VS₂/Graphene Heterostructures as Promising Anode Material for Li-Ion Batteries

Abstract

Two-layer freestanding heterostructure consisting of VS2 monolayer and graphene was investigated by means of density functional theory computations as a promising anode material for lithium-ion batteries (LIB). We have investigated lithium atoms’ sorption and diffusion on the surface and in the interface layer of VS2/graphene heterostructure with both H and T configurations of VS2 monolayer. The theoretically predicted capacity of VS2/graphene heterostructures is high (569 mAh/g), and the diffusion barriers are considerably lower for the heterostructures than for bulk VS2, so that they are comparable to barriers in graphitic LIB anodes (∼0.2 eV). Our results suggest that VS2/graphene heterostructures can be used as a promising anode material for lithium-ion batteries with high power density and fast charge/discharge rates.

The application of nanostructured transition metal sulfides as anodes for lithium ion batteries

“…Even after 10 0 0 cycles at 2 or 5 A g −1 , it still delivered a capacity of 576 or 401 mAh g −1 . Apart from experiment data, recent first-principles calculations based on density functional theory also revealed that the 2D VS 2 monolayers could be the prospect anode materials for LIB, showing its promising application [148,149] .…”

Proximity-induced ferromagnetism and chemical reactivity in few-layer VSe2 heterostructures

“…2D Transition Metal Dichalcogenides (2D-TMDs) have been recently attracting increasing attention due to their unique physical properties when passing from three-dimensional crystals to single or few layers [1][2][3][4][5], with applications ranging in electrocatalysis [6,7], optoelectronics [4], batteries [8,9], piezoelectricity [10] and memory devices [11].…”

Porous bowl-shaped VS2 nanosheets/graphene composite for high-rate lithium-ion storage

“…It may be explained with the stacked structure of monodispersed porous H-VS 2 nanosheets with rGO nanosheets that offered the merits of large specific surface area and shortened lithium-ion diffusion path. The presence of graphene could buffer the volume variations, as well as prevent the self-aggregation of sulfides to ensure sufficient surface area and ion exchange channels for electrochemical reactions, thus achieving excellent cycle life [55,56] .…”