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Computational Study on the Electronic Properties of Graphene/Calcium Oxide Nanocomposite
References:
35
Abstract
Semiempirical PM6 quantum mechanical method was used to investigate the changes in the electronic and physical parameters of graphene before and after interaction with calcium oxide (CaO).Calculations were conducted the optimized structures with graphene interacting with two CaO molecules forming G/CaO nanocomposite once through the O atom then through the Ca atom, in the form of adsorb and comple...
Keywords
2020
Article
Open Access
2-Y Citation Average
0.712
Language
Country
Computational Study on the Electronic Properties of Graphene/Calcium Oxide Nanocomposite
References:
35
Abstract
Semiempirical PM6 quantum mechanical method was used to investigate the changes in the electronic and physical parameters of graphene before and after interaction with calcium oxide (CaO).Calculations were conducted the optimized structures with graphene interacting with two CaO molecules forming G/CaO nanocomposite once through the O atom then through the Ca atom, in the form of adsorb and comple...
Keywords
2020
Article
Open Access
2-Y Citation Average
0.712
Language
Country