姓名

张雅琴

性别

女

民族

汉族

籍贯

湖北宜昌

出生年月

1992.05

政治面貌

中共党员

最高学历

研究生

最高学位

博士

现任职务

无

技术职称

讲师

通讯地址

江苏省常州市金坛区河海大道1915号56号楼

电话

/

Email

yaqzhang5-c@hhu.edu.cn

个人简介：

张雅琴，女，工学博士，讲师。2025年与香港城市大学材料科学与工程系获工学博士学位（导师：FAN Jun），此前于中国科学院大学和丹麦技术大学联合培养获化学工程硕士双学位，师从著名化学工程专家张锁江院士和何宏艳研究员。现任职于河海大学材料科学与工程学院，主要从事能源分子催化转化、离子电池关键材料设计及溶液构效关系调控相关研究，参与国家自然科学基金面上项目、重点项目等项目多项。以第一/共一作者在Angew. Chem. Int. Ed.、Adv. Mater.、ACS Nano、Small、Green Chem.、J. Energy Chem.等期刊发表SCI论文16篇，累计发表SCI论文60+篇，引用2500余次，H-index为29。

主要研究方向：

结合量子化学、第一性原理计算、分子动力学模拟、机器学习，揭示功能分子、复合材料、溶液等复杂体系的构效关系、微观机制。

³  能源小分子催化材料设计与调控；

³  储能关键材料模拟计算；

³  电化学固液界面结构与过程模拟；

³  离子液体及溶液的物性调控与应用。

代表性论文：

1.   Yaqin Zhang, Yuhang Wang, Ninggui Ma, Jun Fan*. Directly predicting N₂   electroreduction reaction free energy using interpretable machine learning   with non-DFT calculated features. Journal of Energy Chemistry,   2024, 97,139-148.

2.  Yaqin Zhang, Yuhang Wang, Ninggui Ma, Bochun Liang, Yu Xiong, Jun Fan*. Revealing   the Adsorption Behavior of Nitrogen Reduction Reaction on Strained Ti₂CO₂   by a Spin-Polarized d-band Center Model. Small, 2024,   20, 2306840. (inside cover)

3.    Yaqin Zhang, Yuhang Wang, Ninggui Ma, Yao Li, Bochun Liang, Shuang Luo, Jun Fan*. Establishing   an orbital-level understanding of active origins of heteroatom-coordinated   single-atom catalysts: The case of N₂ reduction. Journal of   Colloid and Interface Science, 2023, 650, 961-971.

4. Yaqin Zhang, Ninggui Ma, Yuhang Wang, Bochun Liang, Jun Fan*. Theoretical design   toward highly efficient single-atom catalysts for nitrogen reduction by   regulating the “acceptance-donation” mechanism, Applied Surface Science,   2023, 623, 156827.

5. Yaqin Zhang, Ninggui Ma, Tairan Wang, Jun Fan*. Work Function Regulation   of Surface-engineered Ti₂CT₂ MXene for Efficient   Electrochemical Nitrogen Reduction Reaction, Nanoscale, 2022,   14, 12610-12619. (Back cover)

6. Yaqin Zhang, Yu Xiong, Yuhang Wang, Qianqian Wang, Jun Fan*.   Advances in Computational Approaches for Bridging Theory and Experiments in   Electrocatalysts Design. Nanoscale Horizons, 2025, 10,   2211-2238.

7.  Yaqin Zhang, Xin Tan, Weilu Ding, Yanlei Wang, Hongyan He*, Zhiwu Yu* Tracking the   Micro-heterogeneity and Hydrogen-bonding Interactions in   Hydroxyl-functionalized Ionic liquid solutions: A Combined Experimental and   Computational Study. ChemPhysChem, 2021, 22,1891–1899.

8. Yaqin Zhang, Tian Zhang,   Feng Huo, Yanlei Wang, Xuehui Li*, Hongyan He* Structure and interaction properties   of MBIL [Bmim][FeCl₄] and methanol: A combined FTIR and simulation   study. Journal of Molecular Liquids, 2020, 309, 113061.

9.  Yaqin Zhang, Zhiwei Wu,   Yaqian Wang, Hongyan He* and Zhiwu Yu* Excess spectroscopy and its   applications in the study of solution chemistry. Pure and Applied   Chemistry, 2020, 92(10), 1611-1626.

10.  Yaqin Zhang, Hongyan He#*, Yanrong   Liu, Yanlei Wang, Feng Huo, Maohong Fan, Hertanto Adidharma Adidharma, Xuehui   Li, Suojiang Zhang*. Recent progress in theoretical and computational studies   on the utilization of lignocellulosic materials. Green Chemistry,   2019, 21 (1): 9-35. (Front cover)

11.  Rong Zhang#, Yaqin   Zhang#, Bo Xu#, Shaoce Zhang, Yanbo Wang, Huilin Cui, Chuan Li, Yue Hou,   Ying Guo*, Tao Yang*, Jun Fan, Chunyi Zhi*. Phase Engineering of High-Entropy   Alloy for Enhanced Electrocatalytic Nitrate Reduction to Ammonia. Angew.   Chem. Int. Ed., 2024, 63(35), e202407589

12.  Yuhan Chen#, Jianan Yin#, Yaqin Zhang#,   Fucong Lyu, Bin Qin, Jingwen Zhou, Jia-hua Liu, Yun-chen Long, Zhengyi MAO,   Mulin Miao, Xiaoqiang Cai, Jun Fan*, Jian Lu*. Coupling High Hardness and Zn   Affinity in Amorphous-Crystalline Diamond for Stable Zn Metal Anodes. ACS   Nano, 2024, 18, 22, 14403–14413.

13.  Hu Hong#, Yu Wang#, Yaqin Zhang#, Bing Han,* Qing Li, Xun Guo,   Ying Guo, Ao Chen,Zhiquan Wei, Zhaodong Huang, Yuwei Zhao, Jun Fan,* and   Chunyi Zhi*. Hydrogen-Bonded Ionic Co-Crystals for Fast Solid-State Zinc Ion   Storage. Adv. Mater. 2024, 2407150.

14.  Jiafeng Lei, Yaqin   Zhang, Yanxin Yao, Yang Shi, Ka Lok Leung, Jun Fan, Yi-Chun Lu*. An   active and durable molecular catalyst for aqueous polysulfide-based redox   flow batteries. Nature Energy, 2023, 8, 1355-1364.

个人主页

https://www.researchgate.net/profile/Yaqin-Zhang-2

更新时间

2026年3月18日