Intrinsic electrochemical activity of Ni in Ni_(3)Sn_(4) anode accommodating high capacity and mechanical stability for fast-charging lithium-ion batteries

作     者：Janghyuk Moon Trung Dinh Hoang Seong Soo Park Seowan Park Dong Young Rhee Junwon Lee Sang A Han Min-Sik Park Jung Ho Kim Janghyuk Moon;Trung Dinh Hoang;Seong Soo Park;Seowan Park;Dong Young Rhee;Junwon Lee;Sang A Han;Min-Sik Park;Jung Ho Kim

作者机构：School of Energy Systems EngineeringChung-Ang UniversityHeukseok-RoDongjak-guSeoul 06974Republic of Korea Department of Advanced Materials Engineering for Information and ElectronicsIntegrated Education Institute for Frontier Science&Technology(BK21 Four)Kyung Hee University1732 Deogyeong-daeroGiheung-guYongin 17104Republic of Korea Institute for Superconducting&Electronic Materials(ISEM)Australian Institute of Innovative Materials(AIIM)University of WollongongInnovation CampusSquires WayNorth WollongongNSW 2500Australia 

出 版 物：《Journal of Energy Chemistry》 (能源化学（英文版）)

年 卷 期：2022年第31卷第8期

页      面：470-477,I0013页

核心收录：

学科分类：081702[工学-化学工艺] 0808[工学-电气工程] 0809[工学-电子科学与技术（可授工学、理学学位）] 08[工学] 0817[工学-化学工程与技术] 0813[工学-建筑学] 0814[工学-土木工程] 0702[理学-物理学] 

基　　金：supported by the National Research Foundation of Korea(NRF)grant funded by the Korean government(MSIT)(NRF-2021M3H4A1A02045967)(NRF-2021M3H4A1A02048137) supported by the Chung-Ang University Research Scholarship Grants in 2021。 

主　　题：Lithium-ion batteries Ni_(3)Sn_(4) High-capacity anode 3D-structured electrode Inverse opal structure Density functional theory 

摘      要：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(Ni_(3)Sn_(4))supported by 3D Nickel scaffolds as main frame because the Ni_(3)Sn_(4) 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 Ni_(3)Sn_(4) during the lithiation process.Our findings are that Ni enables Ni_(3)Sn_(4) 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 Ni_(3)Sn_(4) and provides a new perspective for the design of high-capacity and high-power 3D anodes for fast-charging LIBs.