Quantum mechanical comparison between two isomers of C24 fullerene nanocage

The C24 is one of the small fullerenes which has many structures. Between these structures twoisomers are more common. One of the isomers has six 4-member rings and eight 6-member rings (6-4) andanother has two 6-member rings and twelve 5-member rings (6-5). In this article the structure and stability ofthese isomers were studied using Gaussian 09 package. The result of energy calculates shown that C24 (6-5)isomer has lower energy that means more stability. Also calculation of Free energy and Enthalpy provedsame results. In the calculation of electrical properties, the 6-5 isomer has lower Eg that cause moreconductivity.

کلیدواژه ها:

Fullerene ، stability ، C24