Computational study of the NO, SO2, and NH3 adsorptions on fragments of 3N-graphene and Al/3N graphene
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DOI: 10.1007/s00894-018-3734-4
Abstract: The adsorption properties of common gas molecules (NO, NH3, and SO2) on the surface of 3N-graphene and Al/3N graphene fragments are investigated using density functional theory. The adsorption energies have been calculated for the most… read more here.
Keywords: adsorption; graphene fragment; graphene; computational study ... See more keywords