Understanding pseudocapacitance and the SO32- reduction mechanism on Fe3O4 electrode surface: A combined theoretical and experimental study
Por:
Montañez-Molina M., Celaya C.A., Castro-Ocampo O., Frausto D., Delesma C., Solórzano M., Porto R.L., Medina J.A.L., Muñiz J., Cuentas-Gallegos A.K.
Publicada:
1 ene 2025
Ahead of Print:
1 oct 2025
Resumen:
Supercapacitors have emerged as promising energy storage devices due to their high power density and rapid charge–discharge cycles. The performance of supercapacitors is highly dependent on the electrolyte–electrode interaction, particularly the charge transfer mechanism at the interface of the electrode material. This work explores the charge transfer dynamics between SOx (x=1-3) electrolytes on the Fe3O4 surface as an electrode material, based on a combined theoretical-experimental study framework. Density functional theory (DFT) calculations provide insights into the adsorption behavior, electronic structure modifications, and charge transfer characteristics of SOx species on the Fe3O4 electrode. The surface structure of Fe3O4 was analyzed by using X-ray diffraction (XRD), Rietveld and TEM techniques. In addition, cyclic voltammetry (CV) measurements were employed to evaluate electrochemical performance with the SOx-based electrolyte. The reaction pathway reveals a probable capacitance mechanism involving the sequential redox reactions of SO23-, SO22-, SO-, and finally S2- ions on the Fe3O4 surface. The theoretical modeling approach allows us to understand the charge transfer of ions in the electrolyte when they interact with electrodes in which the pseudocapacitance properties are essential for understanding the electronic structure mechanisms involved in energy storage devices. © 2025 The Authors.
Filiaciones:
Montañez-Molina M.:
Centro de Investigación Científca y Educación Superior de Ensenada-CICESE, Ensenada, 22860, Mexico
Celaya C.A.:
Centro de Nanociencias y Nanotecnología, Universidad Nacional Autónoma de México, Km 107 Carretera Tijuana-Ensenada, Ensenada, B.C., C.P. 22800, Mexico
Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Circuito Exterior s/n Ciudad Universitaria, Apartado Postal 70-360, Coyoacán, Ciudad de México, CP 04510, Mexico
Castro-Ocampo O.:
Instituto de Energías Renovables, Universidad Nacional Autónoma de México, Priv. Xochicalco s/n, Col. Centro, Temixco, Morelos., CP 62580, Mexico
Frausto D.:
Centro de Investigación Científca y Educación Superior de Ensenada-CICESE, Ensenada, 22860, Mexico
Delesma C.:
Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Circuito Exterior s/n Ciudad Universitaria, Apartado Postal 70-360, Coyoacán, Ciudad de México, CP 04510, Mexico
Solórzano M.:
Centro de Nanociencias y Nanotecnología, Universidad Nacional Autónoma de México, Km 107 Carretera Tijuana-Ensenada, Ensenada, B.C., C.P. 22800, Mexico
Porto R.L.:
Universidad Autónoma de Nuevo León, Facultad de Ingeniería Mecánica y Eléctrica, San Nicolás de los Garza, Nuevo León, 66450, Mexico
Medina J.A.L.:
SECIHTI – IxM - Centro de Nanociencias y Nanotecnología, Universidad Nacional Autónoma de México, Carretera Tijuana-Ensenada Km 107 B.C., C.P. 22800, Mexico
Muñiz J.:
Instituto de Energías Renovables, Universidad Nacional Autónoma de México, Priv. Xochicalco s/n, Col. Centro, Temixco, Morelos., CP 62580, Mexico
Cuentas-Gallegos A.K.:
Centro de Nanociencias y Nanotecnología, Universidad Nacional Autónoma de México, Km 107 Carretera Tijuana-Ensenada, Ensenada, B.C., C.P. 22800, Mexico
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