Enhanced quantum transport in bilayer two-dimensional materials

Abstract

Two-dimensional (2D) materials have been proposed, among many other applications, as a efficient tool for the separation of atomic and molecular species and their corresponding isotopes, given the confinement provided by their subnanometric dimensions. In this work we present three dimensional quantum wave packet calculations revealing an enhancement in the quantum transport in bilayer over monolayer graphdiyne membranes, one of the most popular 2D materials which is commonly employed for this purpose. Besides, resonances emerge superimposed over the typical monolayer profile for transmission probabilities, a feature that is general to other bilayer nanoporous 2D heterostructures and that shows a strong dependence on the interlayer separation.

Figures (3)

• Figure 1: Probabilities of He transmission, $P_{trans}(E)$, through bilayer graphdiyne, $AA$ stacking when the distance between layers is, (a) 2.5 Å (b) 3.5 5 Å. Insets show the system behavior at very low energies. The monolayer graphdiyne case of Ref.1st-td3d-quan-iso is included as continuous black ($^3He$) and grey ($^4He$) lines as a guide to the eyes in the upper pannel (a).
• Figure 2: Probabilities of He transmission through bilayer graphdiyne, $AA$ stacking for interlayer separation of 3.65 AA. Inset showing the system behavior at low energies.
• Figure 3: Probabilities of $^3$He transmission through bilayer graphdiyne for $AB$ stacking. Label $\theta$ indicates the central angle of incidence in the plane $XZ$, for an increasing initial total energy.