1. BC 6 NA monolayer as an ideal anode material for high-performance sodium-ion batteries.
- Author
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Muhsen S, Padilla C, Mudhafar M, Kenjrawy HA, Ghazaly NM, Alqarni SA, Islam S, Abdulameer MK, Abbas JK, and Hawas MN
- Subjects
- Ions chemistry, Electric Power Supplies, Sodium chemistry, Electrodes
- Abstract
Selecting an appropriate anode material (AM) has been considered to be a crucial initial step in advancing high-performance batteries. Within this piece of research, we examine the suitability of the BC
6 NA monolayer (referred to as BC6 NAML) as an AM by first-principles calculations. The BC6 NAML exhibits metallic behavior consistently, even with varying concentrations of Na atoms, making it an ideal choice for battery usages. Our findings revealed that the theoretical storage capacity for Na-adhered BC6 NAML was 406.36 mAhg-1 , surpassing graphite, TiO2 , BC6 NA, and numerous other 2D materials. The BC6 NAML also demonstrates a diffusion barrier of 0.39 eV and favorable diffusivity of Na-ions. Although the open-circuit voltage (OCV) of BC6NAML was temperate and lower compared to the OCV of other AMs like TiO2 , our results suggested that it is possible to utilize BC6 NAML as one of the encouraging host materials for sodium-ion batteries (SIBs). Consequently, this investigation into the potential anodic application of BC6 NAML proves valuable for future experimental studies into sodium storage for SIBs., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Inc. All rights reserved.)- Published
- 2024
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