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AuthorPeng, Qiong
AuthorRehman, Javed
AuthorButt, Mehwish Khalid
AuthorYang, Zhao
AuthorWang, Shuanhu
Authoral-Ammar, Essam A.
AuthorSillanpää, Mika A.
AuthorDinh, Van An
AuthorShibl, Mohamed F.
Available date2025-10-09T05:52:35Z
Publication Date2023
Publication NameJournal of Materials Science
ResourceScopus
Identifierhttp://dx.doi.org/10.1007/s10853-023-08224-w
ISSN15734803
URIhttp://hdl.handle.net/10576/67828
AbstractOwing to their low cost, potassium-ion batteries (PIBs) are considered the best alternatives to Li-ion batteries (LIBs) due to the high abundance and reactivity of K. However, the large ionic size of K than Li, hinder the commercial availability of PIBs. Herein, DFT calculations are employed to shed light on the electrochemical performance of 2D SnO as an anode for PIBs. The electronic properties of bare SnO reveal semiconducting nature. However, it is metallic with a small amount of K-adsorption. As an anode for PIBs, 2D SnO has a very low average open-circuit voltage (OCV) of 0.292 V with a high K storage capacity (398 mAh g-1). Additionally, the outcomes of the AIMD simulations of the SnO monolayer are displayed with low and high content of K-loading which shows the thermal stability of the host material for PIBs. Eventually, we discuss the potassiation and depotassiation mechanism of the SnO sheet, which reveal fast charging and discharging rates due to the low activation energy barrier (0.07 eV). Based on the above fascinating outcomes, the SnO monolayer could be a promising anode for rechargeable PIBs. Graphical Abstract: The table of content (TOC) depicts the structural model of SnO monolayer as anode material and rapid charging and discharging processes for K-migration.
SponsorThe publication of this article was funded by Qatar National Library. This work was supported by the Scientific Research Fund of Hunan Provincial Education Department (No. 21B0637), Researchers Supporting Project number (RSP2022R492), King Saud University, Riyadh, Saudi Arabia, and Natural Science Basic Research Plan in Shaanxi Province of China (2021JM-041)
Languageen
PublisherSpringer
SubjectPotassium-Ion Batteries
2D SnO
Anode Materials
Density Functional Theory
Ion Diffusion Mechanism
TitleAdsorption and diffusion of potassium on layered SnO: a DFT analysis
TypeArticle
Pagination3208-3218
Issue Number7
Volume Number58
ESSN00222461
dc.accessType Full Text


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