Structural and electronic properties of H2, CO, CH4, NO, and NH3 adsorbed onto Al12Si12 nanocages using density functional theory
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DOI: 10.3389/fchem.2023.1143951
Abstract: In this study, the adsorption of gases (CH4, CO, H2, NH3, and NO) onto Al12Si12 nanocages was theoretically investigated using density functional theory. For each type of gas molecule, two different adsorption sites above the… read more here.
Keywords: adsorption; gas; density; ch4 nh3 ... See more keywords