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AuthorButt, Mehwish Khalid
AuthorRehman, Javed
AuthorYang, Zhao
AuthorWang, Shuanhu
AuthorEl-Zatahry, Ahmed
AuthorAlofi, Ayman S.
AuthorAlbaqami, Munirah D.
AuthorAlotabi, Reham Ghazi
AuthorLaref, Amel
AuthorJin, Kexin
AuthorShibl, Mohamed F.
Available date2025-10-09T05:52:35Z
Publication Date2022
Publication NamePhysical Chemistry Chemical Physics
ResourceScopus
Identifierhttp://dx.doi.org/10.1039/d2cp02780a
ISSN14639084
URIhttp://hdl.handle.net/10576/67827
AbstractThe high demand for renewable and clean energy has driven the exploration of advanced energy storage systems. Sodium-ion batteries (SIBs) are considered to be potential substitutes for Li-ion batteries (LIBs) because they are manufactured from raw materials that are cheap, less toxic, and abundantly available. Recent developments have demonstrated that two-dimensional (2D) materials have gained increasing interest as electrode candidates for efficient SIBs because of their enormous surface area and sufficient accommodating sites for the storage of Na ions. Herein, we explore the binding and diffusion mechanisms of Na on a 2D SnS sheet using density functional theory (DFT). The outcomes reveal that Na has a strong binding strength with SnS as well as charge transfer from Na to SnS, which affirms an excellent electrochemical performance. A transition from semiconducting (1.4 eV band gap) to metallic has been noted in the electronic structure after loading a minor amount of Na. In addition, a low open-circuit voltage (OCV) of 0.87 V and a high storage capacity of 357 mA h g-1 show the suitability of the SnS monolayer for SIBs. In addition, the low activation barrier for Na migration (0.13 eV) is attractive for a fast sodiation/desodiation process. Henceforth, these encouraging outcomes suggest the application of the SnS sheet as an excellent anode for next-generation SIBs.
SponsorThis work is supported by the Natural Science Basic Research Plan in Shaanxi Province of China (2021JM-041 and 2021JZ-08), and the Fundamental Research Funds for the Central Universities (3102017OQD074, 310201911cx044). Also, this work was funded by the Researchers Supporting Project Number (RSP-2021/267) King Saud University, Riyadh, Saudi Arabia.
Languageen
PublisherRoyal Society of Chemistry
SubjectSodium-Ion Batteries
2D Materials
Tin Sulfide (SnS)
Density Functional Theory
Anode Materials
TitleStorage of Na in 2D SnS for Na ion batteries: a DFT prediction
TypeArticle
Pagination29609-29615
Issue Number48
Volume Number24
ESSN14639076
dc.accessType Abstract Only


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