{"title":"Charged andnDischarged States of Cathode/Sulfide ElectrolytenInterfaces in All-Solid-State Lithium Ion Batteries","authors":"Masato Sumita (672347), Yoshinori Tanaka (259005), Minoru Ikeda (253194), Takahisa Ohno (1268106)","doi":"10.1021/acs.jpcc.6b01207.s001","DOIUrl":"https://doi.org/10.1021/acs.jpcc.6b01207.s001","url":null,"abstract":"Interfaces between cathodes and sulfidenelectrolytes exhibit highnresistance in all-solid-state lithium ion batteries. In this paper,nto elucidate the origin of the high interface resistance we have theoreticallyninvestigated the properties of the cathode interfaces with the sulfidenelectrolyte and oxide electrolyte for comparison. From the densitynfunctional molecular dynamics simulations of the LiFePO<sub>4</sub>/Li<sub>3</sub>PS<sub>4</sub> interface in both discharged and chargednstates, we have demonstrated the instability of the sulfide interfacenin the charged state, that is, the lithium depletion and oxidationnon the sulfide side near the interface, in contrast to the oxide interfaces.nThe obtained results imply the formation of a Li-depleted layer aroundnthe sulfide interfaces during charging and support the validity ofnthe insertion of oxide buffer layers at the interface to reduce theninterface resistance.","PeriodicalId":523782,"journal":{"name":"Figshare","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2016-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147921831","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}