清华大学副研究员。主要从事能源化学多尺度模拟计算与机器学习。面向二次电池先进材料设计开发，提出了离子–溶剂化学原创理论，开发了电解液多尺度模拟高通量计算平台，搭建了全球领先的电解液大数据库，构建了人工智能设计先进电解液的新范式，取得了一系列重要的创新性学术成果。以（共同）第一作者和共同通讯作者身份在Chem. Rev., Acc. Chem. Res., Sci. Adv., Chem, Angew. Chem.等期刊发表SCI论文40余篇；曾获清华大学研究生学术新秀、北京市优秀博士学位论文等奖励和荣誉；2020–2023连续入选科睿唯安全球高被引学者；承担国家自然科学基金优秀青年基金、中国科协青年托举工程、科技部重点研发专项子课题等项目；担任Nature, Nat. Catal., Nat. Commun., Angew. Chem., Adv. Mater.等期刊审稿人。
● 个人主页
https://www.webofscience.com/wos/author/record/C-6926-2017
● 教育与工作经历
2012~2016 清华大学化学工程系 本科
2016~2021 清华大学化学工程系 博士
2018~2019 美国加州大学伯克利分校 访问学生
2021~2023 清华大学化学工程系 博士后
2023~2024 清华大学化学工程系 助理研究员
2024~至今 清华大学化学工程系 副研究员
● 研究领域
能源化学、人工智能、二次电池、电解液、多尺度模拟计算
● 主要学术兼职
J. Energy Chem.和Batteries期刊客座编辑，Chinese. Chem. Lett., Green Carbon青年编委和中国颗粒学会青年理事
● 代表性论文和论著
[1] Yao, N.; Chen, X.;* Fu, Z.-H.; Zhang, Q.* Applying Classical, Ab Initio, and Machine-Learning Molecular Dynamics Simulations to the Liquid Electrolyte for Rechargeable Batteries. Chemical Reviews 2022, 122, 10970–11021.
[2] Gao, Y.-C.; Yao, N.; Chen, X.;* Yu, L.; Zhang, R.; Zhang, Q., Data-Driven Insight into the Reductive Stability of Ion–Solvent Complexes in Lithium Battery Electrolytes. Journal of the American Chemical Society 2023, 145, 23764–23770.
[3] Yao, N.; Yu, L.; Fu, Z.-H.; Shen, X.; Hou, T.-Z.; Liu, X.; Gao, Y.-C.; Zhang, R.; Zhao, C.-Z.; Chen, X.;* Zhang, Q.* Probing the Origin of Viscosity of Liquid Electrolytes for Lithium Batteries. Angewandte Chemie-International Edition 2023, 62, e202305331.
[4] Yao, N.; Sun, S.-Y.; Chen, X.;* Zhang, X.-Q.; Shen, X.; Fu, Z.-H.; Zhang, R.; Zhang, Q.* The Anionic Chemistry in Regulating the Reductive Stability of Electrolytes for Lithium Metal Batteries. Angewandte Chemie-International Edition 2022, 61, e202210859.
[5] Chen, X.; Liu, X.; Shen, X.; Zhang, Q. Applying Machine Learning in Rechargeable Batteries from Microscale to Macroscale. Angewandte Chemie-International Edition 2021, 60, 24354–24366.
[6] Yao, N.; Chen, X.;* Shen, X.; Zhang, R.; Fu, Z.-H.; Ma, X.-X.; Zhang, X.-Q.; Li, B.-Q.; Zhang, Q.* An Atomic Insight into the Chemical Origin and Variation of Dielectric Constant in Liquid Electrolytes. Angewandte Chemie-International Edition 2021, 60, 21473–21478.
[7] Chen, X.; Bai, Y.-K.; Zhao, C.-Z.; Shen, X.; Zhang, Q. Lithium Bonds in Lithium Batteries. Angewandte Chemie-International Edition 2020, 59, 11192–11195.
[8] Chen, X.; Zhang, Q., Atomic Insights into the Fundamental Interactions in Lithium Battery Electrolytes. Accounts of Chemical Research 2020, 53, 1992–2002.
[9] Chen, X.; Chen, X.-R.; Hou, T.-Z.; Li, B.-Q.; Cheng, X.-B.; Zhang, R.; Zhang, Q., Lithiophilicity Chemistry of Heteroatom-Doped Carbon to Guide Uniform Lithium Nucleation in Lithium Metal Anodes. Science Advances 2019, 5, eaau7728.
