1. Bo Liu, Qianglin Hu, Tianyu Gao, Peiguang Liao, Yufeng Wen, Ziheng Lu, Jiong Yang, Siqi Shi*, Wenqing Zhang*. Computational insights into the ionic transport mechanism and interfacial stability of the Li2OHCl solid-state electrolyte. Journal of Materiomics, 2022, 8:59-67. 2. Bo Liu*, Xiaowen Shi, Lanhui Gu, Yufeng Wen, Xinyuan Sun, Wen Ruan, Shenlin Zhou, Daguo Jiang, Xiang Han*, Wenqing Zhang, and Siqi Shi*. Insights into LiMXO4F (M-X=Al-P and Mg-S) as Cathode Coatings for High-Performance Lithium-Ion Batteries.ACS Applied Materials & Interfaces,2022, 14:44859-44868. 3. Bo Liu, Jian Liu, Jiong Yang, Da Wang, Caichao Ye, Deyu Wang, Maxim Avdeev, Siqi Shi*, Jihui Yang* and Wenqing Zhang*. Ab initio thermodynamic optimization of Ni-rich Ni-Co-Mn Oxide Cathode Coatings. Journal of Power Sources, 2020, 450:227693. 4. Bo Liu, Da Wang, Maxim Avdeev, Siqi Shi*, JiongYang* and Wenqing Zhang*. High-throughput Computational Screening of Li-containing Fluorides for Battery Cathode Coatings. ACS Sustainable Chem. & Eng., 2020, 8(2):948-957. 5. Bo Liu, Jiong Yang*, Hongliang Yang, Caichao Ye,Yuanqing Mao, Jiping Wang, Siqi Shi, Jihui Yang* and Wenqing Zhang*. Rationalize the interphase stability of Li|doped-Li7La3Zr2O12 via automated reaction screening and machine learning. Journal of Materials Chemistry A, 2019, 7:19961-19969. 6. Hong Ma, Jiaqi Yu, Minfeng Chen, Xiang Han, Jizhang Chen,* Bo Liu* and Siqi Shi*, Amino-Enabled Desolvation Sieving effect realizes dendrite-inhibiting thin separator for durable aqueous zinc-ion batteries, Advanced Functional Materials, 2023, 33:2307384. 7.Xiang Han, Jizhang Chen*, Minfeng Chen, Weijun Zhou, Xiaoyan Zhou, Guanwen Wang, Ching-Ping Wong*, Bo Liu*, Linshan Luo, Songyan Chen, Siqi Shi. Induction of planar Li growth with designed interphases for dendrite-free Li metal anodes. Energy Storage Materials, 2021, 39:250-258. 8. Xiang Han, Weijun Zhou, Minfeng Chen, Linshan Luo, Lanhui Gu, Qiaobao Zhang, Jizhang Chen*, Bo Liu*, Songyan Chen*, and Wenqing Zhang. Liquid-phase sintering enabling mixed ionic-electronic interphases and free-standing composite cathode architecture toward high energy solid-state battery. Nano Research, 2022, 15(7):6156-6167. 9. Min Xu, Ming Yang, Minfeng Chen, Lanhui Gu, Linshan Luo, Songyan Chen, Jizhang Chen*, Bo Liu*, Xiang Han*. Enabling structural and interfacial stability of 5 V spinel LiNi0.5Mn1.5O4 cathode by a coherent interface. Journal of Energy Chemistry, 2023, 76:266-276. 10. Min Xu, Bifu Sheng, Yong Cheng, Minfeng Chen, Bo Liu*, Jizhang Chen*, Xiang Han*, Ming-Sheng Wang, and Siqi Shi. One-step calcination synthesis of interface-coherent crystallized and surface-passivated LiNi0.5Mn1.5O4 for high-voltage lithium-ion battery. Nano Research, 2024, 17(5):4192-4202. 11. Xiang Han, Weijun Zhou, Jizhang Chen*, Guanwen Wang, Bo Liu*, Linshan Luo, Songyan Chen, Qiaobao Zhang, Siqi Shi, Ching-Ping Wong*, Interfacial nitrogen engineering of robust silicon/MXene anode toward high energy solid-state lithium-ion batteries. Journal of Energy Chemistry, 2022, 67:727-735. 