We study numerically the adsorption of a mixture of CO 2 and CH 4 on a graphite substrate covered by graphene nanoribbons (NRs). The NRs are flat and parallel to the graphite surface, at a variable distance ranging from 6Å to 14Å. We show that the NRsgraphite substrate acts as an effective filter for CO 2 . Our study is based on Molecular Dynamics (MD) simulations. Methane is considered a spherical molecule, and carbon dioxide is represented as a linear rigid body. Graphite is modeled as a continuous material, while the NRs are approached atomistically. We observe that when the NRs are placed 6Å above the graphite surface, methane is blocked out, while CO 2 molecules can diffuse and be collected in between the NRs and the graphite surface. Consequently, the selectivity of CO 2 is extremely high. We also observe that the initial rate of adsorption of CO 2 is much higher than CH 4 . Overall we show that the filter can be optimized by controlling the gap between NRs and the NRs-graphite separation.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.