Abstract

Based on first-principles calculations, we predict the existence of two classes of aromatic hydrogenated silicon nanoclusters. Despite their completely different structure, they both exhibit quite comparable physical and chemical properties due to the common presence of overcoordinated silicon atoms inducing extensive electron delocalization. Due to a complex interplay between strain relaxation and aromatic stabilization, apparently ill-defined nanoclusters might sometimes turn out to be more stable than their symmetric counterparts. Both symmetric and irregular aromatic silicon nanoclusters are extremely stable at ambient conditions and might readily find applications in future nano-technological devices.

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