DFT-D study of carbon-doped ?12 borophene as a desirable anode material for sodium-ion batteries
- Title
- DFT-D study of carbon-doped ?12 borophene as a desirable anode material for sodium-ion batteries
- Abstract
- In the quest for the elaboration of advanced energy storage systems (EESs), sodium-ion batteries (SIBs) have emerged as a hopeful alternative to their lithium-ion counterparts, owing to the abundant availability of sodium. This article delves into the utilization of carbon-doped β12 borophene as an anode material for SIBs using density functional theory (DFT) calculations. Based on the band structure calculations, the metallic electronic character of this structure facilitates rapid electron transfer, contributing to its superior performance. Moreover, the remarkably low-energy barrier of 0.066–0.328 eV for migration ensures efficient sodium ion transport, which is critical for new fast-charge technology and better charge/discharge performance. Our investigation reveals that carbon-doped β12 Borophene’s two-dimensional structure, high electrical conductivity, and theoretical capacity of 1972 mAh g−1 make it an ideal candidate for SIB anodes, offering a new avenue for the development of low cost and high-capacity energy storage solutions.
- Scientific Type
- غير معروف
- Journal volume
- Volume 168
- Collaboration type
- مشترك
- Publish Date
- December 1, 2024
- Participated Universities (Publication)
-
Alnoor University
- Scopus status
- In Scopus
- Scopus index year
- 2 024
- Scopus quarter
- 2
- Scopus citation score
- 5.800000191
- Clarivate status
- In Clarivate
- Clarivate index year
- 2 024
- Clarivate impafact
- 4.699999809
- Pub. Med. status
- Not In PubMed
- Author (Publication)
- رغدة علي بكر مصطفى
- Journal (Publication)
- Inorganic Chemistry Communications
- Publisher (Publication)
-
Elsevier
- ISSN
- 1387-7003
- Country (Publication)
-
Netherlands
- Country type
- عالمية
- College (Publication)
-
College of Health and Medical Technologies
- Departement (Publication)
-
Department of Medical laboratories techniques
Part of DFT-D study of carbon-doped ?12 borophene as a desirable anode material for sodium-ion batteries