Monolayer Be2P3N as a high capacity and high energy density anode material for ultrafast charging Na- and K-ion batteries

BC6P Monolayer: Isostructural and Isoelectronic Analogues of Graphene with Desirable Properties for K-Ion Batteries

“…We obtain an energy density of |−2.928 V + 0.44 V| × 1218 mAh/g = 3030 mWh/g for the BC 2 P monolayer and an energy density of |−2.928 V + 0.35 V| × 1410 mAh/g = 3635 mWh/g for the BC 6 P monolayer. The predicted monolayers thus outperform BC 3 (505 mWh/g) and B 2 S (1167 mWh/g), achieving values similar to those reported for BH (3059 mWh/g) and Be 2 P 3 N (3325 mWh/g) …”

“…The predicted monolayers thus outperform BC 3 (505 mWh/g) 18 and B 2 S (1167 mWh/g), 67 achieving values similar to those reported for BH (3059 mWh/g) 61 and Be 2 P 3 N (3325 mWh/g). 68 ■ CONCLUSIONS By first principles swarm-intelligence structure search, we discover isostructural and isoelectronic analogues of graphene. We study their structures (Tables S3 and S4) and find excellent stability.…”

First principles study of a triazine-based covalent organic framework as a high-capacity anode material for Na/K-ion batteries

“…To solve these problems, it is necessary to design a potential anode material with stable structures and high storage capacity and favourable diffusion performance to improve its electrochemical properties for NIBs/KIBs. Recently, several two-dimensional (2D) materials have been reported as highperformance anode materials for NIBs and KIBs, including Si 3 C, 13 ZrC 2 , 14 b-AsP, 15 B 7 N 5 , 16 and Be 2 P 3 N. 17 However, NIB/ KIB anode materials based on bilayer TCOFs have been rarely reported, which encourages us to study the physicochemical mechanism behind TCOF materials and provide theoretical guidance for the practical application of these materials in experiments. 11,18 In this work, we thoroughly study a bilayer TCOF as a highperformance anode material for NIBs and KIBs based on density functional theory (DFT) calculations.…”

A TiSe monolayer as a superior anode for applications of Li/Na/K-ion batteries

“…In recent years, besides graphene, many other two-dimensional (2D) materials have been investigated and reported as anode materials. These include transition-metal carbides or nitrides (MXenes), 12 metal chalcogenides, [22][23][24][25] metal oxides (TMOs), 26,27 and compounds made up of elements from groups IIIA, IVA, VA, or VIA (Be 2 P 3 , 28 BSi, 29 C 3 N, 30 and GeP 3…”

“…In recent years, besides graphene, many other two-dimensional (2D) materials have been investigated and reported as anode materials. These include transition-metal carbides or nitrides (MXenes), 12 metal chalcogenides, 22–25 metal oxides (TMOs), 26,27 and compounds made up of elements from groups IIIA, IVA, VA, or VIA (Be 2 P 3 , 28 BSi, 29 C 3 N, 30 and GeP 3 31 ). Overall, these anode candidates possess a distinct capacity to offer vast surface areas, which makes them a promising option for LIBs/NIBs/KIBs in many ways.…”