Nanocapillarity in fullerene tubules.

摘要: Fullerene tubules are shown to be highly polarizable ``molecular straws'' capable of ingesting dipolar molecules. Local-density-functional calculations on HF molecules within a finite-length tubule, size 144 atoms, demonstrate this effect. The energy incarceration is several times the thermal ambient at room temperature. These calculations, now feasible desktop workstations, open way study nanoscale capillarity and to, perhaps, precise control over shielding specific ``guest'' compounds from external electric magnetic fields.