Theoretical study on the synthesis of methane by CO2 hydrogenation on Ni3Fe(111) surface
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DOI: 10.1016/j.jngse.2021.104114
Abstract: Abstract Density functional theory methods are used to explore the possible mechanism of CO2 methanation on Ni3Fe(111) surface. The optimal adsorption site and adsorption energy of all species are determined. Meanwhile, for the adsorption of… read more here.
Keywords: ni3fe 111; co2 methanation; 111 surface;