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Metallic B2Si monolayer as a flexible anode material for Li, Na and K-ion batteries: A first principles study.
- Source :
-
Physica B . Feb2024, Vol. 675, pN.PAG-N.PAG. 1p. - Publication Year :
- 2024
-
Abstract
- Silicon-based 2D materials have garnered significant attention as outstanding anodes of alkali metal ion batteries (MIBs); nevertheless, the poor electrical conductivity and mechanical property have severely hindered their practical application. In this work, we conducted a detailed first principles calculation to examine a newly-developed 2D silicon-boron binary compound (named B 2 Si) as the anode of MIBs. The B 2 Si anode harbors the intrinsic metallicity and exhibits low Li/Na/K diffusion barriers of 0.26, 0.14 and 0.09 eV, which makes a great contribution to the high rate performance. The storage capacities for Li/Na/K are predicted to be 1908.57, 583.48 and 431.97 mA h/g, respectively, superior to the commercial graphite anode. Moreover, the B 2 Si anode has good mechanical property and structural flexibility, which could avoid destroying its structure on the metal ion intercalation/deintercalation process. These fascinating features render the B 2 Si monolayer an exceptional anode of MIBs. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 09214526
- Volume :
- 675
- Database :
- Academic Search Index
- Journal :
- Physica B
- Publication Type :
- Academic Journal
- Accession number :
- 174759377
- Full Text :
- https://doi.org/10.1016/j.physb.2023.415627