Dataset to the article "Elucidating the Role of Mo Vacancies in a Two-Dimensional Molybdenum Carbide MXene on Fischer-Tropsch Catalysis"

This dataset with the DOI 10.5281/zenodo.20491031 is supplement to the article “Elucidating the Role of Mo Vacancies in a Two-Dimensional Molybdenum Carbide MXene on Fischer-Tropsch Catalysis” AcronymsSEM: Scanning Electron MicroscopyTEM: Transmission Electron MicroscopySTEM: Scanning Transmission Electron MicroscopyHAADF: High-Angle Annular Dark-FieldSAED: selected area electron diffraction XRD: X-ray DiffractionPDF: X-ray pair distribution function XANES: X-ray near edge spectroscopyNMR: Nuclear magnetic resonanceXPS: Xray photoelectron spectroscopyEDX: Energy-dispersive X-ray spectroscopyMCR-ALS: Multivariate Curve Resolution - Alternating Least SquaresMS: Mass spectrometryEPR: Electron paramagnetic resonancehcp: hexagonal close packedTPR: temperature programmed TGA: thermogravimetric analysism/z : mass to charge ratioBoth main text and SI data is organized per figure. The NMR data are provided, additionally to .csv, as .csdf (raw data) and .fxml (fitted data) that can be processed with the open source software: https://nmr.cemhti.cnrs-orleans.fr/dmfit/ Specific comments:Figure 2 panel e. The XRD was obtained from the total scattering data, after subtracting the instensity of the SiO2 diluent and converting back from Q (Angstrom-1) to 2theta for λ = 0.24032 Angstrom. Figure 2 panel k. The spectrometer frequency for the x axis conversion to ppm is 705.669 MHz.Figure 2 panel n. The XANES spectrum for the as-prepared Mo4_3CTx is provided in Figure 4 - panel c - in situ XANES dataset.csvFigure 2 panel o -x_R_Ang-4 EXAFS Mo4_3CTx_Rspace stands for the k3-weighted Fourier transform of the EXAFS function in real space in units of Angstrom-4, whereas Figure S14 - k3_x_k_Ang-3 EXAFS Mo4_3CTx_kspace corresponds to the k3-weighted EXAFS function in reciprocal space.Figure 4 panel a. The temperature (in Celsius) at which each pattern was collected is provided in the header of each collumn, i.e. first row is 2theta, Intensity at T=50 C, Intensity at T=100C, etc... Figure 4 panel b - PDF vs time.csv. The experiment time (in hours) at which each PDF was collected is provided in the header of each collumn, i.e. first row is r (Angstrom), G(r) at t=0.4h , G(r) at t=1.2h , etc... A separate folder (Figure 4 - panel b - Temperature vs time.csv) provides the temperature for each timestamp.Figure 4 panel c same as for panel b.Figure 4 panel f. The MS data were normalized with the signal of H2.