Molecular transport through graphene-based membranes has attracted plenty of interest recently. From the original computational design to the recent experimental demonstrations, tremendous progress has been made to show the graphene-based membranes' gas-separation power. In this talk, we will address some fundamental issues in dictating the membrane's permeance and selectivity. We show that the match between the molecular size and the pore dimension is the key factor in dictating the selectivity. Whenever feasible, we will compare our simulation with the experimental measurements to understand the microscopic events underlying the experiments.

Insights into molecular transport through graphene and graphene-oxide membranes from simulation

248th National Meeting (2014)

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