Two-dimensional silicether as an excellent anode material for magnesium-ion battery with high capacity and fast diffusion ability

Rui Zhao, Xiao-Juan Ye () and Chun-Sheng Liu ()
Additional contact information
Rui Zhao: Nanjing University of Posts and Telecommunications
Xiao-Juan Ye: Nanjing University of Posts and Telecommunications
Chun-Sheng Liu: Nanjing University of Posts and Telecommunications

The European Physical Journal B: Condensed Matter and Complex Systems, 2023, vol. 96, issue 6, 1-7

Abstract: Abstract Exploring the excellent anode materials for metal-ion batteries is a hot spot in the energy storage field. Based on first-principles calculations, we propose two-dimensional (2D) silicether monolayer to be an outstanding anode for magnesium-ion batteries (MIBs). The relatively large adsorption energy (1.00 eV) for single Mg atom indicates good structural stability. Silicether could undergo the transition from semiconductor to metal even at a low Mg concentration (0.0625). Furthermore, silicether exhibits the low diffusion barrier (0.21 eV), the maximum storage capacity of 744 mAh g−1, and a suitable open-circuit voltage (0.69–0.84 eV). A slight deformation and volume changes during full intercalation of Mg reveal a favorable cyclability. The above results suggest that silicether could be a promising candidate for MIBs. Graphical abstract Silicether as a new anode material for MIBs: fast ion mobility, high storage capacity,and appropriate OCV.

Date: 2023
References: Add references at CitEc
Citations:

Downloads: (external link)
http://link.springer.com/10.1140/epjb/s10051-023-00557-4 Abstract (text/html)
Access to the full text of the articles in this series is restricted.

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:spr:eurphb:v:96:y:2023:i:6:d:10.1140_epjb_s10051-023-00557-4

Ordering information: This journal article can be ordered from
http://www.springer.com/economics/journal/10051

DOI: 10.1140/epjb/s10051-023-00557-4

Access Statistics for this article

The European Physical Journal B: Condensed Matter and Complex Systems is currently edited by P. Hänggi and Angel Rubio

More articles in The European Physical Journal B: Condensed Matter and Complex Systems from Springer, EDP Sciences
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().