Benzene Adsorption on C₂₄ Fullerene

Mohammad T. Baei^1*, Masoumeh Moghimi², Adel shojaei³

¹Department of Chemistry, Azadshahr Branch, Islamic Azad University, Azadshahr, Golestan, Iran ²Department of Chemistry, Gonbad Kavoos Branch, Islamic Azad University, Gonbad Kavoos, Golestan, Iran ³Department of physics, Behbahan Branch, Islamic Azad University, Behbahan, Iran  

ABSTRACT: Using density functional theory calculations, we investigated the benzene adsorption on the C₂₄ fullerene. The Calculated adsorption energy of benzene on the C₂₄ fullerene was about -2.93 and -3.20 kJ/mol. The results suggested that the C₂₄ fullerene has low sensitivity to the presence of benzene and the electronic properties of the fullerene after benzene adsorption remain almost unchanged

KEYWORDS: C₂₄ fullerene; Benzene; Adsorption; DFT study  

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