精细化工

各催化剂电化学ORR，OER，HER，NRR，CO2RR等反应的具体催化机制

1)Na Yang, Lanlan Peng, Li Li*, Jing Li, Qiang Liao, Minhua Shao, Zidong Wei*, Theoretical probing possible degradation mechanisms of FeNC catalyst during oxygen reduction reaction, Chemical Science 2021,12, 12476-12484 (IF=9.969；JCR分区：Q1)
2) Na Yang, Li Li*, Jing Li, Wei Ding and Zidong Wei*, Modulating the oxygen reduction activity of heteroatom-doped carbon catalysts via the triple effect: charge, spin density and ligand effect. Chemical Science 2018, 9 (26), 5795-5804. (IF=9.969；JCR分区：Q1)
3) Na Yang, Li Li*, Jing Li and Zidong Wei*, Modifying the sensibility of nonmetal-doped phosphorene by local or global properties. Physical Chemistry Chemical Physics 2019, 21 (9), 4899-4906. (IF=3.945；JCR分区：Q1)
4) Na Yang, Langlan Peng, Li Li*, and Zidong Wei*, Theoretical research on oxidation mechanism of doped carbon based catalysts for oxygen reduction reaction. Physical Chemistry Chemical Physics 2019, DOI:10.1039/C9CP04691G (IF=3.945；JCR分区：Q1)
5) Na Yang, Xinqun Zheng, Li Li*, Jing Li, Zidong Wei*, Influence of Phosphorus Configuration on Electronic Structure and Oxygen Reduction Reactions of Phosphorus-Doped Graphene. The Journal of Physical Chemistry C 2017, 121 (35), 19321-19328. (IF= 4.177；JCR分区：Q2)
6) Na Yang, Jun Wang, Guangping Wu, Li Li*, Wei Ding, Xueqiang Qi, Siguo Chen, Zidong Wei*, Density functional theoretical study on the effect of spinel structure reversal on the catalytic activity for oxygen reduction reaction. Scientia Sinica Chimica 2017, 47 (7), 882-890.
7) Zhaoyang Chen, Xiaozhi Su, Jie Ding, Na Yang*, Wenbin Zuo, Qinye He, Zhiming Wei, Qiao Zhang, Jian Huang, Yueming Zhai*, Boosting oxygen reduction reaction with Fe and Se dual-atom sites supported by nitrogen-doped porous carbon. Applied Catalysis B: Environmental, 2022, 308: 121206 (通讯作者，IF=24.319 JCR分区：Q1)
8)熊昆, 陈伽瑶, 杨娜*, 蒋尚坤, 李莉, 魏子栋*, 理论探究水溶液条件对TMNC催化氮还原性能的增强机制, 化学学报 2021, 79, 1138. （通讯作者，封面文章）
9)Qian Xue, Xueqiang Qi*, Tingting Yang, Jinxia Jiang*, Qi Zhou, Chuang Fu and Na Yang*, DFT Study on the C

2021年 主持 广东省青年优秀人才国际培养计划博士后项目《燃料电池阴极掺杂碳基类氧还原催化剂 失活机理的理论探究》 ；
2021年 主持 第70批博士后面上资助项目《掺杂碳基材料活性位结构调控工程在电催化CO2还原中的应用》 ；
2022年 主持 国家青年科学基金《掺杂碳基材料活性位调控电催化CO2还原到C1产品(非CO)研究》；
2022年作为主要完成人参与项目《碳基催化剂性能提升与催化作用机理研究》，并获“2022年度中国化工学会基础研究成果奖一等奖”。