A density functional theory study on the effect of size on the ionization potential of different carbon fullerenes

Theoretical investigations were performed to study the structures and properties of different carbon nanoclusters. The computed properties were compared with those of the fullerene. The study systems included carbon fullerenes C۲۰, C۲۶, C۲۸ and ionization potential of studied fullerenes are reported and compared with those of the fullerenes. It was found that the computed electronic properties are significantly influenced by the shape and size of different carbon nanoclusters.

کلیدواژه ها:

Fullerenes ، Ionization ، Potential