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.
类型: 期刊论文
作者: Hongjie Xu,Yuran Yu,Zhuo Wang,Guosheng Shao
来源: 能源与环境材料(英文) 2019年04期
年度: 2019
分类: 工程科技Ⅰ辑,工程科技Ⅱ辑
专业: 电力工业
单位: State Center for International Cooperation on Designer Low-Carbon & Environmental Materials (CDLCEM), Zhengzhou University
基金: supported in part by the Zhengzhou Materials Genome Institute,the National Natural Science Foundation of China(No. 51001091,111174256,91233101,51602094,51602290,11274100),the Fundamental Research Program from the Ministry of Science and Technology of China(no. 2014CB931704)
分类号: TM912
页码: 234-250
总页数: 17
文件大小: 3864K
下载量: 2
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