title: First-principles calculations of lithium-ion migration at a coherent grain boundary in a cathode material, LiCoO(2).
abstract: Results of theoretical calculations are reported, examining the effect of a coherent twin boundary on the electrical properties of LiCoO(2) . This study suggests that internal interfaces in LiCoO(2)  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.
authors.affiliation: Nanostructures Research Laboratory, Japan Fine Ceramics Center, 2-4-1 Mutsuno, Atsuta-ku, Nagoya, 456-8587, Japan. moriwake@jfcc.or.jp
authors.forename: Hiroki
authors.initials: H
authors.lastname: Moriwake
authors.forename: Akihide
authors.initials: A
authors.lastname: Kuwabara
authors.forename: Craig A J
authors.initials: CA
authors.lastname: Fisher
authors.forename: Rong
authors.initials: R
authors.lastname: Huang
authors.forename: Taro
authors.initials: T
authors.lastname: Hitosugi
authors.forename: Yumi H
authors.initials: YH
authors.lastname: Ikuhara
authors.forename: Hideki
authors.initials: H
authors.lastname: Oki
authors.forename: Yuichi
authors.initials: Y
authors.lastname: Ikuhara