Enabling enhanced lithium storage capacity of two-dimensional pentagonal BN2 by aluminum doping
| dc.contributor.author | Thanasarnsurapong, Thanasee | |
| dc.contributor.author | Detrattanawichai, Panyalak | |
| dc.contributor.author | Dabsamut, Klichchupong | |
| dc.contributor.author | Simalaotao, Kodchakorn | |
| dc.contributor.author | Maluangnont, Tosapol | |
| dc.contributor.author | Boonchun, Adisak | |
| dc.date.accessioned | 2026-08-06T10:41:24Z | |
| dc.date.available | 2026-08-06T10:41:24Z | |
| dc.date.issued | 2023-04-21 | |
| dc.description.abstract | Researchers studying Li-ion batteries (LIBs) have become very interested in two-dimensional (2D) materials possessing an unusual pentagonal atomic structure. Recently, penta-graphene, penta-B<inf>2</inf>C, and penta-BN<inf>2</inf> have been theoretically described. These materials are attractive for use as state-of-the-art anodes in LIBs due to their high storage capacities of 1489, 1594, and 2071 mA h g<sup>−1</sup>, respectively. Here, we propose enhancing storage capacity by introducing defect doping. For example, one Al atom was incorporated into 2 × 2 penta-BN<inf>2</inf>, corresponding to AlB<inf>7</inf>N<inf>16</inf>. The energy calculated for the adsorption of a single Li atom onto the Al-doped material is more favorable than that for the Al-free analog, indicating that doping can strengthen an affinity for Li. The Al-doped penta-BN<inf>2</inf> exhibits metallic conductivity during Li adsorption. In the layer-by-layer Li adsorption, doping a single Al atom into 2 × 2 penta-BN<inf>2</inf> has an 11% higher storage capacity (2297 mA h g<sup>−1</sup>) than penta-BN<inf>2</inf> despite having a slightly heavier formula weight. The Al-doped penta-BN<inf>2</inf> displays a low open-circuit voltage of 0.48 V. Substituting aluminum for boron enhances the Li adsorption capacity of penta-BN<inf>2</inf>, and the computed storage capacity is presently one of the highest published values for pentagonal materials. | |
| dc.identifier.citation | Journal of Materials Chemistry C, 11(17), 5825-5830, 2023 | |
| dc.identifier.doi | 10.1039/d3tc00247k | |
| dc.identifier.issn | 20507526 | |
| dc.identifier.other | 2-s2.0-85153882520 | |
| dc.identifier.uri | https://dspace.kmitl.ac.th/handle/123456789/14392 | |
| dc.source | Journal of Materials Chemistry C | |
| dc.title | Enabling enhanced lithium storage capacity of two-dimensional pentagonal BN2 by aluminum doping | |
| dc.type | Article |