一、第一作者及通讯作者论文（*通讯作者，#共同一作）

18. Yanhong Lin, Zhengsheng Zhou, Wenwen Zhao, Cai Ning* and Zeyu Liu*Metal identity and ligand coordination regulate Li2S cleavage in Truxone-based frameworks. (2027)  Chemical Communications. Major Revision. (SCI二区， IF：4.298)共同通讯

17. Xinyu Lu, Zhongkai Xie, Hailing Huo, Yanhong Lin, Yang Chao, Junhao He, Zhengsheng Zhou, Qiankun Gao, Cai Ning*, Yuanyong Huang,*, Weidong Shia,*（2027）Sulfur-vacancy-triggered surface hydroxylation in ZnIn2S4 enables chloride-tolerant photocatalytic H2 evolution from natural seawater. Applied Catalysis B: Environment and Energy . Major Revision. (SCI一区， IF:19.696) 共同通讯

16. Cai Ning, Hongyun Luo, Jun He, Yuxuan Wang, Wenjin Cheng, Min Yao, Xiaojie  Wu, Yuanyong Huang, Hailing Huo, Zhongkai Xie*, and Weidong Shi*Vacancy-induced magneto-responsive heteronuclear single-metal oxides for enhanced photocatalytic CO2 reduction to C2H4, Journal of Energy Chemisty. 10.1016/j.jechem.2026.09.082 (SCI一区, IF:15.6) 第一作者

15. Thangaraj Thiruppathiraja, Zhifeng Jiang, Baker Rhimi, Cai Ning*, Qiang Ma（2026） High-Efficiency Photocatalytic CO2 Reduction on Carbon-Doped Boron Nitride Triangulene Surface: A DFT Study. Global Environmental Science. (新刊) 共同通讯。

14、Yuanyong Huang#, Cai Ning#, Xinyu Lu, Yang Chao, Junhao He, Qiankun Gao, Yu Yu, Zhongkai Xie, Hailing Huo, and Weidong Shi* (2026) Constructing Interfacial Charge Transfer Channels via Plasmon-Mediated Dual Excitation for Enhanced NIR-Driven H2 Production. Chemical Science. 10.1039/d6sc01125j. (SCI一区，自然指数，7.5) 共同一作

13、 Jun He#, Cai Ning#, Hongyun Luo, Ting Zhou, Zhihong Wang, Lizhi Tang, Peiyi Cao, Zhengsheng Zhou, Zhongkai Xie*, Min Chen*, and Weidong Shi* （2026）Embed Oxygen-Tolerant Active Site for Enhanced Photocatalytic CO2 Reduction in Oxygenated Atmosphere. ACS Catalysis. https://doi.org/10.1021/acscatal.5c09227（SCI一区，IF:13.1）共同一作12、 Dongbo Xu, Song Zhang, Cai Ning*, Xiaoying Gao, Weidong Shi* （2026）The Ni-doping Vanadium Borate Modification on BiVO4 Photoelectrode Surface for Improving Charge Transfer and  Photoelectrochemical Water Splitting. Inorganic Chemistry Frontiers https://doi.org/10.1039/D6QI00144K. (SCI一区，IF：6.4) 共同通讯

11、 Chang-Feng Wang#, Haojin Li#, Cai Ning#, Lang Wang,Qing-Feng Luo, Telun Li, Hao-Fei Ni, Zhongfu An,Zhi-Xu Zhang, Jinlan Wang, Da-Wei Fu, Ming-Gang Ju,* Kui Zhao,* and Yi Zhang* （2026）Eco-Friendly Preparation of High-Quality Lead-Free Halide Ferroelectric Solid-Solution towards High-Performance X-Ray Detection.Angew. Chem. Int. Ed. e25694（一区TOP, IF：17，Inside Front cover）共同一作

10. Ye Bai, Hong Liu, Xin Wang, Tixuan Xia, Yingchen Yang, Jinhao Chen, Jinhui Hao, Cai Ning*, Weidong Shi*(2026) Efficient CO2 Electroreduction to Multi-Carbon Products by Nanoconfinement Strategy over Cu Catalyst at Industrial Current Density. Science China Materials.https://doi.org/10.1007/s40843-025-3818-4. （一区TOP，IF:7.4）共同通讯

