A First-Principles study of monolayer and heterostructure antimonene as potential anode materials for Magnesium-ion batteries

Prominent Electrode Material for Na-, K-, and Mg-ion Batteries: 2D β-Sb Monolayer

“…Our aim is to overcome the drawbacks of Li-ion batteries and develop alternative forms of metal-ion batteries. As a substitute for bulk materials, two-dimensional (2D) materials are potential candidates for rechargeable batteries due to their distinct properties and high specific surface areas. − For this, some 2D materials were already studied at both experimental and theoretical levels and demonstrated probable applications as anodes for metal-ion batteries. , Liang et al recently reported that antimonenes in the form of monolayers and heterostructures are potential anode materials for Mg-ion batteries with the lowest diffusion energy of 45 meV and capacities of about 735 and 615 mAh/g for the Sb monolayer and the Sb/C2 heterostructure, respectively . Using first-principles calculations, Singh et al studied lithium polysulfides on antimonene phases, i.e., α-Sb and β-Sb, as promising anchoring materials for Li–S batteries.…”

“…11,12 Liang et al recently reported that antimonenes in the form of monolayers and heterostructures are potential anode materials for Mg-ion batteries with the lowest diffusion energy of 45 meV and capacities of about 735 and 615 mAh/g for the Sb monolayer and the Sb/C2 heterostructure, respectively. 13 Using firstprinciples calculations, Singh et al studied lithium polysulfides on antimonene phases, i.e., α-Sb and β-Sb, as promising anchoring materials for Li−S batteries. Their findings strongly propose that pristine and defected β-Sb monolayers are admirable anchoring material for Li−S batteries.…”

Borophene Potential for Developing Next-Generation Battery Applications: A Comprehensive Review

“…47 Like other graphene analogues, single crystalline 2D antimonene has been studied for Mg-ion batteries with the charging capacity of 735 mAh/g and diffusion barrier of 0.45 eV. 48 From the groups of monochalcogenides and dichalcogenides, several materials have been studied for electrode applications. For example, study of V 2 C as anode material concluded a charging capacity of 945 mAh/g with a diffusion barrier of 0.045 eV for Li-ion battery systems.…”

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

“…41,53,69,70 For MIBs, the changes in the lattice constant of the SnB monolayer are 4-5 times lower than those of GeP 3 (3.0%) and antimonene (4%), which is also much lower than that of commercial graphite (12% for LIBs). 37,71 The volume expansion values DV of Na 3 SnB, K 2.5 SnB and Mg 1.5 SnB are shown in Fig. S1 (ESI †), which are 2.41, 7.14 and 0.83%, respectively.…”