Dataset for "Multilayered Molybdenum Carbonitride MXene: Reductive Defunctionalization, Thermal Stability, and Catalysis of Ammonia Synthesis and Decomposition"
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General Remarks: This dataset with the DOI 10.1016/j.mtcata.2024.100085 is supplement to the article “Multilayered Molybdenum Carbonitride MXene: Reductive Defunctionalization, Thermal Stability, and Catalysis of Ammonia Synthesis and Decomposition” (https://doi.org/10.1016/j.mtcata.2024.100085). All data files are named after the figure/figure panel used for their depiction. A comment is added after the panel letter to indicate the technique being depicted. For some of the figure panels with multiple traces, a dataset has been uploaded for each trace. For example Figure 6 panel a contains the light off curves of 6 samples and therefore six traces are depicted. We therefore uploaded Figure 6 - panel a - light off curve bMo2N-500.csv , Figure 6 - panel a - light off curve Mo2CNTx.csv etc. For some of the figures, the data files corresponding to different traces of the same figure were combined in a compressed folder (.zip) The data files for the supplementary figures are named as Figure SX, followed by a short comment on what they depict. Comments regarding specific files: For Figure 6 the metadata Ci=40% (inlet concentration of NH3 in Ar) Ain is the GC area for 40% NH3 in Ar and moles of NH3 and Ar in mmol per min in the inlet are provided and used for all calculations of concentrations. For all conditions of temperature and flowrate multiple GC points were collected and the column "Average of 3 injections" corresponds to the average conversion obtained in the last three injections at a certain set of conditions. For Figure 3 panels a, b and c we uploaded:1) a csv file with the temperature T (Celsius) for each timestamp t (h) at which a measurement was taken b) a csv with the XRD pattern/PDF data or XANES for each timestamp at which a measurement was taken. For Figure 3 paned e the MS signals were normalized with the m/z 2 signal of H2 for the TPR experiment. For Figure S23 match the timestamp to the temperature using "Figure 3 - panel c - Temperature for XANES data as a function of time during TPR.csv" For Figure S27 the data are included in "Figure 3 - panel d - EXAFS - Mo2CNTx - 500 Mo2CNTx - 575 Mo2CNTx - 800.csv" For Figure S30 the data is included in "Figure 3 - panel e - MS signal as a function of time during TPR.csv" For Figure S33, the column named “Scan” corresponds to time expressed in seconds. For Figure S34, each file contains the signal as a function of time for the pulses and for each pulse the peak properties after integrating the area under the pulse. For the CO chemisorption measurements the loop volume was 0.4943 cc at 110 Celsius and 712 mmHg. For Figure S42, the first column is the angle (2theta), the second column the Instensity (a.u.) and the thrid column the normalized intensity (divided by the maximum value of intensity).



