Electrochemically stable lithium-ion and electron insulators(LEIs)for solid-state batteries  

作　　者：Kai Pei So Yeon Kim Ju Li 

机构地区：[1]Frontier Institute of Science and Technology,Xi'an Jiaotong University,Xi'an 710049,China [2]Department of Materials Science and Engineering and Department of Nuclear Science and Engineering,Massachusetts Institute of Technology,Cambridge,MA 02139,USA

出　　处：《Nano Research》2022年第2期1213-1220,共8页纳米研究（英文版）

基　　金：This work is financially supported by the Samsung Advanced Institute of Technology;S.Y.K.gratefully acknowledges partial financial support of the Kwanjeong Scholarship;K.P.gratefully acknowledges the financial support of the China Scholarship Council(CSC).

摘　　要：Rechargeable solid-state Li metal batteries demand ordered flows of Li-ions and electrons in and out of solid structures,with repeated waxing and waning of Ubcc phase near contact interfaces which gives rise to various electro-chemo-mechanical challenges.There have been approaches that adopt three-dimensional(3D)nanoporous architectures consisting of mixed ion-electron conductors(MIECs)to combat these challenges.However,there has remained an issue of LiBcc nucleation at the interfaces between different solid components(e.g.,solid electrolyte/MlEC interface),which could undermine the interfacial bonding,thereby leading to the evolution of mechanical instability and the loss of ionic/electronic percolation.In this regard,the present work shows that the Li-ion and electron insulators(LEIs)that are thermodynamically stable against LiBcc could combat such challenges by blocking transportation of charge carriers on the interfaces,analogous to dielectric layers in transistors.We searched the ab initio database and have identified 48 crystalline compounds to be LEI candidates(46 experimentally reported compounds and 2 hypothetical compounds predicted to be stable)with a band gap greater than 3 eV and vanishing Li solubility.Among these compounds,those with good adhesion to solid electrolyte and mixed ion-electron conductor of interest,but are lithiophobic,are expected to be the most useful.We also extended the search to Na or K metal compatible alkali-ion and electron insulators,and identified some crystalline compounds with a property to resist corresponding alkali-ions and electrons.

关 键 词：electrochemical stability window stress fracture ADHESION contact lithium metal anode 

分 类 号：TM912[电气工程—电力电子与电力传动]