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），此前于中国科伟德国际1946源于英国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。现任职于伟德国际1946源于英国伟德国际1946源于英国，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