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Novel two-dimensional SiC.sub.2 monolayer with potential as a superior anode for sodium-ion batteries

Journal of materials science, 2022-10, Vol.57 (39), p.18406 [Peer Reviewed Journal]

COPYRIGHT 2022 Springer ;ISSN: 0022-2461 ;EISSN: 1573-4803 ;DOI: 10.1007/s10853-022-07766-9

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  • Title:
    Novel two-dimensional SiC.sub.2 monolayer with potential as a superior anode for sodium-ion batteries
  • Author: Li, Chaolan ; Wang, Xiao ; Zheng, Xingrui ; Yuan, Zhentao ; Wang, Yuan
  • Subjects: Batteries ; Mechanical properties ; Silicon
  • Is Part Of: Journal of materials science, 2022-10, Vol.57 (39), p.18406
  • Description: Based on first-principles calculations, we report a new type of two-dimensional SiC.sub.2 (kust-[alpha]) composed of hexagons and decagonal rings. Kust-[alpha] had a stable two-dimensional structure with anisotropic mechanical properties and a small volume expansion of 8.12%. The feasibility of using the kust-[alpha] monolayer as a anode material for sodium-ion batteries (SIBs) was evaluated. The results show that kust-[alpha] exhibits a high theoretical capacity for SIBs, and reaches 1203 mAh·g.sup.-1 on two sides, which is much larger than traditional graphite materials. Kust-[alpha] has an open circuit voltage that is much lower than other materials and a relatively low diffusion energy barrier, which shows its good potential as an anode material for SIBs. In addition, a possible facile synthesis route for the kust-[alpha] approach was proposed. These interesting findings provide a new negative electrode material for SIBs, and a new strategy was proposed to reduce the expansion of silicon-based electrode materials.
  • Publisher: Springer
  • Language: English
  • Identifier: ISSN: 0022-2461
    EISSN: 1573-4803
    DOI: 10.1007/s10853-022-07766-9
  • Source: AUTh Library subscriptions: ProQuest Central
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