A two-dimensional metallic SnB monolayer as an anode material for non-lithium-ion batteries

Abstract

Na, K and Mg-ion batteries (NIBs, KIBs and MIBs) have drawn considerable interest due to their high abundance and excellent safety. However, the lack of high-performance anode materials is a...

Novel Boron-Doped Biphenylene Network as High-Capacity Anodes for Metal Ions Batteries: From Monolayer to Bilayer Structure

“…From eqs and , respectively, Young’s modulus ( E ) and Poisson’s ratio ( v ) were determined. a = cos θ and β = sin θ, where θ is the angle measured perpendicular to a . Figure e,f shows the planar Young’s modulus E (θ) and Poisson’s ratio v (θ) in polar coordinates 125.39 and 101.59 N/m, respectively, which is much larger than other widely used anode materials, such as 2D MoS 2 (121 N/m), 1H-BeP 2 (65.5 N/m), silicene (62 N/m), SiP 3 (62.3 N/m), and BSn (48.58 N/m), comparable to B 3 S (137 N/m) and Ti 2 C (129 N/m), but lower than that of graphene (333 N/m); the Young’s moduli along the a - and b -axes of the ring in the image indicates that the mechanical characteristics of B-doped biphenylene were anisotropic. − From the a -axis to the b -axis, Poisson’s ratio climbed and subsequently declined, reaching a maximum and lowest of 0.36 and 0.29, respectively. In the range of angles between 20 and 80°, the Poisson’s ratio was greater than 0.26, suggesting the ductility of B-doped biphenylene.…”

Prediction of a planar BxP monolayer with inherent metallicity and its potential as an anode material for Na and K-ion batteries: a first-principles study

“…Remarkably, along the zigzag direction, both Na and K ions exhibit the lowest diffusion energy barriers, which are 0.20-0.21 eV for Na and 0.07 eV for K. These values are comparable to those observed for other 2D materials, such as phosphorene (Na: 0.22 eV), 29 and lower than b 12 borophene (Na: 0.33 eV), 26 and w 3 borophene (Na: 0.34 eV). 26 Moreover, compared with other doped atoms, such as B 2 N (Na: 0.84 eV, K: 0.51 eV), 38 B 3 N (Na: 0.28 eV, K: 0.13 eV), 38 hydrogen boride (Na: 0.32 eV, K: 0.32 eV), 61 BSi (Na: 0.24 eV, K: 0.14 eV), 62 NiB 6 (Na: 0.23 eV, K: 0.14 eV), 63 BSn (Na: 0.22 eV, K: 0.68 eV), 64 and B 3 O (Na: 0.42 eV), 36 the introduction of P can improve the mobility of Na/K atoms on the surface of borophene.…”