BC6NA monolayer as an ideal anode material for high-performance sodium-ion batteries
- Title
- BC6NA monolayer as an ideal anode material for high-performance sodium-ion batteries
- 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 BC6NA monolayer (referred to as BC6NAML) as an AM by first-principles calculations. The BC6NAML 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 BC6NAML was 406.36 mAhg−1, surpassing graphite, TiO2, BC6NA, and numerous other 2D materials. The BC6NAML 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 BC6NAML as one of the encouraging host materials for sodium-ion batteries (SIBs). Consequently, this investigation into the potential anodic application of BC6NAML proves valuable for future experimental studies into sodium storage for SIBs.
- Scientific Type
- غير معروف
- Journal volume
- vol.132
- Collaboration type
- مشترك
- Publish Date
- July 19, 2024
- Participated Universities (Publication)
-
Alnoor University
- Scopus status
- In Scopus
- Scopus index year
- 2 024
- Scopus quarter
- 2
- Scopus citation score
- 5
- Clarivate status
- In Clarivate
- Clarivate index year
- 2 024
- Clarivate impafact
- 2.900000095
- Pub. Med. status
- In PubMed
- Author (Publication)
- مها خالد عبدالامير صالح
- Journal (Publication)
-
Journal of Molecular Graphics and Modelling
- Publisher (Publication)
-
Elsevier
- ISSN
- 1093-3263
- Country (Publication)
-
United States
- Country type
- عالمية
- College (Publication)
-
College of Health and Medical Technologies
- Departement (Publication)
-
Department of Radiology
Part of BC6NA monolayer as an ideal anode material for high-performance sodium-ion batteries