The effects of substrate and stacking in bilayer borophene.

ABSTRACT: Bilayer borophene has recently attracted much interest due to its outstanding mechanical and electronic properties. The interlayer interactions of these bilayers are reported differently in theoretical and experimental studies. Herein, we design and investigate bilayer [Formula: see text] borophene, by first-principles calculations. Our results show that the interlayer distance of the relaxed AA-stacked bilayer is about 2.5 Å, suggesting a van der Waals interlayer interaction. However, this is not supported by previous experiments, therefore by constraining the interlayer distance, we propose a preferred model which is close to experimental records. This preferred model has one covalent interlayer bond in every unit cell (single-pillar). Further, we argue that the preferred model is nothin

SUBMITTER: Mozvashi SM 

PROVIDER: S-EPMC9372144 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature