教育背景
2012.09-2017.06，中山大学，材料物理与化学，工学博士
2008.09-2012.06，中山大学，化学工程与工艺，工学学士
工作履历
2022.11-至今，中山大学，材料学院，副教授、研究生导师
2020.11-2022.10，美国劳伦斯伯克利国家实验室化学所，博士后
2018.05-2020.11，德国亚琛工业大学无机化学所，洪堡学者/博士后
2017.07-2018.02，中山大学化学工程与技术学院，副研究员
研究方向
第一性原理计算，磁性拓扑材料，机器学习，新能源材料
学术兼职
担任ACS Nano、Energy Storage Materials、ACS Applied Materials & Interfaces、Chemical Physics Letters等期刊审稿人。
主讲课程
本科生课程《大学物理》、《大学物理实验》
科研工作
【科研学术表现】
2018年获德国“洪堡学者”称号；2022年以“百人计划”青年学术骨干入职威廉希尔WilliamHill官方网站料学院，致力于计算物理与材料领域的交叉应用，涵盖磁性拓扑材料、二维材料、新型量子材料、锂电池材料、新能源材料等领域。
【创新团队介绍】
先进热控材料与系统集成团队
【出版学术专著】
1． 吕树申; 王晓明; 陈楷炫 ; 《纳米材料热电性能的第一性原理计算》，科学出版社，2019
【近期学术论文（#共同一作，*通讯作者）】
1． Wang, Z.; Yan, J.; Chen, K.*; Lyu, S.-S*. Effects of Stacking Configuration on the Electronic and Topological Properties of V2O3 Bilayers. Physical Review B 2025, 111 (8), 085425.
2． Yan, J.; Chen, K.*; Lyu, S*. Exchange Coupling-Induced Giant Spin Splitting in Two-Dimensional M2X3/TMD Heterostructures. The Journal of Physical Chemistry C 2024, 128 (46), 19856–19865.
3． Dai, Y.; Qu, Z.-T.; Wang, W.-K.; Li, M.-S.; Chen, K.*; Lyu, S.-S.* Hollow Carbon Nanospheres with Optimized Nitrogen Configuration Controlled by Heteroatom Doping for High-Performance Potassium-Ion Storage. Carbon 2024, 119051.
4． Wang, W.; Hu, M.; Qu, Z.; Dai, Y.; Chen, K.*; Lyu, S.* Hybrid Crosslinking for In-Situ Encapsulation of Three-Dimensional Porous SiOx@rGO as High-Performance Anodes in Lithium-Ion Batteries. Journal of Energy Storage 2023, 74, 109354.
5． Sun, B.#; Lu, Q.#; Chen, K.#; Zheng, W.; Liao, Z.; Lopatik, N.; Li, D.; Hantusch, M.; Zhou, S.; Wang, H. I.; Sofer, Z.; Brunner, E.; Zschech, E.; Bonn, M.; Dronskowski, R.; Mikhailova, D.; Liu, Q.; Zhang, D.; Yu, M.; Feng, X. Redox‐Active Metaphosphate‐Like Terminals Enable High‐Capacity MXene Anodes for Ultrafast Na‐Ion Storage. Advanced Materials 2022, 34 (15), 2108682.
6． Chen, K.; Fehse, M.; Laurita, A.; Arayamparambil, J. J.; Sougrati, M. T.; Stievano, L.; Dronskowski, R. Quantum‐Chemical Study of the FeNCN Conversion‐Reaction Mechanism in Lithium‐ and Sodium‐Ion Batteries. Angewandte Chemie International Edition 2020, 59 (9), 3718–3723.
7． Chen, K.; Li, W.-L.; Head-Gordon, T. Linear Combination of Atomic Dipoles to Calculate the Bond and Molecular Dipole Moments of Molecules and Molecular Liquids. The Journal of Physical Chemistry Letters 2021, 12 (51), 12360–12369.
8． Chen, K.*; Luo, D.; Dronskowski, R.* Exploring the Possible Anionic Redox Mechanism in Li-Rich Transition-Metal Carbodiimides. Journal of Physical Chemistry C 2021, 125 (16), 8479–8487.
