Bi–C monolayer as a promising 2D anode material for Li, Na, and K-ion batteries

Abstract

First principles calculations show that Bi–C monolayers are an excellent candidate for alkali metal ion batteries.

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

“…The calculated TSC is found to be 628 mA h g À1 for Na/K storages. Compare with the previously reported 2D anode materials (see Table S3, ESI †), the high capacity for bilayer TCOF as NIBs/KIBS is higher than monolayer Bi-C (485/364 mA h g À1 for Na/K), 36 b-In 2 Se 3 (230 mA h g À1 for Na/K), 37 BP (143/570 mA h g À1 for Na/K), 35 GeS (512/256 mA h g À1 for Na/K), 38 Mo 2 CrC 2 (297.91/154.88 mA h g À1 for Na/K), 39 Ti 3 C 2 (351.8/191.8 mA h g À1 for Na/K), 40 VS 2 /graphene (578 mA h g À1 for Na) 28 and MnC (475/235 mA h g À1 for Na/K). 41 Finally, we compute the OCV of Na/K intercalation in order to better understand the electrochemical properties of the bilayer TCOF as the battery anode material.…”

C6N2S monolayer: an auxetic material with ultralow diffusion barrier and high storage capacity for potassium-ion batteries

“…Notably, the barrier for K ions (0.03 eV) is significantly lower than that for Li (0.21 eV) and Na (0.11 eV). Compared to the other 2D materials such as PC 6 (0.26 eV), 50 Si 3 C (0.18 eV), 51 and BiC (0.14 eV), 52 the C 6 N 2 S monolayer exhibits excellent ion transportation ability. Particularly, the diffusion of K ions along the V-shape channel is virtually barrier-free, indicating an exceptionally high rate performance for KIBs.…”

Two-Dimensional TOD-Graphene in a Honeycomb–Kagome Lattice: A High-Performance Anode Material for Potassium-Ion Batteries

“…F and M are the Faraday constant (26,801 mA h mol −1 ) and mole weight of TOD-graphene, respectively. Therefore, the theoretical capacity of TOD-graphene as an anode material for PIBs can reach up to 1115.8 mA h g −1 , which surpasses those of Bi−C (364 mA h g −1 ), 61 Si 3 C (836 mA h g −1 ), 62 and 2D pentadiamond (743.86 mA h g −1 ), 24 indicating that TODgraphene is promising for high-capacity PIBs.…”