• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Advanced energy materials >Lithium Oxide Superionic Conductors Inspired by Garnet and NASICON Structures
【24h】

Lithium Oxide Superionic Conductors Inspired by Garnet and NASICON Structures

机译：由石榴石和石结结构的锂氧化锂外膜导体

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

The key component in lithium solid-state batteries (SSBs) is the solid electrolyte composed of lithium superionic conductors (SICs). Lithium oxide SICs offer improved electrochemical and chemical stability compared with sulfides, and their recent advancements have largely been achieved using materials in the garnet- and NASICON (sodium superionic conductor)- structured families. In this work, using the ion-conduction mechanisms in garnet and NASICON as inspiration, a common pattern of an "activated diffusion network" and three structural features that are beneficial for superionic conduction: a 3D percolation Li diffusion network, short distances between occupied Li sites, and the "homogeneity" of the transport path are identified. A high-throughput computational screening is performed to search for new lithium oxide SICs that share these features. From this search, seven candidates are proposed exhibiting high room-temperature ionic conductivity evaluated using ab initio molecular dynamics simulations. Their structural frameworks including spinel, oxy-argyrodite, sodalite, and LiM(SeO3)(2) present new opportunities for enriching the structural families of lithium oxide SICs.
机译：锂固态电池（SSBS）的关键部件是由锂外膜导体（SICS）组成的固体电解质。氧化锂SICS与硫化物相比提供了改善的电化学和化学稳定性，并且它们最近的进步主要使用石榴石和钠（钠钠导体）结构化家族中的材料来实现。在这项工作中，使用石榴石和鼻梁中的离子传导机制作为灵感，是“激活扩散网络”的共同模式和三种结构特征，对超级电导传的有利：3D渗透李扩散网络，占用李之间的短距离鉴定了传输路径的“同质性”。执行高吞吐量计算筛选以搜索共享这些特征的新锂氧化物SIC。从该搜索中，提出了七个候选物，其使用AB Initio分子动力学模拟评估了高室温离子电导率。它们的结构框架包括尖晶石，氧 - 氧化钇，钠和林（SEO3）（2）为富含氧化锂SICS的结构系列提供了新的机会。

著录项

  • 来源
    《Advanced energy materials》 |2021年第37期|2101437.1-2101437.16|共16页
  • 作者

    Xiao Yihan; Jun KyuJung; Wang Yan; Miara Lincoln J.; Tu Qingsong; Ceder Gerbrand;

  • 作者单位

    Univ Calif Berkeley Dept Mat Sci & Engn Berkeley CA 94720 USA|Lawrence Berkeley Natl Lab Mat Sci Div Berkeley CA 94720 USA;

    Univ Calif Berkeley Dept Mat Sci & Engn Berkeley CA 94720 USA|Lawrence Berkeley Natl Lab Mat Sci Div Berkeley CA 94720 USA;

    Samsung Res Amer Adv Mat Lab 10 Wilson Rd Cambridge MA 02138 USA;

    Samsung Res Amer Adv Mat Lab 10 Wilson Rd Cambridge MA 02138 USA;

    Lawrence Berkeley Natl Lab Mat Sci Div Berkeley CA 94720 USA;

    Univ Calif Berkeley Dept Mat Sci & Engn Berkeley CA 94720 USA|Lawrence Berkeley Natl Lab Mat Sci Div Berkeley CA 94720 USA;

  • 收录信息
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    batteries; DFT calculations; solid electrolytes; solid-state batteries; superionic conductors;

    机译：电池;DFT计算;固体电解质;固态电池;硬质导体;

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号