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Synthesis, characterization, electrical properties, and Na+ transport pathways simulation in Na2ZnP1.5As0.5O7

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Abstract

A new sodium zinc di(phosphate/arsenate) Na2ZnP1.5As0.5O7 has been synthesized as polycrystalline powder by solid-state reaction at 550°C, and its structure was determined by using the Rietveld refinement. The structural model of Na2ZnP1.5As0.5O7 has been supported by the two models of validation the charge distribution (CHARDI) and bond valence sum (BVS). The vibration mode of the diphosphate-diarsenate absorption bands has been studied by infrared spectroscopy technique. As quantitative analysis, ICP-MS has been used to prove the Na2ZnP1.5As0.5O7 formula, especially P/As ratio. The electrical properties of the title compound have been determined by impedance spectroscopy in the 330–560°C temperature range. The conductivity varied between 1.14 10-7 S.cm−1 at 330 °C and 7.41 10−6 S.cm−1 at 500°C and the activation energy value is Ea=0.937 eV. The simulation of sodium transport pathways by the means of the BVSE (bond valence site energy) model shows 2D pathways in the interlayer’s space. The empirical activation energy deduced from the BVSE model is about 0.936 eV.

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Acknowledgements

The authors extend their appreciation to the Deanship of Scientific Research at King Khalid University for funding this work through Research Group Program under grant number (R.G.P.1/141/40).

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Authors and Affiliations

  1. Solid State Laboratory, Faculty of Sciences, University of Sfax, 1171, 3000, Sfax, Tunisia

    Yossra Sallemi & Mohsen Graia

  2. Chemistry Department, College of Science, King Khalid University, Abha, 61413, Saudi Arabia

    Riadh Marzouki & Adel A. El-zahhar

  3. Laboratory of Materials, Crystal Chemistry and Applied Thermodynamics, LR15ES01, Faculty of Sciences of Tunis, University of Tunis El Manar, 2092, Tunis, Tunisia

    Riadh Marzouki

  4. Laboratory of valorization of useful materials, National Center of Materials Sciences Research, Technopole Borj Cedria, BP 73, 8027, Soliman, Tunisia

    Youssef Ben Smida

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  1. Yossra Sallemi
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Correspondence to Riadh Marzouki.

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Sallemi, Y., Marzouki, R., Ben Smida, Y. et al. Synthesis, characterization, electrical properties, and Na+ transport pathways simulation in Na2ZnP1.5As0.5O7. Ionics 27, 3051–3061 (2021). https://doi.org/10.1007/s11581-021-04059-0

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