Na11Sn2PS12: a new solid state sodium superionic conductor

被引：249

作者：

Zhang, Z. ^{[1
,2
]}

Ramos, E. ^{[1
,2
]}

Lalere, F. ^{[1
,2
]}

Assoud, A. ^{[1
,2
]}

Kaup, K. ^{[1
,2
]}

Hartman, P. ^{[3
]}

Nazar, Linda F. ^{[1
,2
]}

机构：

[1] Univ Waterloo, Dept Chem, Dept Chem Engn, Waterloo, ON N2L 3G1, Canada

[2] Univ Waterloo, Waterloo Inst Nanotechnol, Waterloo, ON N2L 3G1, Canada

[3] BASF SE, Ludwigshafen, Germany

来源：

ENERGY & ENVIRONMENTAL SCIENCE | 2018年 / 11卷 / 01期

关键词：

DYNAMICS; DIFFUSION; DESIGN; SI;

D O I：

10.1039/c7ee03083e

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We report a new sodium superionic conductor, Na11Sn2PS12, that crystallizes in an unprecedented three-dimensional structure type and exhibits an ionic conductivity of 1.4 mS cm(-1), with a very low activation energy barrier for Na-ion mobility of 0.25 eV. A combination of structural elucidation via single crystal X-ray diffraction and ab initio molecular dynamics simulations show that Na+-ion conduction pathways flow through equi-energetic sodium-sulfur octahedra interconnected by partial vacancy cross-over sites in all crystallographic dimensions, providing an understanding of the underlying isotropic 3D fast-ion conduction in this material.

引用

收藏

页码：87 / 93

页数：7

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