Abstract
Developing carbon based anode materials for alkali and alkaline earth metal ion batteries is important for the development of non-Li metal ion batteries. From density functional theory calculations, we studied alkali metal (Li, Na, K, and Rb) and alkaline earth metal (Be, Mg, Ca, Sr, and Ba) ions adsorption on penta-graphene (PG), which is a novel two dimensional (2D) carbon isomer composed of both sp2 and sp3 hybridized C-atoms. Strong correlations are observed between the adsorption energy and the electronegativity of the M-atoms, namely, smaller electronegativity corresponds to lower adsorption energy. The suitable Ca-ion intercalation potential (~117 mV), metallic electronic structures of Ca-ion adsorbed PG, low Ca-ion diffusion energy barriers (0.36 eV to 0.51 eV), and high specific capacity (1487.6 mAh/g) suggest that PG can be applied as an excellent anode material for Ca-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.
