Abstract:
The discovery of fullerene and carbon nanotube (CNT) has created an enormous impact on next generation nano devices. There exist two fascinating hybrid structures built by C60 and CNT: peapod and Nan0Buds. First, we apply both density functional theory and the recently developed Reactive Force Field (ReaxFF) to study the reaction dynamics of C60 dimerization and the more challenging complex tubular fullerene formation process in the peapod structures. As a brief interlude, a new generation of peapod nano-oscillators will be introduced with an operating frequency in the tens-of-gigahertz range. Secondly, we are currently investigating effects of chirality, curvature and topology on another intriguing hybrid nanostructure, NanoBuds, where the geometry induced electronic frustration will be highlighted. Finally, we report the opto-electronic properties of ultra-narrow semiconducting grapheme nanoribbons. The width of the ribbons as well as the nature of the edges, including geometry and passivation are considered as control parameters for their opto-electronic properties.
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