一、第一作者及通讯作者论文（*通讯作者，#共同一作）
9. Chen, X., Xie, Z., Wang, J., Zhao, W., Yan, X., X Chen, Z Xie, J Wang, W Zhao, X Yan, Z Liu*, Cai Ning*, T Lu* (2025). Obtaining (BN) 4C10 with excellent optoelectronic properties by screening boron-nitrogen analogues of cyclo [18] carbon,(BN) nC (18-2n)(n= 1–9).,CEJ, Submitted.
8. Cai Ning*.,Yu,Yu., Zhihong Yang, Yunhui Wang.*, Weidong Shi*.(2024) Boron Nitride Nanotube Confining Selected Platinum Group Metal (PGM = Pd and Pt) Single Atoms Catalysts for Efficient CO Oxidation: Theoretical Insight into Confinement Effect. Chemical Physics Letters, 141637 （JCR Q1, 三区，IF:2.8）
7. Qichao Chen#, Cai Ning#, Jiawen Fang#, Boyu Ping, Guiyang Li, Lingqiao Kong, Jiayi Chen, ZhengMing Sun, Jinlan Wang, Qiushi Ruan*, Xianghong Niu*, Li Tao*. (2024). Redirecting the electron flow to coordinate oxidation and reduction reactions for efficient photocatalytic H2O2 production. Chemical Engineering Journal, 487, 150581.（一区，IF:13.3）
6. Cai Ning, Qun Ji, Yilei Wu, Jinlan Wang*, Ming-Gang Ju*(2023). Disorder on Mixed Cation Halide Perovskite for Photovoltaic Applications. The Journal of Physical Chemistry Letters, 14(36), 8034-8042.（自然指数期刊，二区，IF:4.8）
5. Cai Ning*, Xin Tong, Zhaoshun Meng, Ruifeng Lu, Huilong Dong* (2023). Confinement effect induced efficient electro-catalytic reduction of dinitrogen in transition metal atom endohedral ultra-thin C4N3 nanotubes. Applied Surface Science, 637, 157888.（一区,IF：6.3）
4. Juan Xie#, Cai Ning#., Qinqin Liu, Zhongti Sun*., Juan Yang*., Huilong Dong*. (2022). Computational Studies on Holey TMC6 (TM= Mo and W) Membranes for H2 Purification. Membranes, 12(7), 709.（JCR Q2, 四区，IF:4.2）
3.Cai Ning, Chuanyun Xiao*, Ruifeng Lu*, Panwang Zhou*. (2020). Whether the excited state intramolecular proton transfer of 1-hydroxy-2-acetonaphthone will happen?. Journal of Luminescence, 217, 116825.（二区，3.6）
2. Cai Ning, Yadong Zhang, Jing Wang, Haiqi Gao, Chuanyun Xiao*, Zhaoshun Meng*, Huilong Dong*. (2020). Theoretically designed two-dimensional γ-C4O as an effective gas separation membrane for hydrogen purification. Physical Chemistry Chemical Physics, 22(35), 19492-19501.（封面文章，二区，3.68）
1. Cai Ning, Yadong Zhang, Zhaoshun Meng, Chuanyun Xiao*, Ruifeng Lu* (2019). Computational screening of single non-noble transition-metal atoms confined inside boron nitride nanotubes for CO oxidation.The Journal of Physical Chemistry C, 124(3), 2030-2038.（封面文章，二区，4.19）
二、其他合作论文
7. Ji, Qun; Fang, Qianglong; Wei, Xiaoli; Zhang, Yehui ; Wu, Yilei; Gao, Xinying; Li, Xiaoyan; Ning, Cai; Ju, Ming-Gang, Origin and Suppression of Non-radiative Recombination in Inorganic Halide Perovskite, (2025) Nano Letters, 10.1021/acs.nanolett.5c00849,(二区，IF:9.6)
6. Xiangyu Wang, Tingbo Zhang, Jiawen Fan, Tong Wei*, Cai Ning，Liwei Wu, Jiao Cui. High-entropy perovskite oxides integrating sunlight-driven photochromic and upconversion manipulation for power-independent intrusion detection monitoring.(2024) Laser & Photonics Reviews, 2400901（一区，IF：9.8）
5. Qianglong Fang, Cai Ning, Ming-Gang Ju*. (2023). Bimetallic catalysts for urea electrosynthesis. Chem Catalysis, 3(6), 100668. （JCR Q1，IF：11.5）
4. Huilong Dong, Cai Ning, Gang Yang, Hongmei Ji, Youyong Li*. (2021). Single-side functionalized graphene as promising cathode catalysts in nonaqueous lithium–oxygen batteries. Nanoscale, 13(29), 12727-12737. （二区，IF:8.31）
3. Haiqi Gao, Qinghao Xu, Jing Wang, Cai Ning, Yuzhen Liu, Yannan Xie*, Ruifeng Lu*. (2021). Beyond the pore size limitation of a nanoporous graphene monolayer membrane for water desalination assisted by an external electric field. The Journal of Physical Chemistry Letters, 13(1), 258-266. (二区，IF:6.89)
2. Yadong Zhang, Yuzhen Liu, Zhaoshun Meng, Cai Ning, Chuanyun Xiao, Kaiming Deng, Purusottam Jena*, Ruifeng Lu*. (2018). Confinement boosts CO oxidation on an Ni atom embedded inside boron nitride nanotubes. Physical Chemistry Chemical Physics, 20(26), 17599-17605. (封面文章，二区，IF:3.58)
1. Panwang Zhou, Cai Ning, Ahmed Alsaedi, Keli Han*. (2016). The effects of heteroatoms Si and S on tuning the optical properties of rhodamine‐and fluorescein‐based fluorescence probes: a theoretical analysis. ChemPhysChem, 17(19), 3139-3145.（导师一作本人二作，三区，IF:3.08）
三、会议论文
1. 第四届全国过程模拟与仿真学术会议，邀请报告。C4N3及BNNT纳米管环境中的单原子催化的限域效应机理探究， 宁偲，周正声，施伟东
