Hello i tried to calculate the size of cristallites with ORIGIN drawing a line passing by the middle of each peak . the problem is that there are some peaks where the line does not pass by them how can i fix this .If there is another methods to calculate the size of cristallites ?
you have to do peak profile fitting, and then determine/note the middle of the peak. Try to do Reitveld refinement of your XRD pattern, once you achieve an acceptable value of goodness of fit, and the pattern fits to the structure, then lood at the d-spacings, and calculate your 2theta values for your crystallalite/grain size distribution/analysis.
the method you choose, the determination of the full width at half maximum can function if the instrumental contribution to the peak broadening can be neglected (in case of nanomaterials) otherwise you should also substract this contribution. However the peak broadening is obtained by a fitting of peaks because you also need the peak position, to be used together with the broadening in the Scherrer equation. Otherwise the structural refinement, for example with Topas software, provide you the crystallite sizes values
fit the peak using Gaussian function. then determination of the full width at half maximum can function if the instrumental contribution to the peak broadening can be neglected (for nanomaterials). Use the Scherrer equation to calculate crystalline size.
Toumi Toumi
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