A DFT study on the application of B, N, and BN-doped phagraphene in Na-ion batteries
- Title
- A DFT study on the application of B, N, and BN-doped phagraphene in Na-ion batteries
- Abstract
-
Since Li-ion batteries have several drawbacks, including short lifetime, high cost, and less safety. So, Sodium-ion batteries (NIBs) can be considered promising alternatives to them in the future owing to their nontoxicity, cost-effectiveness, and availability. In this work, DFT calculations were undertaken in order to investigate the possibility of using the recently synthesized phagraphene nanosheet (PHGS) and the B-doped, N-doped, and BN-doped forms of PHGS as the anodes of NIBs. The results demonstrated the N-doped form of PHGS which is rich in electrons was more suitable to be used in NIBs. However, the B-doped form of PHGS (B@PHGS) caused a significant reduction in the cell voltage (Vcell). The Vcell produced by these nano-structures was in the following order: N@PHGS (∼ 1.82) > BN@PHGS (∼ 1.24) > > PHGS (∼ 1.14) > > B@PHGS (∼ −0.51 eV). The results indicated that the N@PHGS generated a higher Vcell in comparison with other nano-sheets.
- Scientific Type
- غير معروف
- Journal volume
- vol.141,110645
- Collaboration type
- مشترك
- Publish Date
- January 1, 2024
- Participated Universities (Publication)
-
Alnoor University
- Scopus status
- In Scopus
- Scopus index year
- 2 024
- Scopus quarter
- 1
- Scopus citation score
- 5.400000095
- Clarivate status
- In Clarivate
- Clarivate index year
- 2 023
- Clarivate impafact
- 4.099999905
- Pub. Med. status
- Not In PubMed
- Author (Publication)
-
سناء فتحي محمود محمد
- Journal (Publication)
-
Diamond and Related Materials
- Publisher (Publication)
-
Elsevier
- ISSN
- 0925-9635
- Country (Publication)
-
Netherlands
- Country type
- عالمية
- College (Publication)
-
College of Dentistry
- Departement (Publication)
-
Department of Dentistry
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