[10] Chen, X.; Shen, X.; Hou, T.-Z.; Zhang, R.; Peng, H.-J.; Zhang, Q., Ion-Solvent Chemistry-Inspired Cation-Additive Strategy to Stabilize Electrolytes for Sodium-Metal Batteries. Chem 2020, 6, 2242–2256.
[11] Chen, X.; Shen, X.; Li, B.; Peng, H. J.; Cheng, X. B.; Li, B. Q.; Zhang, X. Q.; Huang, J. Q.; Zhang, Q. Ion–Solvent Complexes Promote Gas Evolution from Electrolytes on a Sodium Metal Anode. Angewandte Chemie-International Edition 2018, 57, 734–737.
[12] Chen, X.; Peng, H. J.; Zhang, R.; Hou, T. Z.; Huang, J. Q.; Li, B.; Zhang, Q. An Analogous Periodic Law for Strong Anchoring of Polysulfides on Polar Hosts in Lithium Sulfur Batteries: S- or Li-Binding on First-Row Transition-Metal Sulfides? ACS Energy Letter 2017, 2, 795–801.
[13] Chen, X.; Hou, T. Z.; Li, B.; Yan, C.; Zhu, L.; Guan, C.; Cheng, X. B.; Peng, H. J.; Huang, J. Q.; Zhang, Q. Towards Stable Lithium–Sulfur Batteries: Mechanistic Insights into Electrolyte Decomposition on Lithium Metal Anode. Energy Storage Materials 2017, 8, 194–201.
[14] Chen, X.; Hou, T. Z.; Persson, K. A.; Zhang, Q. Combining Theory and Experiment in Lithium–Sulfur Batteries: Current Progress and Future Perspectives. Materials Today 2019, 22, 142–158.
[15] Chen, X.; Li, H.-R.; Shen, X.; Zhang, Q., The Origin of the Reduced Reductive Stability of Ion–Solvent Complexes on Alkali and Alkaline Earth Metal Anodes. Angewandte Chemie-International Edition. 2018, 57, 16643–16647.
[16] Chen, X.; Zhang, X.-Q.; Li, H.-R.; Zhang, Q., Cation–Solvent, Cation–Anion, and Solvent–Solvent Interactions with Electrolyte Solvation in Lithium Batteries. Batteries & Supercaps 2019, 2, 128–131.
[17] Chen, X.; Bai, Y.-K.; Zhao, C.-Z.; Shen, X., Zhang, Q., Lithium Bond in Lithium Batteries. Angewandte Chemie-International Edition. 2020, 59, 11192–11195.
[18] Chen, X.; Bai, Y.-K.; Shen, X.; Peng, H.-J.; Zhang, Q., Sodiophilicity/Potassiophilicity Chemistry in Sodium/Potassium Metal Anodes. Journal of Energy Chemistry 2020, 51, 1–6.
[19] Chen, X.; Yao, N.; Zeng, B.-S.; Zhang, Q. Ion–solvent chemistry in lithium battery electrolytes: From mono-solvent to multi-solvent complexes. Fundamental Research 2021, 1, 393–398.
[20] Ma, X.-X.; Shen, X.; Chen, X.;* Fu, Z.-H.; Yao, N.; Zhang, R.; Zhang, Q.* The Origin of Fast Lithium-Ion Transport in the Inorganic Solid Electrolyte Interphase on Lithium Metal Anodes. Small Structure 2022, 3, 2200071.
[21] Fu, Z.-H.; Chen, X.;* Yao, N.; Shen, X.; Ma, X.-X.; Feng, S.; Wang, S.; Zhang, R.; Zhang, L.; Zhang, Q.* The chemical origin of temperature-dependent lithium-ion concerted diffusion in sulfide solid electrolyte Li10GeP2S12. Journal of Energy Chemistry 2022. 70, 59–66.
[22] Fu, Z.-H.; Chen, X.;* Zhang, Q. Review on the lithium transport mechanism in solid-state battery materials. WIREs Computational Molecular Science 2022, DOI, 10.1002/wcms.1621.
[23] Feng, S.; Fu, Z.-H.; Chen, X.;* Zhang, Q. A review on theoretical models for lithium–sulfur battery cathodes. InfoMat 2022, 4, e12304.
