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Abstract
This study proposes the full structural characterization of the most common MXene composition, Ti3C2Tx, which presents outstanding stability as anode for sodium ion batteries (100% of capacity retention after 530 cycles with charge efficiency > 99.7%). The structural investigation is carried out with a multi-technique approach that allows to explore both the short- and long- range structure, combining the analysis of X ray absorption spectroscopy, X-ray and neutron diffraction data, and TEM images. The diffraction data have been analyzed with the approach embodied in the Faults software, that accounts for the evaluation of extended defects, thus allowing to fit, for the first time, the MXene diffraction patterns. The analysis shows that the presence of static disorder on the termination sites induces a variability in the interlayer distance which affects the electrochemical properties.
Supplementary materials
Title
Supplemtary Information
Description
SI includes a brief discussion on the MAX and MXT structure, synthesis, and previous literature results on the structural characterization. Information on the experimental methods and measurements are described. Details and results from the XAS analysis, Rietveld refinement and models, Faults minimization and simulations, building blocks for the MXene structure and additional TEM images are also given.
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