Investigation of crystal structure and ionic transport in a scandium based NASICON material by neutron powder diffraction

被引：19
作者：
Guin, M. [1 ,2 ]
Dashjav, E. [1 ,2 ]
Kumar, C. M. N. [3 ,4 ]
Tietz, F. [1 ,2 ]
Guillon, O. [1 ,2 ,5 ]
机构：
[1] Forschungszentrum Julich, Inst Energy & Climate Res IEK 1, Mat Synth & Proc, D-52425 Julich, Germany
[2] Forschungszentrum Julich, Helmholtz Inst Munster, D-52425 Julich, Germany
[3] Oak Ridge Natl Lab, Outstn SNS, JCNS, Forschungszentrum Julich, Oak Ridge, TN 37831 USA
[4] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA
[5] JARA ENERGY, Julich Aachen Res Alliance, Aachen, Germany
来源：
SOLID STATE SCIENCES | 2017年 / 67卷
关键词：
Neutron diffraction; NASICON; Crystal structure; Ionic conductivity; BILBAO CRYSTALLOGRAPHIC SERVER; SUPERIONIC CONDUCTOR; SOLID-ELECTROLYTE; SODIUM BATTERIES; NA3SC2(PO4)3; DISORDER;
D O I：
10.1016/j.solidstatesciences.2017.03.005
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
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 arid 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. (C)2017 Elsevier Masson SAS. All rights reserved.
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收藏
页码：30 / 36
页数：7
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