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).,Chemical Enginnering Journal,  515, 163236.(一区TOP，IF:13.4) 共同通讯

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）第一作者，共同通讯

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）共同一作

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，一区，IF:4.8）第一作者

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）第一作者，共同通讯

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, 三区，IF:4.2）共同一作

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）第一作者

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）第一作者

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）第一作者

二、其他合作论文

• 14. Jiangfei Yuan#, Deren Liu#, Zhengsheng Zhou#, Qin Luo, Cai Ning, Yuzhen Liu, Haiqi Gao. (2027) Desalination performance through polarized conical channels of multilayer boron nitride nanosheets. International Journal of Molecular Sciences. Major Revision.(JCRQ1, IF:5.597)   

• 13. Zhengkun Zhang, Chunyan Chen, Cai Ning, Runze Geng, Tianfeng Zhu, Mengsha Chen, Yu Yu*, Weidong Shi* (2027) Electrochemically Driven Vanadium-Mediated Phase-Interface Reconstruction for Efficient and Durable Seawater Oxidation. Nano Research. (SCI一区，IF:9.404)

• 12. You Wu, Qi Zhu, Mengya Wang,Mengdie Chen,Ming Chen, Ke Kang,Cai Ning, Yong Shen,  Ji Cao, Jiaan Shao, * Haiying Zhu,  * Huilong Dong, * Wenteng Chen*. A Peripheral Sulfonium Moiety Engineering Strategy to Enhance AIEgen-based Antitumor Photodynamic Therapy.(2026) Journal of Medicinal Chemistry（一区，IF:7.305）

• 11. Xusheng Suo, Jie Tao, Aihua Yuan,*, Hu Zhou, Jingbo Xu, Cai Ning, Chunfeng Meng,* Regulation of conductive and lithiophilic Cu-benzenehexathiol interlayer for stable lithium metal batteries （2026）ACS Applied Energy Materials（三区，IF:5.5）

• 10. Sijie Lin, Cai Ning, Sijie Xiao, Wenjin Cheng, Zhongkai Xie Weidong Shi. (2026 )Advanced MOFs-based materials as platforms for carbon dioxide capture and simultaneous photocatalytic conversion.ENGINEERING Energy，10.1007/s11708-026-1077-x（SCI三区，IF:8.1）

• 9 Hailing Huo, Zikun Liang*, Yuanyong Huang, Zhongkai Xie,  Cai Ning, Erjun Kan*,Ang Li*, Weidong Shi*. Fermi-level-gradient-driven unidirectional electron transfer in TiO2/Au-Pt for broad-spectrum photocatalytic hydrogen production, (2026) Chinese Chemical Letters.(一区，8.9) https://doi.org/10.1016/j.cclet.2026.112447

• 8 Feng Li, Xiaoqing Yang, Xiaoying Gao, Cai Ning, Qile An, Dongbo Xu, Weidong Shi Preparation of NiCoOx modified on Mo–BiVO4 photoelectrode surface for enhancing charge transfer in photoelectrochemical water splitting.(2025) International Journal of Hydrogen Energy. https://doi.org/10.1016/j.ijhydene.2025.152786 （二区， IF:8.3）

• 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 25 (14), 5875-5880,(二区，自然指数，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. （一区、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. 2026国际可再生、可持续能源和智能技术会议分论坛主席 中国·张家界 2026年10月30-11月1日。

2. 2025年人工智能在凝聚态物理中的应用研讨会，邀请报告，南京。无序度对钙钛矿光电性质的调控，

3. 2024年第四届全国过程模拟与仿真学术会议，邀请报告，广州。C4N3及BNNT纳米管环境中的单原子催化的限域效应机理探究。

4. 2015年分子反应动力学国际会议，墙报，西安。Whether the excited state intramolecular proton transfer of 1-hydroxy-2-acetonaphthone will happen?.