Microscopic-level understanding of the separation mechanism for two-dimensional (2D) membranes is an active area research due to potential implications this class various technological processes. Helium (He) purification from natural resources particular interest shortfall in its production. In work, we applied ring polymer molecular dynamics (RPMD) method graphdiyne (Gr2) and graphtriyne (Gr3)...

Recently, Heptafluoroisobutyronitrile (C4F7N) has received widespread attention in replacing one of the most greenhouse-insulating gas, SF6. However, gas leakage is incredibly harmful to health operational personnel and security industry production, developing C4F7N detection technology great necessity. In this work, adsorption properties, as well sensing performance on 3d VIII atom-decorated γ...