LAPSE:2020.0449
Published Article
LAPSE:2020.0449
Synthesis, Electrical Properties and Na+ Migration Pathways of Na2CuP1.5As0.5O7
May 18, 2020
Abstract
A new member of sodium metal diphosphate-diarsenate, Na2CuP1.5As0.5O7, was synthesized as polycrystalline powder by a solid-state route. X-ray diffraction followed by Rietveld refinement show that the studied material, isostructural with β-Na2CuP2O7, crystallizes in the monoclinic system of the C2/c space group with the unit cell parameters a = 14.798(2) Å; b = 5.729(3) Å; c = 8.075(2) Å; β = 115.00(3)°. The structure of the studied material is formed by Cu2P4O15 groups connected via oxygen atoms that results in infinite chains, wavy saw-toothed along the [001] direction, with Na+ ions located in the inter-chain space. Thermal study using DSC analysis shows that the studied material is stable up to the melting point at 688 °C. The electrical investigation, using impedance spectroscopy in the 260−380 °C temperature range, shows that the Na2CuP1.5As0.5O7 compound is a fast-ion conductor with σ350 °C = 2.28 10−5 Scm−1 and Ea = 0.6 eV. Na+ ions pathways simulation using bond-valence site energy (BVSE) supports the fast three-dimensional mobility of the sodium cations in the inter-chain space.
A new member of sodium metal diphosphate-diarsenate, Na2CuP1.5As0.5O7, was synthesized as polycrystalline powder by a solid-state route. X-ray diffraction followed by Rietveld refinement show that the studied material, isostructural with β-Na2CuP2O7, crystallizes in the monoclinic system of the C2/c space group with the unit cell parameters a = 14.798(2) Å; b = 5.729(3) Å; c = 8.075(2) Å; β = 115.00(3)°. The structure of the studied material is formed by Cu2P4O15 groups connected via oxygen atoms that results in infinite chains, wavy saw-toothed along the [001] direction, with Na+ ions located in the inter-chain space. Thermal study using DSC analysis shows that the studied material is stable up to the melting point at 688 °C. The electrical investigation, using impedance spectroscopy in the 260−380 °C temperature range, shows that the Na2CuP1.5As0.5O7 compound is a fast-ion conductor with σ350 °C = 2.28 10−5 Scm−1 and Ea = 0.6 eV. Na+ ions pathways simulation using bond-valence site energy (BVSE) supports the fast three-dimensional mobility of the sodium cations in the inter-chain space.
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Keywords
crystal structure, diphosphate-diarsenate, electrical properties, transport pathways simulation
Subject
Suggested Citation
ALQarni OSA, Marzouki R, Ben Smida Y, Alghamdi MM, Avdeev M, Belhadj Tahar R, Zid MF. Synthesis, Electrical Properties and Na+ Migration Pathways of Na2CuP1.5As0.5O7. (2020). LAPSE:2020.0449
Author Affiliations
ALQarni OSA: Chemistry Department, College of Science, King Khalid University, Abha 61413, Saudi Arabia
Marzouki R: Chemistry Department, College of Science, King Khalid University, Abha 61413, Saudi Arabia; Chemistry Department, Faculty of Sciences of Sfax, University of Sfax, Sfax 3038, Tunisia; Laboratoire de Matériaux, Cristallochimie et Thermodynamique Appliquée
Ben Smida Y: Laboratory of valorization of useful materials, National Center of Materials Sciences Research, Technopole Borj Cedria, BP 73, Soliman 8027, Tunisia
Alghamdi MM: Chemistry Department, College of Science, King Khalid University, Abha 61413, Saudi Arabia
Avdeev M: Australian Centre for Neutron Scattering, Australian Nuclear Science and Technology Organisation, Sydney 2234, Australia; School of Chemistry, The University of Sydney, Sydney 2006, Australia
Belhadj Tahar R: Chemistry Department, College of Science, King Khalid University, Abha 61413, Saudi Arabia
Zid MF: Laboratoire de Matériaux, Cristallochimie et Thermodynamique Appliquée, Faculté des Sciences de Tunis, Université de Tunis El Manar, El Manar II, Tunis 2092, Tunisia
Marzouki R: Chemistry Department, College of Science, King Khalid University, Abha 61413, Saudi Arabia; Chemistry Department, Faculty of Sciences of Sfax, University of Sfax, Sfax 3038, Tunisia; Laboratoire de Matériaux, Cristallochimie et Thermodynamique Appliquée
Ben Smida Y: Laboratory of valorization of useful materials, National Center of Materials Sciences Research, Technopole Borj Cedria, BP 73, Soliman 8027, Tunisia
Alghamdi MM: Chemistry Department, College of Science, King Khalid University, Abha 61413, Saudi Arabia
Avdeev M: Australian Centre for Neutron Scattering, Australian Nuclear Science and Technology Organisation, Sydney 2234, Australia; School of Chemistry, The University of Sydney, Sydney 2006, Australia
Belhadj Tahar R: Chemistry Department, College of Science, King Khalid University, Abha 61413, Saudi Arabia
Zid MF: Laboratoire de Matériaux, Cristallochimie et Thermodynamique Appliquée, Faculté des Sciences de Tunis, Université de Tunis El Manar, El Manar II, Tunis 2092, Tunisia
Journal Name
Processes
Volume
8
Issue
3
Article Number
E305
Year
2020
Publication Date
2020-03-06
ISSN
2227-9717
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Original Submission
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PII: pr8030305, Publication Type: Journal Article
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LAPSE:2020.0449
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https://doi.org/10.3390/pr8030305
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[v1] (Original Submission)
May 18, 2020
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May 18, 2020
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Calvin Tsay
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