课题组研究方向：

1. 团簇合成、结构与反应性研究

代表性工作：

• Lili Zhang, Mengdi Guo, Jian Zhou, Cong Fang, Xiaoyan Sun*. Benchmark Models for Elucidating Ligand Effects: Thiols Ligated Isostructural Cu6 Nanoclusters. Small 2023, 19, 2301633.

• Qing Wang, Dingding Lv, Jian Zhou, Detong Kong, Shanshan Lin, Lili Zhang, Zhen-An Qiao, Yuxiao Ding*, Xiaoyan Sun*. Unraveling the Local Coordination Effect of Cu-N-C Single-Atom Catalyst towards CO Adsorption via Gas-Phase Cluster Model Approach. Chem. Sci. 2025, DOI: 10.1039/D5SC01982F.

2. 团簇相关催化过程及反应机理研究

代表性工作：

• Ting Zhang, Haishan Su, Xianwen Zhang, Yang Zhao, Jian Zhou, Lili Zhang, Shengfa Ye, Yuxiao Ding*, Xiaoyan Sun*. Few-Atom Copper Cluster Facilitates H₂O₂ Activation to Promote Selective Oxidation of Benzene to Phenol. J. Am. Chem. Soc. 2025, 147, 12652–12663.

3. 质谱仪器与方法学开发、原位谱学表征

代表性工作：

• Jian Zhou, Qing Wang, Gongkui Cheng, Wei Shen, Richard N. Zare*, Xiaoyan Sun*. Charged Water Microdroplets Enable Dissociation of Surrounding Dioxygen. J. Am. Chem. Soc. 2025, 147, 10916–10924.

4. 机器学习与团簇数据库

代表性工作：

• Cong Fang, Zhuang Wang, Ruixian Guo, Yuxiao Ding, Sicong Ma*, Xiaoyan Sun*. Machine Learning Potential for Copper Hydride Clusters: A Neutron Diffraction-Independent Approach for Hydrogen Location. J. Am. Chem. Soc. 2025, 147, 10750-10757.