Visualization of conduction pathways in lithium superionic conductors: Li2S-P2S5 glasses and Li7P3S11 glass-ceramic

被引：37

作者：

Mori, Kazuhiro ^{[1
]}

Ichida, Tomoharu ^{[1
]}

Iwase, Kenji ^{[2
]}

Otomo, Toshiya ^{[3
]}

Kohara, Shinji ^{[4
]}

Arai, Hajime ^{[5
]}

Uchimoto, Yoshiharu ^{[6
]}

Ogumi, Zempachi ^{[5
]}

Onodera, Yohei ^{[1
]}

Fukunaga, Toshiharu ^{[1
]}

机构：

[1] Kyoto Univ, Inst Res Reactor, Kumatori, Osaka 5900494, Japan

[2] Ibaraki Univ, Dept Mat Sci & Engn, Hitachi, Ibaraki 3168511, Japan

[3] High Energy Accelerator Res Org, Inst Mat Struct Sci, Tsukuba, Ibaraki 3050801, Japan

[4] Synchrotron Radiat Res Inst SPring 8, Kobe, Hyogo 6795198, Japan

[5] Kyoto Univ, Off Soc Acad Collaborat Innovat, Kyoto 6110011, Japan

[6] Kyoto Univ, Grad Sch Human & Environm Studies, Sakyo Ku, Kyoto 6068501, Japan

来源：

CHEMICAL PHYSICS LETTERS | 2013年 / 584卷

关键词：

BOND-VALENCE PARAMETERS; CRYSTAL-STRUCTURE; SOLID ELECTROLYTES; DIFFUSION; MODELS;

D O I：

10.1016/j.cplett.2013.08.016

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

For (Li2S)(x)(P2S5)(100-x) glasses and Li7P3S11 glass-ceramic, which are well-known lithium superionic conductors, the conduction pathways of lithium ions were predicted and visualized by combining reverse Monte Carlo (RMC) modeling and the bond valence sum (BVS) method using synchrotron X-ray and time-of-flight neutron diffraction data. The conduction pathways of the lithium ions could be classified into two types: lithium 'stable' and 'metastable' regions. In addition, it was found that a significant relationship exists between the topology of the conduction pathways of the lithium ions and the activation energy of the electrical conduction. (C) 2013 Elsevier B. V. All rights reserved.

引用

页码：113 / 118

页数：6

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