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.

References in corpus (11)

• Limits on gas impermeability of graphene
• Scalable synthesis and characterization of multilayer $\gamma$-graphyne, new carbon crystals with a small direct bandgap
• Graphdiyne based membranes: exceptional performances for helium separation applications
• The penetration barrier of water through graphynes' pores: first-principles predictions and force field optimization
• Proton and Li-Ion Permeation through Graphene with Eight-Atom-Ring Defects
• Gas permeation through graphdiyne-based nanoporous membranes
• A Novel Nanoporous Graphite Based on Graphynes: First Principles Structure and Carbon Dioxide Preferential Physisorption
• Examination of the Feynman-Hibbs Approach in the Study of Ne${}_N$-Coronene Clusters at Low Temperatures
• Three-Dimensional Wave Packet Approach for the Quantum Transport of Atoms through Nanoporous Membranes
• Isotopic Separation of Helium through Nanoporous Graphene Membranes: A Ring Polymer Molecular Dynamics Study
• Helium Isotopes Quantum Sieving Through Graphtriyne Membranes

Cited by in corpus (1)

• Permeation of hydrogen across graphdiyne: molecular dynamics vs. quantum simulations and role of membrane motion