We report our results of simulations of the adsorption of noble gases (Kr, Ar, Xe) on graphene. For Kr, we consider two configurations: supported and free-standing graphene , where atoms are adsorbed only on one or two sides of the graphene. For Ar and Xe, we studied only the case of supported graphene. For the single-side adsorption, we calculated the two-dimensional gas-liquid critical temperature for each adsorbate. 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. For double side adsorption of Kr, we do not see evidence of an ordering transition driven by the interlayer forces.

我们报告了石墨烯上稀有气体（Kr，Ar，Xe）的吸附模拟结果。对于Kr，我们考虑两种构型：支撑石墨烯和自支撑石墨烯，其中原子仅吸附在石墨烯的一侧或两侧。对于Ar和Xe，我们仅研究了负载石墨烯的情况。对于单面吸附，我们计算了每种被吸附物的二维气液临界温度。我们确定了单层的不同相并构建了相图。我们发现k，氩和氙的二维不相称固相，以及k的二维不相称固相。对于Kr的双面吸附，我们没有看到由层间力驱动的有序过渡的证据。