Modeling of magnesium-decorated graphene quantum dot nanostructure for trapping AsH3, PH3 and NH3 gases
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DOI: 10.1039/d3ra01279d
Abstract: A magnesium-decorated graphene quantum dot (C24H12-Mg) surface has been examined theoretically using density functional theory (DFT) computations at the ωB97XD/6-311++G(2p,2d) level of theory to determine its sensing capability toward XH3 gases, where X = As,… read more here.
Keywords: decorated graphene; graphene quantum; magnesium decorated; c24h12 ... See more keywords