*. Machine learning-assisted high-donor-number electrolyte additive screening toward construction of dendrite-free aqueous zinc-ion batteries, ACS Nano, 2025, 19: 2427-2443.

3、Yingfang Li, Qianzhi Gou, Yuting He, Ziga Luogu, Xiaojin Lian, Kaixin Wang, Meng Li, Baihua Qu, and Yujie Zheng*. Cooperative Design of Magnesium Ions with Cations or Anions in 2D VS2 Electrodes. Nano Lett. 2025, 25, 13614−13620.

4、Yuting He, Jiangbin Deng, Kaixin Wang, Qianzhi Gou, Haoran Luo, Ziga Luogu, Zhaoyu Chen, Ke Wen, Yujie Zheng* and Meng Li*. Bio-inspired ion channels for suppressing interfacial parasitic reactions and enabling low-energy ion desolvation in aqueous supercapacitors. Chem. Sci., 2025, 16, 16757-16769.

5、Zeping Ou, Yu Jie Zheng,* Yi Pan, and Kuan Sun*. The Impact of Diammonium Cation Dipole Moment on Charge Transport in 2D/3D Perovskite. J. Phys. Chem. Lett. 2025, 16, 10324−10335.

6、Zeping Ou, Yu Jie Zheng*, Chen Li, Kuan Sun*. Role of A-site Cation Hydrogen Bonds in Hybrid Organic-Inorganic Perovskites: A Theoretical Insight. J. Phys. Chem. Lett., 2025, 16, 802−810.

7、Yuzhi Hu, Qi Zhang, Arramel Arrame Yuehao Yuan, Shanshan Chen, Yujie Zheng*, Kuan Su. Molecular modification of A-π-D-π-A type small molecule donors for high performance photovoltaics. Sol. RRL 2025, 9, 2400875..

8、Yuanhua Xiao*, Yang Kong, Xuezhao Wang*, Haoran Luo, Gaozhan Yua, Shiwei Zhang, Aiqing Zhang, Jun Zhou, Yuanyuan Fan, Ling Xin, Anle Wang, Shaoming Fang*, Yujie Zheng*. Synergetic interface engineering and space-confined effect in CoSe2@Ti3C2Tx heterostructure for high power and long life sodium ion capacitors. Journal of Colloid and Interface Science, 2025, 677, 577–586.

9、Changding Wang, Yingfang Li, Sida Zhang, Tian-Yi Sang, Yu Lei, Ruiqi Liu, Fu Wan, Yuejiao Chen, Weigen Chen*, Yujie Zheng*, Shuhui Sun*. Organic cation-supported layered vanadate cathode for high-performance aqueous zinc-ion batteries. Carbon Energy. 2024; e647.

10、Yingfang Li, Jizhou Jiang, Xiufang Li, Meng Li, Yujie Zheng*, Kuan Sun, MXenes with functional N terminal group offer a covalent bond storage mechanism for anions, Phys. Rev. B, 2024, 110, 155401.

11、Ziga Luogu†, Qianzhi Gou†, Haoran Luo, Zhaoyu Chen, Jiangbin Deng, Kaixin Wang, Yuting He,Yingfang Li, Lei Wang, Ben Zhang, Yujie Zheng*, Meng Li*，Sci China Mater, 2024, 67(8): 2558–2566.

12、Haoran Luo; Jizhou Jiang; Arramel; Meng Li; Kuan Sun; Yujie Zheng*; Working mechanism of MXene as the anode protection layer of aqueous zinc-ion batteries, J. Colloid Interface Sci., 2024, 654: 289-299.

13、Yingfang Li; Kunlun Wu*; Haoran Luo; Meng Li; Lei Wang; Kuan Sun; Yujie Zheng*; Doped VS2 as a high-performance electrode material for rechargeable Mg-ion batteries, Physical Review Applied, 2024, 21, 024038.

14、Qixing Wang*, Zhiyuan Jin, Qi Zhang, Dingguan Wang*, Yu Jie Zheng*; Probing defect states in 2D perovskites by two-photon absorption. Appl. Phys. Lett., 2024; 125 (13): 131105.

15、Fu Wan,* Ruiqi Liu,* Yaoyang Xia, Kaida Hu, Yu Lei, Changding Wang, Sida Zhang, Shufan Li, Da Yang, Yujie Zheng,* and Weigen Chen. Phase-Modified Strongly Coupled δ/ε-MnO2 Homojunction Cathode for Kinetics-Enhanced Zinc-Ion Batteries. Inorg. Chem. 2024, 63, 6988−6997.

