{"title":"First Principle Material Genome Approach for All Solid-State Batteries","authors":"Hongjie Xu, Yuran Yu, Zhuo Wang, Guosheng Shao","doi":"10.1002/eem2.12053","DOIUrl":null,"url":null,"abstract":"<p>Due to ever-increasing concern about safety issues in using alkali metal ionic batteries, all solid-state batteries (ASSBs) have attracted tremendous attention. The foundation to enable high-performance ASSBs lies in delivering ultra-fast ionic conductors that are compatible with both alkali anodes and high-voltage cathodes. Such a challenging task cannot be fulfilled, without solid understanding covering materials stability and properties, interfacial reactions, structural integrity, and electrochemical windows. Here in this work, we will review recent advances on fundamental modeling in the framework of material genome initiative based on the density functional theory (DFT), focusing on solid alkali batteries. Efforts are made in offering a dependable road chart to formulate competitive materials and construct “better” batteries.</p>","PeriodicalId":11554,"journal":{"name":"Energy & Environmental Materials","volume":"2 4","pages":"234-250"},"PeriodicalIF":13.0000,"publicationDate":"2019-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/eem2.12053","citationCount":"57","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Energy & Environmental Materials","FirstCategoryId":"88","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/eem2.12053","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 57
Abstract
Due to ever-increasing concern about safety issues in using alkali metal ionic batteries, all solid-state batteries (ASSBs) have attracted tremendous attention. The foundation to enable high-performance ASSBs lies in delivering ultra-fast ionic conductors that are compatible with both alkali anodes and high-voltage cathodes. Such a challenging task cannot be fulfilled, without solid understanding covering materials stability and properties, interfacial reactions, structural integrity, and electrochemical windows. Here in this work, we will review recent advances on fundamental modeling in the framework of material genome initiative based on the density functional theory (DFT), focusing on solid alkali batteries. Efforts are made in offering a dependable road chart to formulate competitive materials and construct “better” batteries.
期刊介绍：
Energy & Environmental Materials (EEM) is an international journal published by Zhengzhou University in collaboration with John Wiley & Sons, Inc. The journal aims to publish high quality research related to materials for energy harvesting, conversion, storage, and transport, as well as for creating a cleaner environment. EEM welcomes research work of significant general interest that has a high impact on society-relevant technological advances. The scope of the journal is intentionally broad, recognizing the complexity of issues and challenges related to energy and environmental materials. Therefore, interdisciplinary work across basic science and engineering disciplines is particularly encouraged. The areas covered by the journal include, but are not limited to, materials and composites for photovoltaics and photoelectrochemistry, bioprocessing, batteries, fuel cells, supercapacitors, clean air, and devices with multifunctionality. The readership of the journal includes chemical, physical, biological, materials, and environmental scientists and engineers from academia, industry, and policy-making.
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