Journal Article

FZJ-2017-02610

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Investigation of crystal structure and ionic transport in a scandium-based NASICON material by neutron powder diffraction

Guin, M.FZJ* ; Dashjav, E. (Corresponding author)FZJ* ; Kumar, C. M. N. ; Tietz, F.FZJ* ; Guillon, O.FZJ*

2017
Elsevier Amsterdam [u.a.]

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Please use a persistent id in citations: doi:10.1016/j.solidstatesciences.2017.03.005

Abstract: A study of the series Na3+xSc2SixP3-xO12 (0 < x < 0.8) revealed very high ionic conductivity values at room temperature. The structural investigation of the substitutional disorder and position of the very mobile Na+ ions in the crystal structure is the key to understanding the structure-property-chemical bonding relationships. Therefore neutron powder diffraction was carried out at 300 and 100 K on Na3.4Sc2Si0.4P2.6O12 to refine the structural parameters and to elucidate the Na+ distribution in the crystal structure.The refinement of the structure revealed that two phases are present, one rhombohedral Si-rich phase and one monoclinic Na3Sc2P3O12 phase. The ratio of the two phases is 1:1 and they possess similar lattice parameters. The hopping distances of the Na+ ions and the size of the bottleneck for Na+ conduction were calculated and explained the high conductivity of the sample.

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Contributing Institute(s):

1. Werkstoffsynthese und Herstellungsverfahren (IEK-1)
2. Helmholtz-Institut Münster Ionenleiter für Energiespeicher (IEK-12)
3. JARA-ENERGY (JARA-ENERGY)
4. Streumethoden (JCNS-2)

Research Program(s):

1. 131 - Electrochemical Storage (POF3-131) (POF3-131)

Appears in the scientific report 2017

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Database coverage:
Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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