Fullerene/Tubule Based Hollow Carbon Nano-Gears

Abstract

ABSTRACTWe report the design of several symmetric star-shaped closed carbon cages using ball and stick models. Despite the presence of seven- and eight-membered rings, these hollow carbon sprockets—containing less than 500 carbon atoms—are predicted to be more energetically stable than C60. Also, we show that these sprockets can be connected to capped fullerene tubules to form a nanostructure similar to a mechanical gear and shaft. In addition, using molecular dynamics and a reactive hydrocarbon potential, we show that these gears can be turned against each other at high angular velocities without large deformations. These nanogears illustrate some of the possible complex small structures that can be formed by inserting 5-, 7-, and 8-membered rings in an otherwise graphitic network. These nanogears also show surprisingly robust mechanical properties.