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Intrinsic electrochemical activity of Ni in Ni3Sn4 anode accommodating high capacity and mechanical stability for fast-charging lithium-ion batteries

Authors
Moon, JanghyukHoang, Trung DinhPark, Seong SooPark, SeowanRhee, Dong YoungLee, JunwonHan, Sang APark, Min-SikKim, Jung Ho
Issue Date
Aug-2022
Publisher
Elsevier B.V.
Keywords
3D-structured electrode; Density functional theory; High-capacity anode; Inverse opal structure; Lithium-ion batteries; Ni3Sn4
Citation
Journal of Energy Chemistry, v.71, pp 470 - 477
Pages
8
Journal Title
Journal of Energy Chemistry
Volume
71
Start Page
470
End Page
477
URI
https://scholarworks.bwise.kr/cau/handle/2019.sw.cau/61254
DOI
10.1016/j.jechem.2022.03.006
ISSN
2095-4956
Abstract
Fast interfacial kinetics derived from bicontinuous three-dimensional (3D) architecture is a strategic feature for achieving fast-charging lithium-ion batteries (LIBs). One of the main reasons is its large active surface and short diffusion path. Yet, understanding of unusual electrochemical properties still remain great challenge due to its complexity. In this study, we proposed a nickel–tin compound (Ni3Sn4) supported by 3D Nickel scaffolds as main frame because the Ni3Sn4 clearly offers a higher reversible capacity and stable cycling performance than bare tin (Sn). In order to verify the role of Ni, atomic-scale simulation based on density functional theory systematically addressed to the reaction mechanism and structural evolution of Ni3Sn4 during the lithiation process. Our findings are that Ni enables Ni3Sn4 to possess higher mechanical stability in terms of reactive flow stress, subsequently lead to improve Li storage capability. This study elucidates an understanding of the lithiation mechanism of Ni3Sn4 and provides a new perspective for the design of high-capacity and high-power 3D anodes for fast-charging LIBs. © 2022
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Moon, Jang Hyuk
공과대학 (에너지시스템 공학부)
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