We have used computer simulations to investigate the potential
of triptycene-based rotors mounted on the Si(100)-2 × 1 surface. Two
concepts are explored for attaching the triptycene to the Si surface: –COOH and –OH
groups. We find the –COOH
produces an axle with too many degrees of freedom, creating too flexible a coupling
to the substrate. By contrast, the calculations suggest that the –OH
coupling should provide a useful stiff axle.
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