Understanding the interaction between heteroatom-doped carbon matrix and Sb2S3 for efficient sodium-ion battery anodes

Oscar A Jaramillo-Quintero; Royer Valentín Barrera-Peralta; Abdel Ghafour El Hachimi; Alfredo Guillén-López; Obed Pérez; Edilso Reguera; Marina Elizabeth Rincón; Jesús Muñiz

doi:10.1016/j.jcis.2020.10.044

Understanding the interaction between heteroatom-doped carbon matrix and Sb₂S₃ for efficient sodium-ion battery anodes

J Colloid Interface Sci. 2021 Mar:585:649-659. doi: 10.1016/j.jcis.2020.10.044. Epub 2020 Oct 21.

Authors

Oscar A Jaramillo-Quintero¹, Royer Valentín Barrera-Peralta², Abdel Ghafour El Hachimi², Alfredo Guillén-López², Obed Pérez³, Edilso Reguera³, Marina Elizabeth Rincón², Jesús Muñiz⁴

Affiliations

¹ CONACyT-Instituto de Energías Renovables, Universidad Nacional Autónoma de México, Priv. Xochicalco s/n, Col. Centro, Temixco, Morelos CP 62580, Mexico; Instituto de Energías Renovables, Universidad Nacional Autónoma de México, Priv. Xochicalco s/n, Col. Centro, Temixco, Morelos CP 62580, Mexico. Electronic address: oajaq@ier.unam.mx.
² Instituto de Energías Renovables, Universidad Nacional Autónoma de México, Priv. Xochicalco s/n, Col. Centro, Temixco, Morelos CP 62580, Mexico.
³ Instituto Politécnico Nacional, Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Legaria 694, Ciudad de México, Mexico.
⁴ Instituto de Energías Renovables, Universidad Nacional Autónoma de México, Priv. Xochicalco s/n, Col. Centro, Temixco, Morelos CP 62580, Mexico. Electronic address: jms@ier.unam.mx.

PMID: 33153713
DOI: 10.1016/j.jcis.2020.10.044

Abstract

Increasing the electrochemical performance of electrode materials in sodium ion batteries (NIBs) remains a major challenge. Here, a combined experimental and theoretical investigation on the modification induced by Sb₂S₃ embedded in a heteroatom-doped 3D carbon matrix (CM) for efficient anodes in NIBs is presented. The structural and chemical characterization demonstrates the successful doping of 3D CM with S and Sb atoms. When evaluated as anode materials for NIBs, the heteroatom-doped nanocomposites delivered a better cycling stability and superior rate capability than those of undoped Sb₂S₃/CM anodes. First principle calculations were used at the Density Functional Theory level to systematically study the Sb₂S₃/CM and Sb₂S₃/heteroatom doped-CM composites, as NIBs anodes. Doping the carbon substrate by heteroatoms improved the adsorption of Sb₂S₃ on the matrix and allowed for ionic/covalent attraction with the Sb₂S₃ nanoparticle, respectively. Such results could be used to model the stabilty of the composite architectures observed in the experiment, for superior cycling stability.

Keywords: DFT; Energy storage; Heteroatom doping; Na-ion battery.