Supplement 1
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资源简介：
The comparison of results from UFF forcefield and DFT calculations; Evolution of the total energy of the g-MgO monolayer over time; Number of the permeated N2 molecules as a function of simulation time (τ) for C2F6/N2, mixture through the g-MgO membrane with various replicates; The relative energy (Ere) of each molecule adsorption on the g-MgO monolayer as a function of temperature at atmospheric pressure (1 atm).
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AIP Publishing创建时间：
2025-11-22
