Computational Studie s of Fullerene Nan o Structures C۲۰( Ih ), C۲۴ (D۶d) , C۲۶(D۳h) , as H۲ Adsorbent

With a growing world pop ulation, an increasing standard of living in many developing countries, a limited supply of fossil fuels, and its adv erse effect on the environment, the need for cl ean and sustainable en ergy has never been greater. Hydrogen, the simplest and most abundant element in the universe, has the potential to meet th is energy n eed if numerous hurdle s in its efficient and safe production, storage, and use in fuel cell vehicles can be overc ome. In rec ent years fullerene stru ctures have brought up steadily in creasing atte ntion both in academic and industri al researche s. We study the simulations of H۲ adsorption o n the fullere ne surfaces, to determine the adsorption ability of C۲۰( Ih ), C۲۴ (D۶d) , C۲۶(D۳h) at ۲۹۸K. We h ave examined what type of species on carbon surfaces ma y be able to adsorption of H۲ molecule by frequency and A IM analysis

کلیدواژه ها:

C۲۰( Ih ) ، C۲۴ (D۶d) ، C۲۶(D۳h) Full erenes ، Thermodynamic analysis ، A IM analysis