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Influence on the Electrocatalytic Water Oxidation of M2+/M3+ Cation Arrangement in NiFe LDH: Experimental and Theoretical DFT Evidences

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Abstract

This contribution reports the effect of the iron content and M2+/M3+ ratio cation arrangement-distribution on the oxygen evolution reaction (OER) catalyzed by layered double hydroxides. The electrocatalysts, containing variable contents of Ni and Fe, were successfully prepared through a homogeneous precipitation method. The formation of LDH structure was verified by powder X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR). Other properties were determined such as specific surface area, electrical conductivity, and surface basicity. First-principles DFT+U calculations complemented and supported the electrochemical results. According to both the electrochemical and simulation results, the increase of the catalytic activity for the OER on the presence of Fe3+ is closely related with the configuration and distribution of Fe and Ni cations in the brucite layer structure. The effect of iron is indirect, favoring the electron hopping on the Ni sites for certain local configuration.

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Acknowledgements

This study was partially supported by the CONACYT (Mexico) Projects 2013-05-231461, CONACYT INFRA 2014-225161, SIP-IPN 20170776, and CB-2014-01-235840.

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Authors and Affiliations

  1. Instituto Politécnico Nacional, ESIQIE-Departamento de Ingeniería Química, Laboratorio de Investigación en Materiales Porosos, Catálisis Ambiental y Química Fina, UPALM Edif. 7 P.B. Zacatenco, GAM, CDMX, 07738, Mexico City, Mexico

    Ariel Guzmán-Vargas & Juvencio Vazquez-Samperio

  2. Instituto Politécnico Nacional, Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Calzada Legaria 694, Col. Irrigación, 11500, Mexico City, Mexico

    Juvencio Vazquez-Samperio, Miguel A. Oliver-Tolentino & Edilso Reguera

  3. Departamento de Química, Catedra CONACYT comisionado a Universidad Autónoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco 186. Col. Vicentina, 09340, Mexico City, Mexico

    Guadalupe Ramos-Sánchez

  4. Área de Química de Materiales, Universidad Autónoma Metropolitana-Azcapotzalco, Av. SanPablo180, Col. Reynosa Tamaulipas, 02200, Mexico City, Mexico

    Jorge L. Flores-Moreno

Authors
  1. Ariel Guzmán-Vargas
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  2. Juvencio Vazquez-Samperio
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  3. Miguel A. Oliver-Tolentino
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  4. Guadalupe Ramos-Sánchez
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  5. Jorge L. Flores-Moreno
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  6. Edilso Reguera
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Correspondence to Ariel Guzmán-Vargas or Edilso Reguera.

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Guzmán-Vargas, A., Vazquez-Samperio, J., Oliver-Tolentino, M.A. et al. Influence on the Electrocatalytic Water Oxidation of M2+/M3+ Cation Arrangement in NiFe LDH: Experimental and Theoretical DFT Evidences. Electrocatalysis 8, 383–391 (2017). https://doi.org/10.1007/s12678-017-0383-9

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  • DOI: https://doi.org/10.1007/s12678-017-0383-9

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