Assembling biphenylene into 3D porous metallic carbon allotrope for promising anode of lithium-ion batteries

Abstract

Since the discovery of graphene, 2D carbon materials and their assembled 3D porous materials have been hotly pursued. Motivated by the recent successful synthesis of biphenylene [Science 372 (2021) 852], we design a biphenylene-nanoribbon-based 3D porous carbon allotrope. The assembled structure (named Tet-C52) possesses excellent stability, low mass density (0.86 g cm-3), and high electric conductivity due to its intrinsic metallicity. More importantly, Tet-C52 structure is found to be a promising anode material for Li-ion batteries, exhibiting a higher storage capacity (458 mAh g−1), lower diffusion energy barrier (0.09 eV), and smaller volume change (1.5%) than that of the commercialized graphite anode. For future fabrication, a possible synthesis procedure of Tet-C52 is also discussed for precursors and computed X-ray diffraction patterns.