16、H. Luo, J. Deng, Q. Gou, O. Odunmbaku, K. Sun, J. Xiao, M. Li*, Y. Zheng*. Accelerated discovery of novel high-performance zinc-ion battery cathode materials by combining high-throughput screening and experiments, Chin. Chem. Lett. 2023, 34(8):107885.

17、Q., Zhang, Y. J. Zheng*, W. Sun, Z. Ou, O. Odunmbaku, M. Li, S. Chen, Y. Zhou, J. Li, B. Qin, K. Sun*, High-Efficiency Non-Fullerene Acceptors Developed by Machine Learning and Quantum Chemistry. Adv. Sci. 2022, 2104742.

18、Liyang Zhang, Yujie Zheng*, Jiacheng Wang, Yang Geng, Ben Zhang, Junjie He, Junmin Xue, Thomas. Frauenheim, Meng Li*, Ni/Mo Bimetallic‐Oxide‐Derived Heterointerface‐Rich Sulfide Nanosheets with Co-Doping for Efficient Alkaline Hydrogen Evolution by Boosting Volmer Reaction. Small 2021, 17, 10, 1613-6810.

19、Dingqin Hu#; Qianguang Yang#; Yujie Zheng#; Hua Tang; Sein Chung; Ranbir Singh; Jie Lv; Jiehao Fu; Zhipeng Kan; Bo Qin; Qianqian Chen; Zhihui Liao; Haiyan Chen; Zeyun Xiao; Kuan Sun; Shirong Lu. 15.3% Efficiency All-Small-Molecule Organic Solar Cells Achieved by a Locally Asymmetric F, Cl Disubstitution Strategy. Advanced Science, 2021, 8, 2004262.

20、Zheng, Y. J.;  Zhang, Q.;  Odunmbaku, O.;  Ou, Z.;  Li, M.; Sun, K., Tuning the carrier type and density of monolayer tin selenide via organic molecular doping. Journal of Physics: Condensed Matter 2021, 34 (8), 085001.

21、Hong Zhang, Xiaofang Liu, Jiacheng Wang, Bin Zhang, Jie Chen, Lei Yang, Guoyu Wang, Meng Li*, Yujie Zheng*, Xiaoyuan Zhou, and Guang Han*, Solution-Synthesized SnSe1–xSx: Dual-Functional Materials with Enhanced Electrochemical Storage and Thermoelectric Performance, ACS Appl. Mater. Interfaces 2021, 13, 31, 37201–37211.

22、Peijin Ying, Meng Li*, Feilin Yu, Yang Geng, Liyang Zhang, Junjie He, Yujie Zheng*, and Rong Chen. Band Gap Engineering in an Efficient Solar-Driven Interfacial Evaporation System. ACS Appl. Mater. Interfaces, 2020, 12, 29, 32880–32887.

23、Yu Jie Zheng, Yifeng Chen, Yu Li Huang, Pranjal Kumar Gogoi, Ming Yang Li, Lain-Jong Li, Paolo E. Trevisanutto, Qixing Wang, Stephen J Pennycook*, Andrew Thye Shen Wee*, Su Ying Quek*. Point Defects and Localized Excitons in 2D WSe₂. ACS Nano, 2019, 13(5), 6050-6059.

24、Wenbo Sun†, Yujie Zheng†, Ke Yang†, Qi Zhang, Akeel A. Shah, Zhou Wu, Yuyang Sun, Liang Feng, Dongyang Chen, Zeyun Xiao*, Shirong Lu*, Yong Li, Kuan Sun*. Machine learning–assisted molecular design and efficiency prediction for high-performance organic photovoltaic materials. Sci. Adv., 2019, 5 (11), eaay4275.

25、Yu Li Huang,† Yu Jie Zheng,† Zhibo Song, Dongzhi Chi, Andrew T. S. Wee*, Su Ying Quek*. The organic–2D transition metal dichalcogenide heterointerface. Chem. Soc. Rev., 2018, 47, 3241-3264.

26、Yu Jie Zheng, Yu Li Huang, Yifeng Chen, Weijie Zhao, Goki Eda, Catalin D Spataru, Wenjing Zhang, Yung-Huang Chang, Lain-Jong Li, Dongzhi Chi, Su Ying Quek*, Andrew Thye Shen Wee*. Heterointerface Screening Effects Between Organic Monolayers and Monolayer Transition Metal Dichalcogenides. ACS Nano, 2016, 10 (2), 2476-2484.