Iron-Nickel-Sulfide Characterisation and Catalytic Testing Data

Catalytic data describing the production of formate from the hydrogenation of CO2 using iron-sulfide, iron-nickel-sulphide and nickel-sulfide catalysts prepared with different heat treatments under a range of reaction conditions. Catalyst characterisation of these materials include XRD analysis, giving an understanding of the violarite phase and crystallinity. XPS analysis gains understanding of the iron, nickel and sulphur species, and how sulphide and oxide species change under thermal oxidation. XAS analysis employed is vital to gain more of an understanding of the short range order of Fe-S/Ni-S and Fe-O/Ni-O species within the samples. Computational details are used to rationalise different catalytic activity trends, thermal and kinetic profiles for the reaction of CO2 and H2O. The relationship between Ni-Fe synergism and surface oxidation is investigated.