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The 32 innermost ethylene molecules form a commensurate phase which we call the 1 × 1 phase because all hollow sites are occupied.
Of particular interest is the commensurate phase that forms on the C60 monomer when all 32 hollow sites are occupied; on planar graphite commensurate phases are difficult to observe.
The simulations reveal that the molecules have a clear preference to occupy all sterically accessible hollow sites, and the 1 × 1 commensurate phase completes the first adsorption layer which, according to a simple model discussed below, would comprise n = 56 molecules for (C60 2.
First, as seen in the current work, ethylene on C60 strongly prefers to form a commensurate phase because the corrugation is enhanced on convex surfaces [25,26] whereas commensurate phases on graphite escaped detection in all but Eden and Fain's electron diffraction work [16,17].
Indeed, it is easily seen that it is impossible to form a commensurate phase on the surface of a fullerene that would resemble a herringbone pattern, given that 20 of the 32 molecules in registered sites have 6 nearest neighbors while 12 have 5.
Several such sites are identified, namely registered sites that lead to a commensurate phase in which all hollow sites are occupied (the 1 × 1 phase), sites that correspond to completion of a monolayer, sites in the grooves between pairs of C60, and dimple sites between triplets of C60 [27 31].
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Do commensurate phases form?
Surprisingly, none addressed the possible existence of commensurate phases nor the orientation of the adsorbed molecules.
Additional particles may be squeezed in resulting in loss of structural order or the formation of higher-order commensurate phases.
Commensurate phases on graphite also failed to appear in molecular dynamics simulations [7,79], even when the strength of the corrugation was deliberately increased [13,15].
In spite of extensive investigations of ethylene adsorbed on graphite, bundles of nanotubes, and crystals of fullerenes, little is known about the existence of commensurate phases; they have escaped detection in almost all previous work.
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