تصفح College of Arts & Sciences حسب الموضوع "H2S adsorption"
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DFT investigation of H2S adsorption on graphenenanosheets and nanoribbons: Comparative study
( Elsevier , 2020 , Article)Graphenenanosheet (GNS), armchair graphenenanoribbon (AGNR), and zigzag graphenenanoribbon (ZGNR) systems were investigated by first principle calculations using the density functional theory (DFT). The DFT calculations ...