بررسي محاسباتي جذب مونومر دنداني بيس-جي ام اي بر روي گرافن تك لايه

Computational investigation about the adsorption of dental monomer Bis-GMA onto graphene monolayer

Density Functional Theory (DFT) based calculations have been performed to understand the adsorption properties of Bis-GMA onto the graphene monolayer. Results demonstrated that the Bis-GMA molecule has been physically adsorbed onto the surface of graphene monolayer with the adsorption energy of about -0.74 eV. Moreover, exploring the electronic properties of the system upon the adsorption process have revealed that the graphene monolayer has preserved its intrinsic electronic properties as the Bis-GMA molecule bound to the surface. The results of the present work seem to be very useful in providing deep insight about interface interactions between biologically relevant molecules and carbonic nanostructures and are hoped to aid future experimental investigations in this topic.

Density Functional Theory (DFT) based calculations have been performed to understand the adsorption properties of Bis-GMA onto the graphene monolayer. Results demonstrated that the Bis-GMA molecule has been physically adsorbed onto the surface of graphene monolayer with the adsorption energy of about -0.74 eV. Moreover, exploring the electronic properties of the system upon the adsorption process have revealed that the graphene monolayer has preserved its intrinsic electronic properties as the Bis-GMA molecule bound to the surface. The results of the present work seem to be very useful in providing deep insight about interface interactions between biologically relevant molecules and carbonic nanostructures and are hoped to aid future experimental investigations in this topic