Source data for Figure 6 of the article entitle "In situ evolution of surface and bulk properties of Ni/La-doped CeO2 catalysts for CO2 reduction with hydrogen", J CO2 Util 2024 [Dataset]

[EN] EXAFS data treatment. XAS data have been processed according to standard procedure. Ni K edge spectra have been normalized by calculating and subtracting pre-edge and post-edge backgrounds as low order polynomial smooth curves. The corresponding EXAFS signal has been then extracted, k-squared weighted, and Fourier transformed (FT). Metallic Ni foil and NiO have been considered as the starting point for EXAFS data modelling, providing the theoretical phases and amplitudes of the scattering paths by means of self-consistent ab-initio calculations performed with FEFFlite code . To get more robust determination of the EXAFS structural parameters, we performed a unique fit on the XX spectra, using a customized python script based on IFEFFIT code . For each spectrum of the dataset, we considered as fitting parameters 2 coordination numbers (NNi-Ni, NNi-O) and two correction factors for interatomic distances (RNi-Ni and RNi-O). Due to the limited k range available and the strong inter-correlation between the fitting parameters, we decided to use only two disorder parameters (𝜎2Ni-Ni and 𝜎2Ni-O) kept common for all the spectra in the dataset. Finally, we fit the energy correction to photoelectron reference ΔE0 and the passive electron reduction factors S02, again common to all the spectra. Figure S6. k2-weighted modulus and imaginary part of Fourier transforms of Ni K-edge EXAFS spectra in R space for the catalyst just after reaching 873 K under the CO2+H2 reaction mixture (blue) with their curve fitting results (red).