Layered Li-Co-B as a Low-Potential Anode for Lithium-Ion Batteries
An anode material is one of the key factors affecting the capacity, cycle, and rate (fast charge) performance of lithium-ion batteries. Using the adaptive genetic algorithm, we found a new ground-state Li2CoB and two metastable states LiCoB and LiCo2B2 in the Li-Co-B system. The Li2CoB phase is a lithium-rich layered structure, and it has an equivalent lithium-ion migration barrier (0.32 eV) in addition to the lower voltage platform (0.05 V) than graphite, which is the most important commercial anode material at present. Moreover, we analyzed the mechanism of delithiation for Li2CoB and found that it maintained metallicity in the process of delithiation, indicating its good conductivity as an electrode material. Therefore, it is an excellent potential anode material for lithium-ion batteries. Our work provides a promising theoretical basis for the experimental synthesis of Li-Co-B and similar new materials.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2023 |
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| Erschienen: |
2023 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:62 |
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| Enthalten in: |
Inorganic chemistry - 62(2023), 21 vom: 29. Mai, Seite 8136-8144 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Sun, Jiaying [VerfasserIn] |
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| Links: |
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| Anmerkungen: |
Date Completed 29.05.2023 Date Revised 29.05.2023 published: Print-Electronic Citation Status PubMed-not-MEDLINE |
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| doi: |
10.1021/acs.inorgchem.3c00338 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM356970264 |
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| 500 | |a published: Print-Electronic | ||
| 500 | |a Citation Status PubMed-not-MEDLINE | ||
| 520 | |a An anode material is one of the key factors affecting the capacity, cycle, and rate (fast charge) performance of lithium-ion batteries. Using the adaptive genetic algorithm, we found a new ground-state Li2CoB and two metastable states LiCoB and LiCo2B2 in the Li-Co-B system. The Li2CoB phase is a lithium-rich layered structure, and it has an equivalent lithium-ion migration barrier (0.32 eV) in addition to the lower voltage platform (0.05 V) than graphite, which is the most important commercial anode material at present. Moreover, we analyzed the mechanism of delithiation for Li2CoB and found that it maintained metallicity in the process of delithiation, indicating its good conductivity as an electrode material. Therefore, it is an excellent potential anode material for lithium-ion batteries. Our work provides a promising theoretical basis for the experimental synthesis of Li-Co-B and similar new materials | ||
| 650 | 4 | |a Journal Article | |
| 700 | 1 | |a Wang, Renhai |e verfasserin |4 aut | |
| 700 | 1 | |a Ding, Zhiyuan |e verfasserin |4 aut | |
| 700 | 1 | |a Zhang, Xunjiang |e verfasserin |4 aut | |
| 700 | 1 | |a Zhang, QianRong |e verfasserin |4 aut | |
| 700 | 1 | |a Zhang, Bingkai |e verfasserin |4 aut | |
| 700 | 1 | |a Dong, Huafeng |e verfasserin |4 aut | |
| 700 | 1 | |a Wu, Fugen |e verfasserin |4 aut | |
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