Study of Adsorption of H2, CO and NO Gas Molecules on Molybdenum Sulfide and Tungsten Sulfide Monolayers from First-Principles Calculations
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DOI: 10.1016/j.susc.2021.121910
Abstract: Abstract Using density functional theory based electronic structure calculations, we study the adsorption of H 2 , CO and NO gases on pristine monolayers of two dimensional (2D) monochalcogenides, buckled WS and MoS systems. Preferred… read more here.
Keywords: study adsorption; calculations study; gas molecules; adsorption ... See more keywords