Two-dimensional Mo4/3B2−xTz boridene cathodes for Al-ion batteries
Abstract Rechargeable aluminum-ion batteries (AIBs) represent a highly promising solution for large-scale energy storage systems, owing to their exceptional safety, low cost, and high volumetric energy density. However, key challenges in this emerging technology include the development of suitable c...
Saved in:
| Main Authors: | , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-06-01
|
| Series: | Communications Materials |
| Online Access: | https://doi.org/10.1038/s43246-025-00852-w |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1849420577748549632 |
|---|---|
| author | Fanshuai Zeng Junjie Jin Shuting Liu Guan Sheng Udo Schwingenschlögl Justinas Palisaitis Jie Zhou Johanna Rosen Shaobo Tu |
| author_facet | Fanshuai Zeng Junjie Jin Shuting Liu Guan Sheng Udo Schwingenschlögl Justinas Palisaitis Jie Zhou Johanna Rosen Shaobo Tu |
| author_sort | Fanshuai Zeng |
| collection | DOAJ |
| description | Abstract Rechargeable aluminum-ion batteries (AIBs) represent a highly promising solution for large-scale energy storage systems, owing to their exceptional safety, low cost, and high volumetric energy density. However, key challenges in this emerging technology include the development of suitable cathode materials capable of efficient intercalation/deintercalation of Al-complex ions and a deeper understanding of the underlying electrochemical reaction mechanisms. Here we show Boridene (MBene), a two-dimensional (2D) transition metal boride (Mo4/3B2-xTz, (where Tz is fluorine, oxygen, or hydroxide surface terminations), as a cathode material for AIBs. Using density functional theory simulations, we calculated the adsorption energies of [AlCl4]− on MBene cathodes with varying termination concentrations, revealing that adsorption strength increases with decreasing termination density. Our findings demonstrate that the 2D Mo4/3B2-xTz cathode, with its moderate adsorption energy for Al-complex ions, enables superior electrochemical performance. These results not only provide a new strategy for designing high-performance AIB cathodes but also highlight the potential of 2D MBenes in next-generation energy storage systems. |
| format | Article |
| id | doaj-art-47fe1dab735e4826afb88e8705902a49 |
| institution | Kabale University |
| issn | 2662-4443 |
| language | English |
| publishDate | 2025-06-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Communications Materials |
| spelling | doaj-art-47fe1dab735e4826afb88e8705902a492025-08-20T03:31:42ZengNature PortfolioCommunications Materials2662-44432025-06-01611710.1038/s43246-025-00852-wTwo-dimensional Mo4/3B2−xTz boridene cathodes for Al-ion batteriesFanshuai Zeng0Junjie Jin1Shuting Liu2Guan Sheng3Udo Schwingenschlögl4Justinas Palisaitis5Jie Zhou6Johanna Rosen7Shaobo Tu8School of Physics and Materials Science, Nanchang UniversityPhysical Science and Engineering (PSE) Division, King Abdullah University of Science and TechnologySchool of Physics and Materials Science, Nanchang UniversitySchool of Physics and Materials Science, Nanchang UniversityPhysical Science and Engineering (PSE) Division, King Abdullah University of Science and TechnologyThin Film Physics Division, IFM, Linköping UniversityMaterials Design Division, Department of Physics, Chemistry and Biology (IFM), Linköping UniversityMaterials Design Division, Department of Physics, Chemistry and Biology (IFM), Linköping UniversitySchool of Physics and Materials Science, Nanchang UniversityAbstract Rechargeable aluminum-ion batteries (AIBs) represent a highly promising solution for large-scale energy storage systems, owing to their exceptional safety, low cost, and high volumetric energy density. However, key challenges in this emerging technology include the development of suitable cathode materials capable of efficient intercalation/deintercalation of Al-complex ions and a deeper understanding of the underlying electrochemical reaction mechanisms. Here we show Boridene (MBene), a two-dimensional (2D) transition metal boride (Mo4/3B2-xTz, (where Tz is fluorine, oxygen, or hydroxide surface terminations), as a cathode material for AIBs. Using density functional theory simulations, we calculated the adsorption energies of [AlCl4]− on MBene cathodes with varying termination concentrations, revealing that adsorption strength increases with decreasing termination density. Our findings demonstrate that the 2D Mo4/3B2-xTz cathode, with its moderate adsorption energy for Al-complex ions, enables superior electrochemical performance. These results not only provide a new strategy for designing high-performance AIB cathodes but also highlight the potential of 2D MBenes in next-generation energy storage systems.https://doi.org/10.1038/s43246-025-00852-w |
| spellingShingle | Fanshuai Zeng Junjie Jin Shuting Liu Guan Sheng Udo Schwingenschlögl Justinas Palisaitis Jie Zhou Johanna Rosen Shaobo Tu Two-dimensional Mo4/3B2−xTz boridene cathodes for Al-ion batteries Communications Materials |
| title | Two-dimensional Mo4/3B2−xTz boridene cathodes for Al-ion batteries |
| title_full | Two-dimensional Mo4/3B2−xTz boridene cathodes for Al-ion batteries |
| title_fullStr | Two-dimensional Mo4/3B2−xTz boridene cathodes for Al-ion batteries |
| title_full_unstemmed | Two-dimensional Mo4/3B2−xTz boridene cathodes for Al-ion batteries |
| title_short | Two-dimensional Mo4/3B2−xTz boridene cathodes for Al-ion batteries |
| title_sort | two dimensional mo4 3b2 xtz boridene cathodes for al ion batteries |
| url | https://doi.org/10.1038/s43246-025-00852-w |
| work_keys_str_mv | AT fanshuaizeng twodimensionalmo43b2xtzboridenecathodesforalionbatteries AT junjiejin twodimensionalmo43b2xtzboridenecathodesforalionbatteries AT shutingliu twodimensionalmo43b2xtzboridenecathodesforalionbatteries AT guansheng twodimensionalmo43b2xtzboridenecathodesforalionbatteries AT udoschwingenschlogl twodimensionalmo43b2xtzboridenecathodesforalionbatteries AT justinaspalisaitis twodimensionalmo43b2xtzboridenecathodesforalionbatteries AT jiezhou twodimensionalmo43b2xtzboridenecathodesforalionbatteries AT johannarosen twodimensionalmo43b2xtzboridenecathodesforalionbatteries AT shaobotu twodimensionalmo43b2xtzboridenecathodesforalionbatteries |