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张硕，青岛科技大学特聘副教授，主要从事理论模拟指导下的能源存储与转化材料的基础研究工作。围绕电催化能源转化、能源存储材料、界面电子结构调控及反应机理解析等方向，开展理论计算与实验验证相结合的研究。目前主持青岛市博士后资助项目、山东省博士后创新项目等科研项目。以第一作者、共同第一作者或通讯作者在 Angewandte Chemie International Edition、Advanced Science、Small等国际学术期刊发表论文20篇。

研究方向

1.      理论模拟指导的电催化材料设计

通过密度泛函理论计算、电子结构分析和反应路径模拟，揭示催化剂活性位点、界面电子转移及反应中间体吸附行为。围绕金属团簇、多孔有机材料、金属化合物等体系，建立材料结构、电子状态与催化/储能性能之间的关联。

2.      能源转化电催化材料

重点关注水氧化反应、氨氧化反应、氮还原反应、二氧化碳还原反应等能源转化过程中的催化剂设计与机理研究。

研究生招生

课题组常年招收具有化学、材料、化工、电化学、计算化学、能源材料等相关背景的研究生，包括第一志愿考生及调剂考生。课题组可为学生提供良好的科研平台和具有竞争力的科研及生活条件。欢迎对电催化、能源材料、理论计算、储能材料、金属团簇及多孔材料感兴趣的同学联系。

联系方式：

Email: zhangshuo@qust.edu.cn

课题组主页：https://www.x-mol.com/groups/wang_shuxin

代表性论文

2026年

Yang Zuo, Ziqi Chen, Along Ma, Xinru Zhai, Yuansheng Li, Shiyin Yang, Yifei Wang, Shuo Zhang*, Xiaoshuang Ma*, Shuxin Wang*. Small, 2026, e14571.

Rufeng Yang, Yufei Li, Lin Li, Zhiyuan Zhang, Junhua Wang, Xiongli Liu, Shan Wang, Chuanjiao Wang, Yuhan Liu, Shuo Zhang*, Qiao Zhao*, Baiyan Li. ACS Materials Letters, 2026, 8, 189.

Yuansheng Li, Along Ma, Jiaqi Zhao, Linlin Yu, Yifei Wang, Lin Xiong*, Shuo Zhang*, Shuxin Wang*. Inorganic Chemistry, 2026, 65, 4469–4476.

2025年

Shuo Zhang, Yiqing Zhang, Miao Wan, Jiayi Zhang, Shuxin Wang*. Chinese Chemical Letters, 2025, 10.1016/j.cclet.2026.112385.

Shuo Zhang, Hai-Jun Liu*, Yu-Feng Liu, Ya-Nan Zhou, Xin-Yu Zhang, Bin Dong*, Qun-Wei Tang*. Small, 2025, e09809.

Along Ma, Yonggang Ren, Yang Zuo, Jiaqi Zhao, Shuo Zhang*, Xiaoshuang Ma*, Shuxin Wang*. Chemical Communications, 2025, 61, 10772.

Hai-Jun Liu, Shuo Zhang*, Qiu-Ju Fu, Xue-Bo Zhao*, Qun-Wei Tang*. International Journal of Hydrogen Energy, 2025, 180, 151795.

2024年

Laiyu Zhang, Qiong Lei, Mao Yi, Zhiyuan Zhang, Xin Lian, Jian Xu, Shuo Zhang*, Lin Li*, Baiyan Li*, Xian-He Bu. Angewandte Chemie International Edition, 2024, e202421753.

2023年

Shuo Zhang, Huimin Jiang, Liting Yan*, Yanchao Zhao, Lingzhi Yang, Qiuju Fu, Dawei Li, Jun Zhang*, Xuebo Zhao*. Self-terminating surface reconstruction induced by high-index facets of delafossite for accelerating ammonia oxidation reaction involving lattice oxygen. Small, 2023, 2207727.

Shuo Zhang, Liting Yan*, Huimin Jiang, Yanchao Zhao, Lingzhi Yang, Qiuju Fu, Enyan Guo*, Jun Zhang, Xuebo Zhao*. Modulation of hydroxyl and nitrogenous group coadsorption induced by Ni and Cu doping on FeOOH for accelerating dehydrogenation in ammonia oxidation reaction. Science China Materials, 2023, 66, 2715–2725.

Huimin Jiang#, Shuo Zhang#, Liting Yan*, Yanlong Xing, Zhichao Zhang, Qiuju Zheng, Jianxing Shen, Xuebo Zhao*, Lianzhou Wang*. Stress-dispersed superstructure of Sn3(PO4)2@PC derived from programmable assembly of metal-organic framework as long-life potassium/sodium-ion batteries anodes. Advanced Science, 2023, 2206587.

2022年

Shuo Zhang, Liting Yan*, Huimin Jiang, Lingzhi Yang, Yanchao Zhao, Xue Yang, Yameng Wang, Jianxing Shen, Xuebo Zhao*. Facile fabrication of a foamed Ag3CuS2 film as an efficient self-supporting electrocatalyst for ammonia electrolysis producing hydrogen. ACS Applied Materials & Interfaces, 2022, 14, 9036–9045.

2021年

Shuo Zhang, Yanchao Zhao, Liting Yan*, Huimin Jiang, Xue Yang, Yameng Wang, Hexue Song, Xuebo Zhao*. Electrochemical ammonia oxidation reaction on defect-rich TiO nanofibers: Experimental and theoretical studies. International Journal of Hydrogen Energy, 2021, 46, 39208–39215.

Shuo Zhang, Pengcheng Dai, Haijun Liu, Liting Yan*, Hexue Song, Dandan Liu, Xuebo Zhao*. Metal-organic framework derived porous flakes of cobalt chalcogenides rooted in carbon fibers as flexible electrode materials for pseudocapacitive energy storage. Electrochimica Acta, 2021, 369, 137681.2020年

Shuo Zhang, Pengcheng Dai, Haijun Liu, Liting Yan*, Hexue Song, Dandan Liu, Xuebo Zhao*. Nanoantenna featuring carbon microtubes derived from bristle fibers of plane trees for supercapacitors in an organic electrolyte. ACS Applied Energy Materials, 2020, 3, 12627–12634.

Pengcheng Dai#, Shuo Zhang#, Haijun Liu, Liting Yan*, Xin Gu, Liangjun Li, Dandan Liu, Xuebo Zhao*. Cotton fabrics-derived flexible nitrogen-doped activated carbon cloth for high-performance supercapacitors in organic electrolyte. Electrochimica Acta, 2020, 354, 136717.