First‐Principles Calculations of Lithium‐Ion Migration at a Coherent Grain Boundary in a Cathode Material, LiCoO2. (2nd November 2012)

• Record Type: Journal Article
• Authors: Moriwake, Hiroki; Kuwabara, Akihide; Fisher, Craig A. J.; Huang, Rong; Hitosugi, Taro; Ikuhara, Yumi H.; Oki, Hideki; Ikuhara, Yuichi
• Is Part Of: Advanced materials. Volume 25:Number 4(2013)
• Page Start: 618
• Page End: 622
• Publication Date: 2012-11-02
• Subjects: Materials -- Periodicals; Chemical vapor deposition -- Periodicals; 620.11
• DOI: 10.1002/adma.201202805
• Languages: English
• ISSNs: 0935-9648

Abstract

<abstract abstract-type="graphical" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p> <bold>Results of theoretical calculations are reported, examining the effect of a coherent twin boundary on the electrical properties of LiCoO₂</bold>. This study suggests that internal interfaces in LiCoO₂ strongly affect the battery voltage, battery capacity, and power density of this material, which is of particular concern if it is used in all‐solid‐state Li‐ion batteries. <boxed-text content-type="graphic" position="anchor" orientation="portrait"><graphic position="anchor" mimetype="image" xlink:href="ark:/27927/pgg1p9n5dxp" orientation="portrait" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" /></boxed-text></p> </abstract>