Adsorption and dissociation mechanism of hydrogen sulfide on layered FeS surfaces: A dispersion-corrected DFT study
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DOI: 10.1016/j.apsusc.2020.147905
Abstract: Abstract The surface properties of various layered FeS surfaces were calculated using dispersion-corrected density functional theory (DFT-D2). The calculations indicated that FeS(0 0 1) was the most surface. The most stable adsorption sites of H2S and its… read more here.
Keywords: dispersion corrected; fes surfaces; dissociation; layered fes ... See more keywords