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Reverse Monte Carlo modeling of Li2S-P2S5superionic conductors

Authors :
Kazuhiro Mori
Toshiya Otomo
Yohei Onodera
Toshiharu Fukunaga
Masaaki Sugiyama
Alex C. Hannon
Source :
Journal of Physics: Conference Series. 340:012058
Publication Year :
2012
Publisher :
IOP Publishing, 2012.

Abstract

Synchrotron X-ray and neutron diffraction measurements were carried out for (7Li2S)x(P2S5)100?x glasses and a 7Li7P3Sn11 metastable crystal. The Reverse Monte Carlo (RMC) modeling provided us the three-dimensional structures of (7Li2S)x(P2S5)100?x and 7Li7P3S11, particularly the distribution of Li+ cations.

Subjects

Subjects :
History
Materials science
Condensed matter physics
Neutron diffraction
Reverse Monte Carlo
Molecular physics
Synchrotron
Computer Science Applications
Education
law.invention
Crystal
law
Metastability
Fast ion conductor

Details

ISSN :
17426596 and 17426588
Volume :
340
Database :
OpenAIRE
Journal :
Journal of Physics: Conference Series
Accession number :
edsair.doi...........dec791e3ccb1858b2ccd651603882599
Full Text :
https://doi.org/10.1088/1742-6596/340/1/012058
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