A novel Tetrahexcarbon as a high-performance anode material for Na-ion and K-ion batteries

Abstract

The search for high storage capacity anode materials has been an important topic in the field of ion batteries. With the gradual development of two-dimensional (2D) materials, their potential as high-performance electrode materials have been demonstrated. Here, using first principles calculations, we investigate the feasibility of novel Tetrahexcarbon as a high-performance anode material for Na/K ion batteries. Our results indicate that Na/K ions can be chemically and stably adsorbed on the surface of Tetrahexcarbon. It is noteworthy that the Na capacity of Tetrahexcarbon is up to 2233.3 mAh g-1 and the K capacity up to 744.4 mAh g-1 with a guaranteed low diffusion barrier (0.14 eV for Na; 0.18 eV for K). Therefore, our calculations show that Tetrahexcarbon is an excellent anode material with great potential for ultra-high energy storage devices.