[24] Chen, X.; Hou, T. Z.; Peng, H. J.; Cheng, X. B.; Huang, J. Q.; Zhang, Q. Review on the Applications of First-Principles Calculation in Lithium–Sulfur Batteries. Energy Storage Science and Technology 2017, 6, 500–521. (Chinese paper)
[25] Zhang, X. Q.;† Chen, X.;† Xu, R.; Cheng, X. B.; Peng, H. J.; Zhang, R.; Huang, J. Q.; Zhang, Q. Columnar Lithium Metal Anodes. Angewandte Chemie-International Edition 2017, 56, 14207–14211.
[26] Hou, T. Z.;† Xu, W. T.;† Chen, X.;† Peng, H. J.; Huang, J. Q.; Zhang, Q. Lithium Bond Chemistry in Lithium–Sulfur Batteries. Angewandte Chemie-International Edition 2017, 56, 8178–8182.
[27] Zhang, R.;† Chen, X. R.;† Chen, X.;† Cheng, X. B.; Zhang, X. Q.; Yan, C.; Zhang, Q. Lithiophilic Sites in Doped Graphene Guide Uniform Lithium Nucleation for Dendrite-Free Lithium Metal Anodes. Angewandte Chemie-International Edition 2017, 56, 7764–7768.
[28] Kong, L.;† Chen, X.;† Li, B. Q.;† Peng, H. J.; Huang, J. Q.; Xie, J.; Zhang, Q. A Bifunctional Perovskite Promoter for Polysulfide Regulation toward Stable Lithium–Sulfur Batteries. Advanced Materials 2018, 30, 1705219.
[29] Tang, C.;† Wang, H. F.;† Chen, X.;† Li, B. Q.; Hou, T. Z.; Zhang, B.; Zhang, Q.; Titirici, M. M.; Wei, F. Topological Defects in Metal-Free Nanocarbon for Oxygen Electrocatalysis. Advanced Materials 2016, 28, 6845–6851.
[30] Zhang, X. Q.;† Cheng, X. B.;† Chen, X.;† Yan, C.; Zhang, Q. Fluoroethylene Carbonate Additives to Render Uniform Li Deposits in Lithium Metal Batteries. Advanced Functional Materials 2017, 27, 1605989.
[31] Duan, H.;† Zhang, J.;† Chen, X.;† Zhang, X.-D.; Li, J.-Y.; Huang, L.-B.; Zhang, X.; Shi, J.-L.; Yin, Y.-X.; Zhang, Q.; Guo, Y.-G.; Jiang, L.; Wan, L.-J., Uniform Nucleation of Lithium in 3D Current Collectors via Bromide Intermediates for Stable Cycling Lithium Metal Batteries. Journal of the American Chemical Society. 2018, 140, 18051–18057.
[32] Fan, Y. C.;† Chen, X.;† Legut, Dominik; Zhang, Q. F. Modeling and Theoretical Design of Next-Generation Lithium Metal Batteries. Energy Storage and Materials 2019, 16, 169–193.
[33] Li, B.-Q.;† Chen, X.-R.;† Chen, X.;† Zhao, C.-X.; Zhang, R.; Cheng, X.-B.; Zhang, Q., Favorable Lithium Nucleation on Lithiophilic Framework Porphyrin for Dendrite-Free Lithium Metal Anodes. Research 2019, 2019, 1–11.
[34] Li, B.-Q.;† Peng, H.-J.;† Chen, X.;† Zhang, S.-Y.; Xie, J.; Zhao, C.-X.; Zhang, Q., Polysulfide Electrocatalysis on Framework Porphyrin in High-Capacity and High-Stable Lithium–Sulfur Batteries. CCS Chemistry 2019, 1, 128–137.
[35] Zhang, X.-Q.;† Chen, X.;† Hou, L.-P.; Li, B.-Q.; Cheng, X.-B.; Huang, J.-Q.; Zhang, Q., Regulating Anions in the Solvation Sheath of Lithium Ions for Stable Lithium Metal Batteries. ACS Energy Letters 2019, 4, 411–416.
[36] Cai, J.;† Song, Y.;† Chen, X.;† Sun, Z.; Yi, Y.; Sun, J.; Zhang, Q., MOF-derived conductive carbon nitrides for separator-modified Li–S batteries and flexible supercapacitors. Journal of Materials Chemistry A 2020, 8, 1757–1766.