12. Bingbin Wu, Shanyu Wang, Joshua Lochala, David Desrochers, Bo Liu, Wenqing Zhang, JihuiYang*, Jie Xiao*. The role of the solid electrolyte interphase layer in preventing Li dendrite growth in solid-state batteries, Energy Environ. Sci., 2018, 11(7): 1803-1810. 13. Weijun Zhou, Minfeng Chen, Yuhui Quan, Jing Ding, Hanlin Cheng, Xiang Han, Jizhang Chen*, Bo Liu*, Siqi Shi, Xinwu Xu*, Stabilizing zinc deposition through solvation sheath regulation and preferential adsorption by electrolyte additive of lithium difluoro(oxalato) borate, Chemical Engineering Journal, 2023, 457:141328. 14. Jizhang Chen*, Weijun Zhou, Yuhui Quan, Bo Liu*, Ming Yang, Minfeng Chen, Xiang Han, Xinwu Xu, Peixin Zhang*, Siqi Shi, Ionic liquid additive enabling anti-freezing aqueous electrolyte and dendrite-free Zn metal electrode with organic/inorganic hybrid solid electrolyte interphase layer, Energy Storage Materials, 2022, 53:629–637. 15. Yuhui Quan, Ming Yang, Minfeng Chen, Weijun Zhou, Xiang Han, Jizhang Chen*, Bo Liu*, Siqi Shi, Peixin Zhang*, Electrolyte additive of sorbitol rendering aqueous zinc-ion batteries with dendrite-free behavior and good anti-freezing ability, Chemical Engineering Journal, 2023, 458:141392. 16. Jizhang Chen*, Minfeng Chen, Weijun Zhou, Xinwu Xu, Bo Liu*, Wenqing Zhang, and Chingping Wong*, Simplified Synthesis of Fluoride-Free Ti3C2Tx via Electrochemical Etching toward High Performance Electrochemical Capacitors, ACS Nano, 2022, 16:2461-2470. 17. Bo Liu*, Piguang Liao, Xiaowen Shi, Yufeng Wen, Qingdong Gou, Meidong Yu, Shenlin Zhou and Xinyuan Sun. Theoretical insights into interfacial stability and ionic transport of Li2OHBr solid electrolyte for all solid-state batteries. RSC Advances, 2022, 12:34627-34633. 18. Bo Liu*, Tianyu Gao, Peiguang Liao, Yufeng Wen, Mingjia Yao, Siqi Shi* and Wenqing Zhang. Metallic VS2/graphene heterostructure as an ultra-high rate and high-specific capacity anode material for Li/Na-ion batteries. Phys. Chem. Chem. Phys., 2021, 23:18784–18793. 19. Sitong Liu, Bo Liu*, Meidong Yu, Hanyu Gao, Haipeng Guo, Daguo Jiang, Shenbo Yang, Yufeng Wen* and Yabei Wu. First principles study of a triazine-based covalent organic framework as a high-capacity anode material for Na/K-ion batteries. Phys. Chem. Chem. Phys., 2024, 26:1376-1384. 20. Xianyue Wang, Bing He, Bo Liu, Maxim Avdeev, and Siqi Shi. A Database of Electrochemical Stability Windows Containing over 1500 Solid-State Inorganic Compounds. Advanced Functional Materials, 2024, 34(44): 2406146. 21. Jingxuan Yu, Minfeng Chen, Bo Liu, Hong Ma, Jizhang Chen,* and Ching-Ping Wong, Zinc Monofluorophosphate: a New Zinc-Ion Conductor for Constructing Solid Electrolytes and In-Situ Modifying Zinc Metal Electrodes, Advanced Functional Materials, 2025, 2423309. 22. Jiaqi Yu, Hong Ma, Qinghua Tian, Bo Liu,* and Jizhang Chen*, Charge-Complementary Hydrogen-Bonded Complex Separator for Realizing Dendrite-Free Aqueous Zinc-Ion Batteries, ACS Sustainable Chemistry & Engineering 2025 13 (11), 4580-4589.
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