Properties of heavy rare-gases adlayers on graphene substrates

TL;DR

This study uses molecular dynamics to analyze the structural and thermal properties of heavy rare-gas adlayers on graphene, revealing commensurate solid phases and continuous melting behaviors across different gases.

Contribution

It provides new insights into the phase behavior and melting characteristics of heavy noble-gases adsorbed on graphene surfaces using computational simulations.

Findings

Ne and Kr form commensurate solid adlayers

All gases exhibit continuous melting behavior

Melting temperatures and adlayer distances were quantified

Abstract

We investigated properties of heavy rare-gases, Ne, Ar, Kr, Xe and Rn, adsorbed on graphene substrates using molecular dynamics. We gathered evidences of commensurate solids for Ne and Kr adlayers, one of them is given by a typical behavior of the nearest neighbor distance of the adatoms. The specific heat and the melting temperature were calculated and both indicate continuous melting for all heavy noble-gases studied. We also determined the distance between the adlayer and the substrate.