Monolayer Adsorption of Noble Gases on Graphene

TL;DR

This study uses GCMC simulations to analyze noble gases adsorbed on graphene, determining phase diagrams and critical temperatures, with results aligning well with theoretical and experimental data.

Contribution

It provides new insights into the phase behavior and critical temperatures of noble gases on graphene using simulation methods.

Findings

Identified incommensurate solid phases for krypton, argon, and xenon.

Found a commensurate solid phase for krypton.

Calculated critical temperatures consistent with existing data.

Abstract

We report our results on the adsorption of noble gases such as argon, krypton and xenon on a graphene sheet, using Grand Canonical Monte Carlo (GCMC) simulations. We calculated the two-dimensional gas-liquid critical temperature for each adsorbate, resulting in fair agreement with theoretical predictions and experimental values of gases on graphite. We determined the different phases of the monolayers and constructed the phase diagrams. We found two-dimensional incommensurate solid phases for krypton, argon and xenon, and a two-dimensional commensurate solid phase for krypton.