Effect of adsorption and substitutional B doping at different concentrations on the electronic and magnetic properties of a BeO monolayer: a first-principles study.

The 2D form of the BeO sheet has been successfully prepared (Hui Zhang ., , 2021, , 2497). Motivated by these exciting experimental results on the 2D layered BeO structure, we studied the effect of the adsorption of B atoms on BeO (B@BeO) and substitutional B atoms (B-BeO) at the Be site at different B concentrations.

Point defects in two-dimensional BeO monolayer: a first-principles study on electronic and magnetic properties.

Very recently, the 2D form of BeO monolayer has been successfully fabricated [Hui Zhang , , 2021, , 2497]. Motivated by these exciting experimental results on 2D layered BeO structures, the effect of atom adsorption, substitutional doping and vacancy defects on the electronic and magnetic properties of a hexagonal BeO monolayer have been systematically investigated employing density functional theory-based first-principles calculations. We found out that BeO monolayer is a semiconductor with an indirect band gap of 5.

Van der Waals heterostructure of graphene and germanane: tuning the ohmic contact by electrostatic gating and mechanical strain.

Correction for 'Van der Waals heterostructure of graphene and germanane: tuning the ohmic contact by electrostatic gating and mechanical strain' by A. Bafekry , , 2021, DOI: 10.1039/D1CP03632G.