1 Physical Chemistry, Department of Chemistry, Technical University of Denmark2 Department of Chemistry, Technical University of Denmark3 University of Missouri4 University of Missouri
The melting of butane and hexane monolayers adsorbed on a graphite basal-plane surface has been studied by molecular-dynamics simulations and experimentally by neutron diffraction. The simulation results are qualitatively consistent with the observed diffraction patterns and suggest a general mechanism for melting in monolayers of flexible rod-shaped molecules. Melting requires the formation of vacancies in the monolayer by molecular motion perpendicular to the surface. This ‘‘footprint reduction’’ mechanism implies that strictly two-dimensional theories of melting are inapplicable to these systems.
Physical Review Letters, 1992, Vol 69, Issue 4, p. 652-655