Theoretical insights into the intercalation mechanism of Li, Na, and Mg ions in a metallic BN/VS2 heterostructure
Layered VS2 has been widely used as a battery anode material owing to its large specific surface area and controllable ion-transport channel. However, its semiconductor properties and poor cycling stability seriously limit its further applications. Herein, a two-dimensional BN/VS2 heterostructure (BVH) was constructed as an anode material for rechargeable metal-ion batteries (RMIBs). Demonstrated using first principles calculations, BVH exhibits a metallic property due to lattice stress between monolayer BN and VS2. BVH displays low ion diffusion energy barriers (0.13, 0.43, and 0.56 eV) and high theoretical capacities (447, 553.5, and 340.7 mA h g-1) for Li+, Na+, and Mg2+ storage. In BVH, the VS2 layer as the main redox center supports charge transfer, while the inactive BN layer enables high structural stability. This synergistic effect is expected to simultaneously achieve a high rate, high capacity, and long life. This design provides an important insight into developing new anode materials for RMIBs.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2024 |
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| Erschienen: |
2024 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:26 |
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| Enthalten in: |
Physical chemistry chemical physics : PCCP - 26(2024), 8 vom: 22. Feb., Seite 7001-7009 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Luo, Lingxiao [VerfasserIn] |
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| Links: |
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| Anmerkungen: |
Date Revised 22.02.2024 published: Electronic Citation Status PubMed-not-MEDLINE |
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| doi: |
10.1039/d3cp05232j |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM368354628 |
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| 245 | 1 | 0 | |a Theoretical insights into the intercalation mechanism of Li, Na, and Mg ions in a metallic BN/VS2 heterostructure |
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| 500 | |a Date Revised 22.02.2024 | ||
| 500 | |a published: Electronic | ||
| 500 | |a Citation Status PubMed-not-MEDLINE | ||
| 520 | |a Layered VS2 has been widely used as a battery anode material owing to its large specific surface area and controllable ion-transport channel. However, its semiconductor properties and poor cycling stability seriously limit its further applications. Herein, a two-dimensional BN/VS2 heterostructure (BVH) was constructed as an anode material for rechargeable metal-ion batteries (RMIBs). Demonstrated using first principles calculations, BVH exhibits a metallic property due to lattice stress between monolayer BN and VS2. BVH displays low ion diffusion energy barriers (0.13, 0.43, and 0.56 eV) and high theoretical capacities (447, 553.5, and 340.7 mA h g-1) for Li+, Na+, and Mg2+ storage. In BVH, the VS2 layer as the main redox center supports charge transfer, while the inactive BN layer enables high structural stability. This synergistic effect is expected to simultaneously achieve a high rate, high capacity, and long life. This design provides an important insight into developing new anode materials for RMIBs | ||
| 650 | 4 | |a Journal Article | |
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| 700 | 1 | |a Gao, Zhipeng |e verfasserin |4 aut | |
| 700 | 1 | |a Yang, Xiaofang |e verfasserin |4 aut | |
| 700 | 1 | |a Xu, Junyao |e verfasserin |4 aut | |
| 700 | 1 | |a Huang, Guangsheng |e verfasserin |4 aut | |
| 700 | 1 | |a Wang, Jingfeng |e verfasserin |4 aut | |
| 700 | 1 | |a Pan, Fusheng |e verfasserin |4 aut | |
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