Structural Modeling and XRD Analysis of (PVA:LiOH)–Fe₃O₄ Composite Electrolyte for Supercapacitor Applications
DOI:
https://doi.org/10.30872/1twm3k85Keywords:
Composite electrolyte, Magnetic supercapacitor, X-ray diffraction simulation, Ionic conductivity, Fe₃O₄-filled polymer electrolyteAbstract
The development of supercapacitors requires electrolyte membranes with high ionic conductivity and magnetic properties to enhance energy storage performance. This study aims to visualize the crystal structure and simulate the X-ray diffraction (XRD) patterns of the (PVA:LiOH)–Fe₃O₄ composite electrolyte membrane using the VESTA software as the basis for analyzing its potential application in magnetic supercapacitors. The material was synthesized through the sol–gel method, with PVA serving as the polymer matrix, LiOH as the lithium ion source, and Fe₃O₄ as the magnetic filler. Crystal structure characterization was performed using XRD measurements, followed by modeling of the Fe₃O₄ and LiOH crystalline phases based on reference CIF data, while PVA was represented as an amorphous matrix. The simulated multiphase XRD pattern was validated against experimental data to confirm the agreement between diffraction peaks and crystal phases. The three-dimensional supercell visualization revealed the spatial distribution of Fe₃O₄ and LiOH particles within the polymer matrix. Electrical measurements demonstrated an increase in ionic conductivity from the order of 10⁻⁴ S/cm in PVA:LiOH membranes to 10⁻³ S/cm after Fe₃O₄ incorporation. This enhancement is attributed to the formation of more efficient ion transport pathways resulting from the interaction between the magnetic filler and the polymer matrix. The simulated XRD results reinforce the correlation between crystal structure, phase distribution, and ionic conductivity performance. These findings suggest that the (PVA:LiOH)–Fe₃O₄ composite possesses strong potential as an electrolyte membrane for magnetic supercapacitors, opening opportunities for developing materials with combined electrochemical and magnetic properties to improve energy storage efficiency.
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[1] X. Zhang, Y. Wang, and J. Sun, “Recent advances in high-power supercapacitors: Materials, device configurations, and applications,” Energy Storage Materials, vol. 45, pp. 234–256, 2022.
[2] R. K. Gupta et al., “High-performance polymer electrolytes for next-generation energy storage devices,” Journal of Energy Storage, vol. 70, 107245, 2023.
[3] S. Pan, Q. Li, and H. Huang, “Progress in solid polymer electrolytes for flexible electrochemical storage,” Electrochimica Acta, vol. 354, 136743, 2020.
[4] F. Chen, X. Jiang, and D. Wu, “Structural and electrochemical properties of PVA-based polymer electrolytes: A comprehensive review,” Polymer Testing, vol. 101, 107304, 2021.
[5] L. Sun et al., “Ionic transport mechanisms in lithium-doped polymer matrices,” Solid State Ionics, vol. 383, 115012, 2022.
[6] S. Aldalbahi et al., “Advanced polymer–nanoparticle composites for electrochemical applications,” ACS Applied Polymer Materials, vol. 3, no. 8, pp. 4030–4042, 2021.
[7] T. Paul et al., “Surface-modified Fe₃O₄ nanoparticles for improved electrochemical energy storage,” Applied Surface Science, vol. 595, 153496, 2022.
[8] H. Rahman, M. A. Alam, and S. Basu, “Magnetic nanocomposites for energy storage applications: A structural and electrochemical study,” Ceramics International, vol. 49, no. 2, pp. 2574–2586, 2023.
[9] M. Chakraborty, S. Das, and P. Mitra, “Amorphous behavior in PVA-based electrolytes and its impact on ionic conduction,” Polymer Testing, vol. 100, 107280, 2021.
[10] N. Santos, J. Martin, and C. Rodrigues, “Hydroxyl-rich PVA matrices for ion transport enhancement,” Polymers, vol. 15, no. 4, 912, 2023.
[11] A. A. Yusof, F. Aziz, S. A. Shukur, and M. I. M. Satar, “Electrical and magnetic properties of polymer electrolyte (PVA:LiOH) containing in situ dispersed Fe₃O₄ nanoparticles,” Journal of Materials Science: Materials in Electronics, vol. 31, no. 22, pp. 19184–19195, 2020.
[12] R. Munir, M. H. Abdullah, N. E. Husin, and A. S. Jumadi, “The solid state dispersion method for synthesizing eggshells ES/TiO₂ composite to enhance photocatalytic degradation of methylene blue,” Materials Chemistry and Physics, vol. 295, 127074, 2023.
[13] S. K. Sahu, B. Panda, and R. Rout, “Bragg diffraction and XRD-based structural analysis of nanomaterials,” Materials Chemistry and Physics, vol. 305, 127837, 2023.
[14] M. Z. Hasan et al., “Advances in lattice parameter refinement using powder diffraction,” Journal of Applied Crystallography, vol. 54, pp. 1022–1031, 2021.
[15] G. Mir, A. K. Sharma, and V. Singh, “Nanocrystalline domain estimation using modified Scherrer models,” Ceramics International, vol. 49, no. 1, pp. 945–953, 2023.
[16] K. Momma and F. Izumi, “VESTA 3 for three-dimensional visualization of crystal structures,” Journal of Applied Crystallography, vol. 53, pp. 226–235, 2020.
[17] Crystallography Open Database (COD), “Open-access crystallographic repository,” 2023. [Online]. Available: https://www.crystallography.net/cod/
[18] P. Singh et al., “Ion transport in polymer–inorganic hybrid electrolytes,” Solid State Ionics, vol. 379, 115028, 2021.
[19] A. Bordun, M. Tofan, and A. Rusu, “Multiphase structure behavior of polymer-based electrolytes,” Molecules, vol. 26, no. 7, 2052, 2021.
[20] R. X. Li et al., “Analysis of magnetic filler effects in polymer nanocomposites,” Renewable and Sustainable Energy Reviews, vol. 169, 113078, 2023.
[21] Y. Wu, W. Zhang, and Z. Chen, “Nanostructured Fe₃O₄ for pseudocapacitive applications,” Electrochimica Acta, vol. 389, 138807, 2021.
[22] J. Luo et al., “Polyhedral inorganic frameworks for enhanced ion mobility,” Advanced Functional Materials, vol. 33, 2211153, 2023.
[23] X. Zhou and F. Gao, “Hybrid oxide–polymer systems for high-performance supercapacitors,” Energy Storage, vol. 5, e315, 2022.
[24] M. Feng, R. Yin, and L. Han, “Interfacial interactions in polymer/oxide composite electrolytes,” Journal of Materials Chemistry A, vol. 11, pp. 12450–12463, 2023.
[25] S. Kalita et al., “Role of polymer–filler interfaces in ion conduction pathways,” Journal of Applied Polymer Science, vol. 139, 52878, 2022.
[26] L. Wu, D. Chen, and H. Wang, “Magnetite-based nanocomposites for electrochemical devices,” Electrochimica Acta, vol. 365, 137346, 2021.
[27] J. Zhang, P. Huang, and B. Liu, “Structure–property correlations in PVA–Li-based polymer electrolytes,” Journal of Power Sources, vol. 455, 227996, 2020.
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