Fig. 2
From: Air separation with graphene mediated by nanowindow-rim concerted motion
Enthalpy contributions to permeation through nanowindows. a, b Permeation energy barriers of O2 (90 K), N2 (77 K), and Ar (87 K) through NW-3.30 a and NW-2.97 b. The z-axis is perpendicular to the graphene layer, located at z = 0. Total energy (black line) sums the contributions from Lennard–Jones (red), electrostatic (blue), and bonded interactions (turquoise). Bonded interaction energy considers bonds, angles, dihedrals, and impropers. Square, diamond, and double dagger symbols represent adsorption on the basal plane, adsorption on top of the nanowindow, and a high-energy state across the graphene plane, respectively
