Simultaneous Adsorption of Water and Carbon Dioxide on Graphene-Titanium-Silicon Carbide System

The adsorption of water and carbon dioxide has been studied separately in several works in recent times. These processes are important for the transcendence that would imply perform them in a simple and stable way. Controlling these processes we could fix carbon from the atmosphere and possibly obtain hydrocarbons. In a previous work [1], with colleagues, we performed a numerical calculation of the adsorption of water on a sheet of graphene. In this work I present a theoretical numerical calculation of the simultaneous adsorption of water and carbon dioxide on a titanium-graphene system that relies on silicon carbide as substrate support. In this calculation we consider the interaction of water and carbon dioxide with the graphene-titanium system and the substrate, but also the interaction between water and carbon dioxide. In development of this calculation I used density functional theory, atomic pseudo-potentials and molecular dynamics. I compare the results obtained with the reports of previuos works. \\[4pt] [1] Carbon, 47, 2 (2009), pp531-533