Investigation of Adsorption Enthalpy of Prolin on the Surface of Graphene with and without Si: A DFT Study

The project is comparing three types of calculation derived graphene. To evaluate the effect of silicon element to Thermochemistry parameters of absorption of prolin in these derivatives. These derivatives of graphene carbon prolin connection made, the difference is only the position of prolin (named GPC1 , GPC2 , GPC3). But in other Derivations first put silicon instead of carbon position, then is added to the silicon(named GPSi1 , GPSi2 , GPSi3).

کلیدواژه ها:

Prolin ، Graphene ، Silicon ، adsorption enthalpy