- 200. Lei Liu, Ke Xu, Weiyi Wang*, and Qunxiang Li*, Giant rectification ratio for conjugation-group terminated alkanethiolate single-molecule diode based on quantum interference (submitted).
- 199. Jianing Wang, Jie Meng, Weiyi Wang*, and Qunxiang Li*, High thermoelectric figure of merit in nonplanar graphene nanoribbons with periodic divacancies (submitted).
- 198. Ruoting Yin#, Xinyong Meng#, Xinjing Zhao#, Jianing Wang#, Xiaoqing, Wang, Qi Chen, Jie Meng, Zhengya Wang, Yifan Liang, Yuanzhi Tan, Bin Li, Wei Hu, Qunxiang Li, Shijing Tan, Chuanxu Ma*, Jinlong Yang, and Bing Wang*, Tailoring Near Fermi-Level Topological Flatbands in Clar’s Goblet Graphene Nanoribbons through Regioselective Cyclization of Five-Membered Rings,Journal of the American Chemical Society, 147, 34303-34315 (2025) ( https://doi.org/10.1021/jacs.5c03736).
- 197. Chao Jia, Xingxing Li*, and Qunxiang Li*,Two-dimensional Ruddlesden-Popper phase hydride double perovskite A4NiVH8 (A = Na, K, Rb): ferromagnetic semiconductors with high Curie temperatures, Small Methods, e01380 (2025) (https://doi.org/10.1002/smtd.202501380).
- 196. Seung-Hyeon Kim, Runnan Guan*, Jiwon Gu, Yanhua Shao, Qiannan Zhao, Li Sheng, Jae Seong Lee, Se Jung Lee, Jae-Hoon Baek, Changqing Li, Jian Li, Qunxiang Li*, Hankwon Lim*, and Jong-Beom Baek*, Separation-Free High-Purity Hydrogen Production via the Mechanochemical Ammonia–Silicon Reaction under Mild Conditions, Journal of the American Chemical Society, 147,32035-32044 (2025) (https://doi.org/10.1021/jacs.5c10245)
- 195. Runnan Guan#, Li Sheng#, Changqing Li#, Jiwon Gu#, Jeong-Min Seo, Boo-Jae Jang, Seung-Hyeon Kim, Jiwon Kim, Hankwon Lim*, Qunxiang Li*, and Jong-Beom Baek*, Mechanochemical carbon dioxide capture and conversion, Nature Nanotenhnology, 20, 1247–1253 (2025)(https://doi.org/10.1038/s41565-025-01949-6)
- 194. Lei Wang, Xiaofeng Liu*, Qunxiang Li*, Jinlong Yang, and Wei Hu*, Revealing the photocatalytic dissociation of water molecules on rutile TiO2 surface via hybrid functional based linear response time-dependent density functional theory, Chemical Science, 16, 17970-17970 (2025) (https://doi.org/10.1039/D5SC02736E)
- 193. Jing Huang, Yiting Zhuo, Mingdi Yang*, Weiyi Wang*, and Qunxiang Li*, Robust spin-filtering and current-switching in a photochromic Fe(II) spin-crossover complex,Nanoscale, 17, 17613–17620 (2025) (DOI https://doi.org/10.1039/D5NR00781J)
- 192. Yifan Liang#, Jianing Wang#, Ruoting Yin, Zhengya Wang, Xiaoqing Wang, Jie Meng, Shijing Tan, Chuanxu Ma*, Qunxiang Li, and Bing Wang*,Pyrolysis conversion of crown-ether-based covalent networks to kagome metal-organic frameworks on Au(111) and Ag(111),Carbon Trends 19, 100474 (2025) (https://doi.org/10.1016/j.cartre.2025.100474)
- 191. Linjie Chen, Zhi Li, Qunxiang Li,* Qijing Zheng,* and Jin Zhao*, Spin Valley Dynamics Entangled with Optical Fields, Phonons, and Spin-Orbit Coupling in Monolayer MoSe2, Advanced Optical Materials 2403069 (2025) (https://doi.org/10.1002/adom.202403069)
- 190. Mingchun Guo#, Qiangqiang Meng#, Mingliang Gao, Lirong Zheng, Qunxiang Li*, Long Jiao*, and Hailong Jiang*, Single-Atom Pt Loaded on MOF-Derived Porous TiO2 with Maximized Pt Atom Utilization for Selective Hydrogenation of Halonitro-benzene, Angewandte Chemie International Edition, 63, e202418964, (2025) (https://doi.org/10.1002/anie.202418964).