Promising anode material BN/VS2 heterostructure for the Li-ion battery: The first-principles study

Adsorption of nitrogen oxides on modified BN nanosheets: improved gas sensing and functionalization

“…Previous studies have focused attention on two-dimensional (2D) nano-materials due to their eminent applications in sensors, 14 batteries, 15 supercapacitors, 16 emitters, 17 and catalysis. 18 As a 2D crystal material, hexagonal boron nitride (BN) possesses many exceptional features, such as high thermal conductivity, high surface to volume ratio, 15 limited crystal defects, 19 and chemical stability.…”

“…Previous studies have focused attention on two-dimensional (2D) nano-materials due to their eminent applications in sensors, 14 batteries, 15 supercapacitors, 16 emitters, 17 and catalysis. 18 As a 2D crystal material, hexagonal boron nitride (BN) possesses many exceptional features, such as high thermal conductivity, high surface to volume ratio, 15 limited crystal defects, 19 and chemical stability. 20 Similar to graphene, 21 BN consists of a 2D superposition of honeycomb structures, characterized by strong chemical bonds within layers and weak van der Waals forces between layers, 22 suggesting that intrinsic BN is immune to adsorption of gas molecules.…”

A BC2N/blue phosphorene heterostructure as an anode material for high-performance sodium-ion batteries: first principles insights

“…To determine and compare the adsorption characteristics of Na at all possible sites, we compute the binding energy Δ E B which is defined as follows: 48,66 Δ E B = E Hetero+Na − E Hetero − E Na ,where E Hetero+Na is the energy of the sodium binding with BC 2 N/Blu-Pn and E Hetero denotes the energy of the heterostructure system. E Na represents the energy of an isolated Na atom.…”

“…20,50,61 Nonetheless, the poor electrical conductivity of h-BN, C 3 N, C 3 B, and MoS 2 monolayers caused by the large band-gap, the heavy elements in MS 2 , and the weak interaction between Li or Na and graphene or C 3 N sheets render these layers less suitable as electrodes. 61,63,66…”

“…20,50,61 Nonetheless, the poor electrical conductivity of h-BN, C 3 N, C 3 B, and MoS 2 monolayers caused by the large band-gap, the heavy elements in MS 2 , and the weak interaction between Li or Na and graphene or C 3 N sheets render these layers less suitable as electrodes. 61,63,66 In line with the ongoing discovery of new graphene-like structures, [67][68][69][70] the 2-D ternary boron-carbon-nitride (B-C-N) layered system has recently been predicted to hold promising properties. 71 It has already been synthesized by different methods.…”