First-principles calculations of lithium-ion migration at a coherent grain boundary in a cathode material, LiCoO2

Hiroki Moriwake; Akihide Kuwabara; Craig A.J. Fisher; Rong Huang; Taro Hitosugi; Yumi H. Ikuhara; Hideki Oki; Yuichi Ikuhara

doi:10.1002/adma.201202805

First-principles calculations of lithium-ion migration at a coherent grain boundary in a cathode material, LiCoO₂

Hiroki Moriwake^*
, Akihide Kuwabara
, Craig A.J. Fisher
, Rong Huang
, Taro Hitosugi
, Yumi H. Ikuhara
, Hideki Oki
, Yuichi Ikuhara

^*此作品的通讯作者

物理与电子科学学院

Japan Fine Ceramics Center
Tohoku University
Toyota Motor
The University of Tokyo

科研成果: 期刊稿件 › 文章 › 同行评审

172 引用（Scopus）

摘要

Results of theoretical calculations are reported, examining the effect of a coherent twin boundary on the electrical properties of LiCoO₂. 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.

源语言	英语
页（从-至）	618-622
页数	5
期刊	Advanced Materials
卷	25
期	4
DOI	https://doi.org/10.1002/adma.201202805
出版状态	已出版 - 25 1月 2013

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10.1002/adma.201202805

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abstract = "Results of theoretical calculations are reported, examining the effect of a coherent twin boundary on the electrical properties of LiCoO2. 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.",

keywords = "first-principles calculations, lithium cobaltite, lithium-ion batteries, scanning transmission electron microscopy, twin boundaries",

author = "Hiroki Moriwake and Akihide Kuwabara and Fisher, \{Craig A.J.\} and Rong Huang and Taro Hitosugi and Ikuhara, \{Yumi H.\} and Hideki Oki and Yuichi Ikuhara",

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doi = "10.1002/adma.201202805",

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AU - Moriwake, Hiroki

AU - Kuwabara, Akihide

AU - Fisher, Craig A.J.

AU - Huang, Rong

AU - Hitosugi, Taro

AU - Ikuhara, Yumi H.

AU - Oki, Hideki

AU - Ikuhara, Yuichi

PY - 2013/1/25

Y1 - 2013/1/25

N2 - Results of theoretical calculations are reported, examining the effect of a coherent twin boundary on the electrical properties of LiCoO2. 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.

AB - Results of theoretical calculations are reported, examining the effect of a coherent twin boundary on the electrical properties of LiCoO2. 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.

KW - first-principles calculations

KW - lithium cobaltite

KW - lithium-ion batteries

KW - scanning transmission electron microscopy

KW - twin boundaries

UR - https://www.scopus.com/pages/publications/84872699454

U2 - 10.1002/adma.201202805

DO - 10.1002/adma.201202805

M3 - 文章

AN - SCOPUS:84872699454

SN - 0935-9648

VL - 25

SP - 618

EP - 622

JO - Advanced Materials

JF - Advanced Materials

IS - 4

ER -

First-principles calculations of lithium-ion migration at a coherent grain boundary in a cathode material, LiCoO2

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First-principles calculations of lithium-ion migration at a coherent grain boundary in a cathode material, LiCoO₂