Sep 20, 2019 · Thereby, producing semimetallic/semiconducting properties by applying an appropriate external electric field and dilute charged impurities paves the way for the realization of β 12-borophene-based nano-optoelectronic devices.

Jan 1, 2024 · The SACs catalyst formed on β 12 borophene supported 3d-TM showed good stability and conductivity. The overpotential of Co@β 12 to produce CO is only 0.001 V. Cu@β 12 , Zn@β 12 and Ti@β 12 showed excellent catalytic activity for the reduction of CO 2 to HCOOH, and the overpotential of HCOOH production was as low as 0.02 V.

Jan 15, 2025 · We present wave-like borophene anchored with Cu atoms, studied via density functional theory, revealing synergistic effects and surface restructuring mechanisms in C 2 reactions. Stressing borophene reduces ethanol reduction overpotential (from 0.75 V to 0.60 V) and enhances interfacial interactions.

May 14, 2024 · This study delves into the potential of a novel β 12-borophene/graphene (β 12-B/G) van der Waals (vdW) heterostructure using Quantum Espresso software based on vdW-corrected density functional theory. Our investigation includes exploring thermal and dynamical stability, adsorption energy, open circuit voltage, specific capacity, and diffusion ...

Nov 15, 2024 · As the lightest 2D material, monolayer borophene exhibits a specific charge capacity of 1860 mA h g −1 for Li-ion batteries, which is four times higher than that of graphite and is one of the highest specific charge capacities ever reported for 2D anode materials. Additionally, it showed high mechanical strength and a low diffusion barrier.

Sep 22, 2021 · Based on the density functional theory model, the excellent electrochemical performances of the borophene-based Li–S batteries should originate from the enormous enhancement of β 12-borophene sheets for both the surface migration of the Li-ions and the adsorption energy of Li 2 S n clusters.

Monolayer borophene has a high charge capacity, mechanical strength, and low diffusion barrier, but it's not stable enough for practical use. They studied two types of bilayer borophene (AA and AB-stacked) and found that only AB-stacked β12–BBP is …

AB–stacked bilayer β12–borophene as a promising anode material for alkali metal-ion batteries. Monolayer borophene has a high charge capacity, mechanical strength, and low diffusion barrier, but it's not stable enough for practical use •

3 days ago · As a result, borophene and its derivatives, metal-doped borophene topologies, and TM-B β12 monolayers have shown promise as electrocatalytic CO 2 reduction process catalysts. These innovative investigations represent a significant step forward in the search for long-term solutions to environmental problems including CO 2 conversion. The ...

Jan 31, 2023 · We present a tight-binding (TB) model for describing the electronic properties of the free-standing χ3 and β12 borophenes via the Slater–Koster approach. This model is constructed through s, px, py, and pz orbitals for each boron atom.