Fig. 3: CO2 and O2 translocation across dynamic O-functionalized pores.
Translocation rates (j) of CO2 and O2 as a function of temperature through porous graphene hosting dynamic (a) pore-10, (b) pore-13, and (c) pore-16. Potential of mean force (PMF) profiles for the translocation of CO2 molecules from (d) pore-10, (e) pore-13, (f) pore-16, and O2 molecules from (g) pore-16. The porous graphene is located at z = 0, and the regions z > 0 and z < 0 depict the feed and permeate sides, respectively. The error bars represent the standard deviation in mean. Free energy barriers (∆AT) for the translocation of (h) CO2 through pore-10, pore-13, and pore-16 and (i) CO2 and O2 through pore-16. Translocation rates of CO2 as a function of temperature through porous graphene hosting dynamic and rigid ( j) pore-10, (k) pore-13, and (l) pore-16. The error bars represent the standard deviation in mean.
