1．Mingxin Qin, Lanlan Chen, Wenhua Zhang*, Jinlong Yang, A Self-Consistent Framework for Tailored Single-Atom Catalysts in Electrocatalytic Nitrogen Reduction J. Phys. Chem. Lett.  15, 1089 (2024). 

2. Han Lei#, Wenhua Zhang*; Jinlong Yang* Theoretical Insights into Enhancing Catalytic Performance of Al-Cu Alloy for CO₂ Electroreduction toward Ethene Production J. Phys. Chem. Lett. 15, 5643 (2024).

3. Zhiqiang Bai, Wenhua Zhang*, Yufang Liu, Enhanced nitrogen electroreduction performance by the reorganization of local coordination environment of supported single atom on N(O)-dual-doped graphene Nano Res.  16, 9099 (2023). 

4. Lifu Zhang, Qiquan Luo, Shuanglin Hu, Zhenpeng Hu, Wenhua Zhang*, J. L. Yang, Enhanced Electron–Hole Separation in Phosphorus-Coordinated Co Atom on g-C₃N₄ toward Photocatalytic Overall Water Splitting, J. Phys. Chem. Lett.  13, 11961-11967 (2022). 

5. Zhanwu Lei^#, Wenbin Cai^#, Yifei Rao^#, Kuan Wang, Yuyuan Jiang, Yang Liu, Xu Jin, Jianming Li, Zhengxing Lv, Shuhong Jiao*,  Wenhua Zhang*, Pengfei Yan, Shuo Zhang, Ruiguo Cao*, Coordination modulation of iridium single-atom catalyst maximizing water oxidation activity Nat. Commun. 13, 24 (2022). 

6. Si Chen^#, Bingbing Gong^#, Jian Gu, Yue Lin, Bing Yang, Qingqing Gu, Rui Jin, Qin Liu, Wenxiang Ying, Xianxian Shi, Wenlong Xu, Lihua Cai, Yin Li,  Zhihu Sun*,  Shiqiang Wei, Wenhua Zhang*, Junling Lu*, Dehydrogenation of Ammonia Borane by Platinum-Nickel Dimers: Regulation of Heteroatom Interspace Boosts Bifunctional Synergetic Catalysis　Angew. Chem. Int. Ed.  61，e202211919 (2022).

7. Yue Xin^#, Sanmei Wang^#, Haibo Yuan, Tingting Hou, Wenkun Zhu, Yuexiao Liu, Yuan Yao, Wenhua Zhang*, Shuquan Liang, Liangbing Wang* Atomic-level insights into the activation of nitrogen via hydrogen-bond interaction toward nitrogen photofixation　CHEM  7，2118-2136 (2021). 

8. Wenhua Zhang^#, Qiang Fu^#, Qiquan  Luo^#, Li Sheng, Jinlong Yang*, Understanding Single-Atom Catalysis in View of Theory, JACS Au 1, 2130 (2021).

9．Wanghui Zhao^#, Lifu Zhang^#, Qiquan Luo, Wenhua Zhang*, Sean Smith, Jinlong Yang*  Single Mo₁(Cr₁) Atom on Nitrogen-Doped Graphene Enables Highly Selective Electroreduction of Nitrogen into Ammonia　ACS Catal. 9, 3419-3425 (2019). 

10. Hongliang Li^#, Liangbing Wang^#, Yizhou Dai, Zengtian Pu, Zhuohan Lao, Yawei Chen, Menglin Wang, Xusheng Zheng, Junfa Zhu, Wenhua Zhang*, Rui Si, Chao Ma, Jie Zeng*, Synergetic   interaction between neighbouring platinum monomers in CO₂ hydrogenation　Nat. Nanotechnol.  13, 411 (2018). 

11. Shan Gao^#, Zhongti Sun^#, Wei Liu, Xingchen Jiao, Xiaolong Zu, Qitao Hu, Yongfu Sun*, Tao Yao, Wenhua Zhang*, Shiqiang Wei, Yi Xie*, Atomic layers confined vacancies for atomic-level insights into carbon dioxide electroreduction, Nat. Commun. 8，14503（2017).

12．Liangbing Wang^#, Wenbo Zhang^# , Shenpeng Wang, Zehua Gao, Zhiheng Luo, Xu Wang, Rui Zeng, Aowen Li, Hongliang Li, Menglin Wang, Xusheng Zheng, Junfa Zhu, Wenhua Zhang*, Chao Ma*, Si Rui, Jie Zeng* Atomic-level insights in optimizing reaction paths for hydroformylation reaction over Rh/CoO single-atom catalyst　Nat. Commun. 7, 14036 (2016).