Morphological peculiarities of the lithium electrode from the perspective of the Marcus-Hush-Chidsey model  

作　　者：Behnam Ghalami Choobar Hamid Hamed Mohammadhosein Safari 

机构地区：[1]Institute for Materials Research(IMO-imomec),UHasselt,Martelarenlaan 42,B-3500 Hasselt,Belgium [2]Energyville,Thor Park 8320,B-3600 Genk,Belgium [3]IMEC Division IMOMEC,BE-3590,Belgium

出　　处：《Journal of Energy Chemistry》2023年第5期452-457,I0011,共7页能源化学（英文版）

基　　金：supported by the European Union’s Horizon 2020 Research and Innovation Program for the Solidify Project(875557)。

摘　　要：This study employs the kinetics framework of Marcus-Hush-Chidsey(MHC)to investigate the charge transfer at the interface of lithium electrode and electrolyte in lithium(ion)-batteries.The chargetransfer rate constant is evaluated for different facets of lithium,namely(100),(110),(101),and(111)as a function of surface charge density with the aid of density functional theory(DFT)calculations.The results highlight and quantify the sensitivity of the rate of lithium plating and stripping to the surface orientation,surface charge density,and charge-transfer over-potential.An intrinsic kinetics competition among the different surface orientations is identified together with an asymmetry between the lithium plating and stripping and showcased to influence the deposit morphology and surface protrusions and indentations.

关 键 词：Marcus-Hush-Chidsey kinetics Surface orientation Surface charge Lithium electrode 

分 类 号：TM912[电气工程—电力电子与电力传动] TG146.26[一般工业技术—材料科学与工程]