Graphitic SiC: A potential anode material for Na‐ion battery with extremely high storage capacity

Abstract

Bulk SiC phases with tetrahedral arrangements have been identified several decades ago, and have been widely studied due to their potential applications. Until recently, Yaghoubi et al.'s experiment (Chem. Mater. 2018, 30, 7234) observed the existence of graphitic SiC with few SiC layers stacking, which implies the possible synthesis of such material in the future. In this work, we explored the potential application of graphitic SiC as the Na-ion battery anode via the first-principle simulation. Our results reveal that the theoretical capacity of graphitic SiC reaches up to 1339.44 mAh/g, which is almost the highest among the already known Na-ion battery anodes. Together with the low diffusion barrier, moderate open circuit voltage and excellent electronic conductivity during the sodiation, we propose that the graphitic SiC is a potential material as Na-ion battery anode. More importantly, we find that the intercalation strength of Na ions into C-based multilayer materials (or the corresponding theoretical capacity, the operation voltage) could be enhanced by increasing the amount of covalent components in Na C bonds, which could be realized via doping by atom (such as Li, Be, B, Al, Si or P) with lower electronegativity than that of C atom.

Quasi Three-Dimensional Tetragonal SiC Polymorphs as Efficient Anodes for Sodium-Ion Batteries

“…Most forms of SiC are chemically bonded via a sp 3 -type hybridization and show a wide band gap semiconducting nature. Moreover, is the graphitic silicon carbide (1:1) predicted to be a semiconductor, ,− and even the graphene-like stable monolayer h SiC, with an alternating Si and C arrangement and sp 2 -type hybridization, shows an insulating band structure contrary to the Dirac cones found in pure graphene. Only the work by Qin et al has revealed a semimetal siligraphene monolayer with CC and SiSi bonds in a paired configuration in a 1:1 ratio of Si and C, which facilitate the reinstatement of the Dirac cone along the G-Y k -path .…”

Manufacturing of Complex Silicon–Carbon Structures: Exploring SixCy Materials

“…Furthermore, silicon, carbon, and SiC can show different properties and functionalities useful for various applications depending on their dimensions [ 13 , 14 , 15 , 16 , 17 , 18 , 19 ]. For example, in our previous work [ 20 ], we reported the synthesis of graphene foam and three-dimensional graphene composites that showed remarkable electrochemical and mechanical properties when used for supercapacitor applications.…”