Adsorption and phase transitions in adsorbed systems: structural properties of CCl4 layers adsorbed on a graphite surface |
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Authors: | Marcin Marzec Bogdan Kuchta Lucyna Firlej |
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Affiliation: | 1.Laboratoire des Matériaux Divisés, Revêtement, Electrocéramiques (MADIREL),Université de Provence, Centre de Saint-Jér?me,Marseille,France;2.Laboratoire des Collo?des, Verres et Nanomatériaux (LCVN),Université Montpellier II,Montpellier,France |
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Abstract: | We present the results of simulations of a CCl4 monolayer adsorbed on a graphite surface. The CCl4 molecule was represented either by a shapeless superatom or by its atomic sites. The simulations were carried out over a large range of temperatures, from 20 K up to 340 K. We address the following problems: (1) the influence of molecular shape on the structure and stability of phases (particularly at low temperatures), and (2) the influence of the graphite corrugation on layer stability and mechanism of phase transitions. In particular, we discuss the possibility and conditions of the appearance of hexatic phase in the system. Figure Temperature dependence of Φ6 order parameter for CCl4 monolayer adsorbed onsmooth and corrugated surfaces, in the spherical Lennard Jones (LJ) approximation.For comparison, the order parameter calculated for MacDonald’s five-site potential is also presented |
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Keywords: | Graphite surface Adsorption CCl4 Monte Carlo |
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