DFT studies of adsorption properties and bond strengths of H2S, HCN and NH3 on Fe(1 0 0)
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DOI: 10.1016/j.apsusc.2019.144232
Abstract: Abstract Based on the first principle method of density functional theory (DFT), the adsorption properties, bond strengths of three molecules (H2S, HCN and NH3) in coke oven gas on the Fe-based surface were analyzed using… read more here.
Keywords: adsorption; adsorption properties; h2s hcn; hcn nh3 ... See more keywords