Three-dimensional porous phosphorus-graphdiyne as a universal anode material for both K- and Ca-ion batteries with high performance

摘要

Motivated by the recent synthesis of 2D boron-graphdiyne and P-doped graphdiyne, for the first time we report a 3D porous phosphorus-graphdiyne (termed 3D-PGDY) with an ultra-low mass density of 0.48 g cm3, which is stable thermally and dynamically. Moreover, the unique bonding environment of sp-hybridizing provide multiple adsorption sites for K and Ca ions, and the uniformly distributed pores provide the channel for ion transport, exhibiting ultrahigh specific capacity of 1064.56 (2129.12 mAhg 1), low diffusion barriers of 0.1 (0.35 eV), the low open-circuit voltage of 0.27 (0.35 V), and small volume expansion of 2.43 (2.32%) for K (Ca) ion. These outstanding properties demonstrate that assembling graphdiyne into 3D porous structures is very promising for developing novel battery materials.commentSuperscript/Subscript Available/comment