Abstract
Through first-principles calculations, we successfully identified a two-dimensional layered nitridosilicate-MnSi2N4 in hexagonal structure, as a novel anode for lithium (Li) and sodium (Na) ion batteries. Phonon and molecular dynamics simulations manifest the favorable dynamic stability of MnSi2N4. The predicted material exhibits metallic behavior with high Young’s modulus of 457 GPa and aqueous insolubility. MnSi2N4 possesses low diffusion barrier for Li (0.32 eV) and Na (0.19 eV), as well as high storage capacity as an anode for Li (320 mAh g−1) and Na (160 mAh g−1) ion batteries, respectively. These properties, including excellent electronic conductivity, low diffusion barrier, and high storage capacity, enable MnSi2N4 a promising anode for Li and Na ion batteries.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
