Lithium Super‐Ionic Conductors: Crystal Structural Framework of Lithium Super‐Ionic Conductors (Adv. Energy Mater. 43/2019). Issue 43 (20th November 2019)

• Record Type: Journal Article
• Authors: He, Xingfeng; Bai, Qiang; Liu, Yunsheng; Nolan, Adelaide M.; Ling, Chen; Mo, Yifei
• Is Part Of: Advanced energy materials. Volume 9:Issue 43(2019)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2019-11-20
• Subjects: ab initio molecular dynamics simulations -- computational materials discovery -- high‐throughput computation -- Li‐ion conductors -- super‐ionic conductors; Energy harvesting -- Materials -- Periodicals; Energy conversion -- Materials -- Periodicals; Energy storage -- Materials -- Periodicals; Photovoltaics -- Periodicals; Fuel cells -- Periodicals; Thermoelectric materials -- Periodicals; 621.31
• DOI: 10.1002/aenm.201970169
• Languages: English
• ISSNs: 1614-6832

Abstract

Abstract : Design and discovery of fast‐ion conductor materials have been widely pursued to enable novel energy storage and conversion technologies. The computation study by Yifei Mo and co‐workers reported in article number 1902078 systematically analyzes the crystal structures of all lithium‐containing oxides and sulfides and quantifies the key features pertaining to fast‐ion conduction. Based on these quantified features, a high‐throughput screening is performed for discovering new structures for fast Li‐ion conductors.