Isolated diatomic Zn-Co metal-nitrogen/oxygen sites with synergistic effect on fast catalytic kinetics of sulfur species in Li-S battery

doi:10.1016/j.jechem.2022.12.050

Abstract

Abstract: Lithium-sulfur batteries are severely restricted by low electronic conductivity of sulfur and Li₂S, shuttle effect, and slow conversion reaction of lithium polysulfides (LiPSs). Herein, we report a facile and high-yield strategy for synthesizing dual-core single-atom catalyst (ZnCoN₄O₂/CN) with atomically dispersed nitrogen/oxygen-coordinated Zn-Co sites on carbon nanosheets. Based on density functional theory (DFT) calculations and LiPSs conversion catalytic ability, ZnCoN₄O₂/CN provides dual-atom sites of Zn and Co, which could facilitate Li⁺ transport and Li₂S diffusion, and catalyze LiPSs conversion more effectively than homonuclear bimetallic single-atom catalysts or their simple mixture and previously reported single-atom catalysts. Li-S cell with ZnCoN₄O₂/CN modified separator showed excellent rate performance (789.4 mA h g^-1 at 5 C) and stable long cycle performance (0.05% capacity decay rate at 6C with 1000 cycles, outperforming currently reported single atomic catalysts for LiPSs conversion. This work high-lights the important role of metal active centers and provides a strategy for producing multifunctional dual-core single atom catalysts for high-performance Li-S cells.

Key words: Dual-core single-atom catalysts, Lithium polysulfides, Fast catalytic kinetics, Li₂S diffusion, Li-S battery

Chun-Lei Song, Qiao-Tong He, Zhongyi Zeng, Jing-Yan Chen, Tian Wen, Yu-Xiao Huang, Liu-Chun Zhuang, Wei Yi, Yue-Peng Cai, Xu-Jia Hong. Isolated diatomic Zn-Co metal-nitrogen/oxygen sites with synergistic effect on fast catalytic kinetics of sulfur species in Li-S battery[J]. Journal of Energy Chemistry, 2023, 79(4): 505-514.

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URL: https://www.jenergychem.com/EN/10.1016/j.jechem.2022.12.050

https://www.jenergychem.com/EN/Y2023/V79/I4/505

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