1.Du, Jiguang*;Shi, Mingyang;Zhou, Xuying; Cheng, Xiujuan; Cheng, Kunyang; Jiang, Gang, Monolayer Fullerene Networks for High-Performance Lithium-Sulfur and Sodium-Sulfur Batteries,ACS Catalysis, 2025, 15(11), 9949-9961.
2.Cheng, Kunyang; Cheng, Xiujuan; Shi, Mingyang; Zhou, Xuying; Deng, Jiahao; Jiang, Gang;Du, Jiguang*, Deep-learning interatomic potentials of the ε-ZrX2series (X = H, D, and T),Phys. Rev. E,2025, 111, 055303.
3.Zhou, Xuying;Cheng, Kunyang;Cheng, Xiujuan;Shi, Mingyang;Jiang, Gang;Du, Jiguang*,Removal of Uranyl(VI) with Two-Dimensional Mg(OH)2-Based Heterojunctions: A Density Functional Theory Insight,J. Phys. Chem. C, 2024, 128, 14947-14960.
4.Du, Jiguang*;Shi, Mingyang;Jiang, Gang,Coating of ThO2(111) surface with two-dimensional sheets for potential corrosion protection,Surf. Coat. Tech., 2024, 481, 130651.
5.Cheng, Xiujuan; Zhou, Xuying; Shi, Mingyang; Cheng, Kunyang; Jiang, Gang;Du, Jiguang*, The promising 2D monolayers supported single f-electrons atom (Ce, Th, and U) catalysts in the ammonia synthesis via electrochemical nitrogen reduction reaction,Appl. Phys. Lett.,2024, 26, 11631-11640.
6.Cheng, Kunyang; Shi, Mingyang; Cheng, Xiujuan; Zhou, Xuying; Zhang Chuanyu; Jiang, Gang;Du, Jiguang*, Metal-decorated M-graphene for high hydrogen storage capability and reversible hydrogen release,Fuel,2024, 374,132405.
7.Shi, Mingyang; Jiang, Gang; Cheng, Xiujuan; Zhou, Xuying;Du, Jiguang*,The capture performance of An-MOF for fission gases: Insight from DFT and AIMD calculations,Micropor. Mesopor. Mat., 2023, 363, 112838.
8.Du, Jiguang*; Shi, Mingyang; Jiang, Gang,Nb3SiT6(T = S, Se, and Te) monolayers with the highly efficient catalytic performance for lithium-sulfur batteries: Insights from a first-principles study,Appl. Phys. Lett., 2023, 123, 033901.
9.Wang, Zhiguo; Shen, Huiyuan; Yu, Ruolin; Gao, Jiefeng; Zhang, Guoqiang; Xu, Chun; Lei, Jun;Du, Jiguang*; Xu, Jiazhuang*; Li, Zhongming, Universal production of functionalized 2D nanomaterials via integrating glucose-assisted mechanochemical exfoliation and cosolvent-intensified sonication exfoliation,Nano Research, 2023, 16, 5033-5041.
10.Du, Jiguang*; Jiang, Gang; Chen Deliang,High Coordination Numbers of Actinides (An) in AnC13+Rings (An = Th and U),Inorg. Chem., 2023, 62(49), 20488-20495.