Symmetric and irregular aromatic silicon nanoclusters

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