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Na11Sn2PS12: a new solid state sodium superionic conductor

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Abstract

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.

Graphical abstract: Na11Sn2PS12: a new solid state sodium superionic conductor

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Publication details

The article was received on 27 Oct 2017, accepted on 04 Dec 2017 and first published on 04 Dec 2017


Article type: Communication
DOI: 10.1039/C7EE03083E
Citation: Energy Environ. Sci., 2018, Advance Article
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    Na11Sn2PS12: a new solid state sodium superionic conductor

    Z. Zhang, E. Ramos, F. Lalère, A. Assoud, K. Kaup, P. Hartman and L. F. Nazar, Energy Environ. Sci., 2018, Advance Article , DOI: 10.1039/C7EE03083E

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