1. Highly Reversible Sodium‐ion Storage in A Bifunctional Nanoreactor Based on Single‐atom Mn Supported on N‐doped Carbon over MoS2 Nanosheets.
- Author
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Sui, Simi, Xie, Haonan, Chen, Biao, Wang, Tianshuai, Qi, Zijia, Wang, Jingyi, Sha, Junwei, Liu, Enzuo, Zhu, Shan, Lei, Kaixiang, Zheng, Shijian, Zhou, Guangmin, He, Chunnian, Hu, Wenbin, He, Fang, and Zhao, Naiqin
- Subjects
MOLECULAR theory ,CHEMICAL kinetics ,DENSITY functional theory ,MOLECULAR dynamics ,CATALYSIS - Abstract
Conversion‐type electrode materials have gained massive research attention in sodium‐ion batteries (SIBs), but their limited reversibility hampers practical use. Herein, we report a bifunctional nanoreactor to boost highly reversible sodium‐ion storage, wherein a record‐high reversible degree of 85.65 % is achieved for MoS2 anodes. Composed of nitrogen‐doped carbon‐supported single atom Mn (NC‐SAMn), this bifunctional nanoreactor concurrently confines active materials spatially and catalyzes reaction kinetics. In situ/ex situ characterizations including spectroscopy, microscopy, and electrochemistry, combined with theoretical simulations containing density functional theory and molecular dynamics, confirm that the NC‐SAMn nanoreactors facilitate the electron/ion transfer, promote the distribution and interconnection of discharging products (Na2S/Mo), and reduce the Na2S decomposition barrier. As a result, the nanoreactor‐promoted MoS2 anodes exhibit ultra‐stable cycling with a capacity retention of 99.86 % after 200 cycles in the full cell. This work demonstrates the superiority of bifunctional nanoreactors with two‐dimensional confined and catalytic effects, providing a feasible approach to improve the reversibility for a wide range of conversion‐type electrode materials, thereby enhancing the application potential for long‐cycled SIBs. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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