Fig. 2: Pore limiting diameter (PLD) distribution for pore-10, pore-13, and pore-16 in the presence of CO2/O2 mixture as a function of temperature.

a Illustration of the PLD – the largest van der Waals sphere that can be accommodated inside an oxygen-functionalized pore. C and O atoms are represented in teal and red, respectively. b PLD distribution of the pore-10 at 298 K with open and closed states depicted. c PLD distributions of pore-10 for various temperatures. d, e Illustration of the closed and open pores. Yellow arrows depict the atoms in and out of the plane. f The ratio of the peaks corresponding to the open and closed states for pore-10. g PLD distribution of the pore-10 at 298 K for different gas. PLD distribution of (h) the pore-13 and (i) the pore-16 as a function of temperatures. PLD distributions are based on a minimum of 15000 data points.