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首页> 外文期刊>Physical review >Ordering Transition Of Gases Adsorbed On A C_(60) Surface: Monte Carlo Simulationsand Lattice-gas Models
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Ordering Transition Of Gases Adsorbed On A C_(60) Surface: Monte Carlo Simulationsand Lattice-gas Models

机译:吸附在C_(60)表面上的气体的有序过渡:蒙特卡洛模拟和晶格-气体模型

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摘要

A monolayer of C_(60) molecules on a flat surface provides an unusual substrate for the adsorption of simple gases. Both the lattice constant and the corrugation are larger than is typical of most traditional surfaces. These differences give rise to different phenomena, such as unusual commensurate phases. This paper discusses the ordering transition of various gases corresponding to the filling of the honeycomb array of threefold coordinated hollow sites located between C_(60) molecules. That transition is investigated with Monte Carlo simulations and analytical (lattice-gas) models. The value of the resulting transition temperature (T_c) depends on the form assumed for the long-range interaction and the role of many-body effects, i.e., screening, due to gas molecules' close proximity to the C_(60) layer. The effect of three-body interactions is found to be large in all cases considered.
机译:平坦表面上的C_(60)分子单层为吸附简单气体提供了不同寻常的基质。晶格常数和波纹都比大多数传统表面的典型值大。这些差异引起不同的现象,例如不寻常的相称阶段。本文讨论了与填充C_(60)分子之间的三重配位空心位点的蜂窝状阵列的填充对应的各种气体的有序过渡。使用蒙特卡洛模拟和分析(晶格气体)模型研究了这种转变。所产生的转变温度(T_c)的值取决于为长距离相互作用所假定的形式以及由于气体分子与C_(60)层非常接近而导致的多体效应(即屏蔽)的作用。在所有考虑的情况下,发现三体相互作用的影响很大。

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