9． Ling, Y.*; Li, T.; Yang, Y.; Tian, Y.; Wang, X.; Chen, K.*; Dong, D.; Chen, Y.; Amezawa, K. Oxygen Vacancies-Rich Iron-Based Perovskite-like Electrodes for Symmetrical Solid Oxide Fuel Cells. Ceramics International 2021, 47 (9), 12916–12925.
10． Chen, K.*; Li, W.-L.*; Schwarz, W. H. E.* d- and s-Orbital Populations in the d Block: Unbound Atoms in Physical Vacuum versus Chemical Elements in Condensed Matter. A Dronskowski-Population Analysis. Zeitschrift für Naturforschung B 2021, 76 (10–12), 547–557.
11． Li, W.-L.#; Chen, K.#; Rossomme, E.; Head-Gordon, M.; Head-Gordon, T. Optimized Pseudopotentials and Basis Sets for Semiempirical Density Functional Theory for Electrocatalysis Applications. The Journal of Physical Chemistry Letters 2021, 12 (42), 10304–10309.
12． Ma, Z.#; Chen, K.#; Jaworski, A.; Chen, J.; Rokicińska, A.; Kuśtrowski, P.; Dronskowski, R.; Slabon, A. Structural Properties of NdTiO2+xN1-x and Its Application as Photoanode. Inorganic Chemistry 2021, 60 (2), 919–929.
13． Arayamparambil, J. J.#; Chen, K.#; Iadecola, A.; Mann, M.; Qiao, X.; Fraisse, B.; Dronskowski, R.; Stievano, L.; Sougrati, M. T. Reversible High Capacity and Reaction Mechanism of Cr2(NCN)3 Negative Electrodes for Li‐Ion Batteries. Energy Technology 2020, 8 (3), 1901260.
14． Chen, K.; Dronskowski, R. First-Principles Study of Divalent 3d Transition-Metal Carbodiimides. Journal of Physical Chemistry A 2019, 123 (43), 9328–9335.
15． Chen, K.; Li, M. S.; Mo, D. C.; Lyu, S. S. Nanostructural Thermoelectric Materials and Their Performance. Frontiers in Energy 2018, 12 (1), 97–108.
16． Chen, K.; Lyu, S.-S.; Wang, X.-M.; Fu, Y.-X.; Heng, Y.; Mo, D.-C. Excellent Thermoelectric Performance Predicted in Two-Dimensional Buckled Antimonene: A First-Principles Study. The Journal of Physical Chemistry C 2017, 121 (24), 13035–13042.
17． Chen, K.; Lyu, S. S.; Luo, Z. Y.; Fu, Y. X.; Heng, Y.; Mo, D. C. Theoretical Design of a New Family of Two-Dimensional Topological Insulators. Physical Chemistry Chemical Physics 2017, 19 (11), 7481–7485.
18． Chen, K.; Luo, Z.-Y.; Mo, D.-C.; Lyu, S.-S. WSe2 Nanoribbons: New High-Performance Thermoelectric Materials. Physical Chemistry Chemical Physics 2016, 18 (24), 16337–16344.
19． Chen, K.; Wang, X.-M.; Mo, D.-C.; Lyu, S.-S. Thermoelectric Properties of Transition Metal Dichalcogenides: From Monolayers to Nanotubes. The Journal of Physical Chemistry C 2015, 119 (47), 26706–26711.
20． Chen, K.; Wang, X.-M.; Mo, D.-C.; Lyu, S.-S. Substrate Effect on Thermal Transport Properties of Graphene on SiC(0001) Surface. Chemical Physics Letters 2015, 618, 231–235.
【主持科研项目】
1. 中山大学高校基本科研业务费，2024年，主持；
2. 广东省基础与应用基础研究基金省市联合基金项目，2023年-2026年，主持；
3. 中山大学“百人计划”启动经费，2023年-2025年，主持。
奖励与荣誉
1. 2022年，中山大学“百人计划”引进人才
2. 2018 年，德国“洪堡学者”