Benzene Adsorption on C24Fullerene

摘要

Using density functional theory calculations, we investigated the benzene adsorption on the C_(24) fullerene. The Calculated adsorption energy of benzene on the C_(24) fullerene was about -2.93 and -3.20 kj/mol. The results suggested that the C_(24) fullerene has low sensitivity to the presence of benzene and the electronic properties of the fullerene after benzene adsorption remain almost unchanged.