男，博士，教授，南京工业大学化学化工学院，材料化学工程国家重点实验室。2004年获南京工业大学工学硕士学位，2008年获南京大学理学博士学位，2009年至2011年在日本九州大学先导材料化学研究所 从事 博士后研究工作， 2012年加入南京工业大学。在 Angew. Chem. Int. Ed., J. Am. Chem. Soc., Chem.-Eur. J.和J. Phys. Chem. C等国际学术期刊上发表SCI论文十余篇。现主持江苏省自然科学基金青年基金一项，教育部高等学校博士学科点专项科研基金一项，并承担科技部973计划子课题一项。主要研究方向为计算化学和理论催化，目前的研究兴趣包括分解水制氢和二氧化碳加氢转化等催化反应机理理论研究。

代表性论文：

1. Jun Li and K. Yoshizawa*. “Mechanistic Insight into the Cleavage of an Aromatic C–C Bond by Tungsten.” Chem. Eur. J., 2012, 18, 783.

2. Jun Li and K. Yoshizawa*. “Computational Evidence for Hydrogen Generation by Reductive Cleavage of Water and α−H Abstraction on a Molybdenum Complex.” Angew. Chem. Int. Ed., 2011, 50, 11972; Angew. Chem., 2011, 123, 12178.

3. Jun Li, T. Ishihara, and K. Yoshizawa*. “Theoretical Revisit of the Direct Synthesis of H2O2 on Pd and Au@Pd Surfaces: A Comprehensive Mechanistic Study.” J. Phys. Chem. C, 2011, 115, 25359.

4. Jun Li, A. Staykov, T. Ishihara, and K. Yoshizawa*. “Theoretical Study of the Decomposition and Hydrogenation of H2O2 on Pd and Pd@Au Surfaces: Understanding toward High Selectivity of H2O2 Synthesis.” J. Phys. Chem. C, 2011, 115, 7392.

5. Jun Li, Y. Shiota, and K. Yoshizawa*. “Metal−Ligand Cooperation in H2 Production and H2O Decomposition on a Ru(II) PNN Complex: the Role of Ligand Dearomatization−Aromatization.” J. Am. Chem. Soc., 2009, 131, 13584.

6. Jun Li and Shuhua Li*. “Energetics and Mechanism of Dinitrogen Cleavage at a Mononuclear Surface Tantalum Center : A New Way of Dinitrogen Reduction.” Angew. Chem. Int. Ed., 2008, 47, 8040; Angew. Chem., 2008, 120, 8160.

7. Jun Li and Shuhua Li*. “DFT Study toward Understanding the High Activity of Fe-Exchanged Zeolites for the Fast Selective Catalytic Reduction of Nitrogen Oxides with Ammonia.” J. Phys. Chem. C, 2008, 112, 16938.

8. Jun Li and Shuhua Li*. “New Insight into Selective Catalytic Reduction of Nitrogen Oxides by Ammonia over H-Form Zeolites: A Theoretical Study.” Phys. Chem. Chem. Phys., 2007, 9, 3304.