Effect of Temperature on thermodynamic parameters and chemical properties at adsorption process nitrite on the Graphene Nano surface, density functional theory method

The project is comparing four types of calculation derived graphene. That two of these derivatives of graphene carbon nitrite connection created the difference is only in the state of Para and meta carbons connectivity state. But other derivatives first silicon-carbon alternatives in the meta and para position, then nitrite is added to the silicon. To evaluate the effect of silicon element to absorb energy and other thermodynamic parameters in the derivatives compared with them

Theoretical study of the effect of the element silicon, the adsorption enthalpy nitrite, on the surface of graphene nanostructure

The project is comparing four types of calculation derived graphene. To evaluate the effect of silicon element to Thermochemistry parameters of absorption of nitrite in these derivatives. Two of these derivatives of graphene carbon nitrite connection made, the difference is only in the state of Para and meta carbons connectivity state (named P & M). But in other Derivations first put silicon instead carbon in the meta and para position(named GER Si2 para & GER Si2 metha), then nitrite is added to the silicon(named P* & M*)