TY - JOUR
T1 - Understanding the interaction between heteroatom-doped carbon matrix and Sb2S3 for efficient sodium-ion battery anodes
AU - Jaramillo-Quintero, Oscar A.
AU - Barrera-Peralta, Royer Valentín
AU - El Hachimi, Abdel Ghafour
AU - Guillén-López, Alfredo
AU - Pérez, Obed
AU - Reguera, Edilso
AU - Rincón, Marina Elizabeth
AU - Muñiz, Jesús
N1 - Publisher Copyright:
© 2020 Elsevier Inc.
PY - 2021/3
Y1 - 2021/3
N2 - 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.
AB - 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.
KW - DFT
KW - Energy storage
KW - Heteroatom doping
KW - Na-ion battery
UR - http://www.scopus.com/inward/record.url?scp=85095574872&partnerID=8YFLogxK
U2 - 10.1016/j.jcis.2020.10.044
DO - 10.1016/j.jcis.2020.10.044
M3 - Artículo
C2 - 33153713
AN - SCOPUS:85095574872
SN - 0021-9797
VL - 585
SP - 649
EP - 659
JO - Journal of Colloid and Interface Science
JF - Journal of Colloid and Interface Science
ER -