A High-Coincidence Twin Boundary in Lithium Battery Material LiCoO2

被引：12

作者：

Fisher, Craig A. J. ^{[1
]}

Huang, Rong ^{[1
,2
]}

Hitosugi, Taro ^{[3
]}

Moriwake, Hiroki ^{[1
]}

Kuwabara, Akihide ^{[1
]}

Ikuhara, Yumi H. ^{[1
]}

Oki, Hideki ^{[4
]}

Ikuhara, Yuichi ^{[1
,5
]}

机构：

[1] Japan Fine Ceram Ctr, Nanostruct Res Lab, Atsuta Ku, Nagoya, Aichi 4568587, Japan

[2] E China Normal Univ, Key Lab Polar Mat & Devices, Shanghai 200062, Peoples R China

[3] Tohoku Univ, WPI Adv Inst Mat Res WPI AIMR, Sendai, Miyagi 9808577, Japan

[4] Toyota Motor Co Ltd, Shizuoka 4101193, Japan

[5] Univ Tokyo, Inst Engn Innovat, Bunkyo Ku, Tokyo 1138656, Japan

来源：

NANOSCIENCE AND NANOTECHNOLOGY LETTERS | 2012年 / 4卷 / 02期

关键词：

Lithium Cobaltite; Lithium Ion Battery; Scanning Transmission Electron Microscopy; Atomistic Simulation; MICROSTRUCTURE; INTERCALATION; DIFFUSION; ELECTRODE;

D O I：

10.1166/nnl.2012.1301

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

A high-coincidence twin boundary observed by scanning transmission electron microscopy in a thin film of LiCoO2 and characterized using atomistic simulation techniques is reported. The boundary can be described in coincidence site lattice theory as a near-Sigma 2 (1 (1) over bar0 (4) over bar)/4 (4) over bar 40 (1) over bar] theta = 180 degrees twist boundary. Using a two-body potential model the grain boundary excess energy was calculated to be very low (0.09 Jm(-2)), indicating high stability. Together with the surface energy of a (1 (1) over bar0 (4) over bar) terminated crystal, this gives a work of cohesion of 1.75 Jm(-2), also consistent with a strongly bound interface. Although the layered structure is not drastically perturbed within the vicinity of the symmetrical grain boundary, small changes in the d-spacing within 4 to 5 planes (similar to 0.6 nm) of the interface are associated with large changes in the Li ion migration energies.

引用

页码：165 / 168

页数：4

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