I am doing analysis on CsPbBr3 nanoparticles (deposited as a thin film) using Match!.
From the tutorials the software seems to be fairly simple to use, however I am really struggling with the fits, and I do not know if my analysis is correct as I am not sure how the calculations (Scherrer formula) is implemented.
When doing peak matches the reference peaks always have a bunch of other peaks not seen in my sample, and my Rwp value is always very high. Attacehed is a screenshot of the fit for one of the samples.
(This data is for training I am doing on XRD as part of my course, and I do not have a lot of faith in the standard of the samples.)
Peak broadening in XRD is typically caused by:
- Small crystallite size (nanoparticles)
- Microstrain
- Instrumental broadening
For nanoparticles, the key effect is size broadening — smaller particles cause broader peaks.
Hello Jo-Marie Rossouw
If you synthesize perovskites as CsPbBr3, you must keep in mind that they can suffer phase transition. Look at the images I attached. There is a cubic most knows structure for this perovskite, and its XRD pattern. It can shift to an orthorhombic structure, and change its pattern. Your sample may have more than one phase, that's why MATCH didn't make a good fit. I offer help to teach you how to use other softwares, like QualX, that can make phase identification.
Fell free to reply if you need help,
Best regards,
Dr. Ricardo Tadeu
You did not mention what your thin film was deposited on, but my bet is the relatively sharp peaks are all from the substrate. Your nanoparticle peaks will be incredibly broad, and these are mostly incredibly sharp. Is your substrate a single crystal?
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