I have synthesized Al and Ag-doped ZnO. How can I get a quantitative fraction of the Al, Ag, Zn, and O? For example the final product is AgxAlyZnOz. Then how to find values of x, y, and z using XRD data? Is it possible to get using GSAS-II (XRD Rietveld Analysis)?
XRD is a very good technique to determine the crystal structure of you material, but it's not the best one for determining elemental compositions. I would suggest you to analyze your material using x-ray fluorescence (XRF) or EDS/WDS using an electron microscope.
Hi dear Firoz Khan
XRD results are classified into two groups:
1) Qualitative (Phase type)
2) Quantitative (phase fraction, Lattice parameters, Strain, Crystallite size, etc)
First of all, you must determine your phase type ( Qualitative analysis), then you can calculate quantitative analysis.
To find x,y,z you must find your material phases. The X'pert highscore plus is one of the best software, that you can find your phases easily, especially when you have information about your material elements.
After finding your material phases, you can calculate phase fraction, strain, etc (Quantitative analysis by Rietveld method).
If you want, I can find your phase-type by X'pert high score. Just send me your XRD pattern files. ([email protected])
Good luck
It is not a good idea to study elemental composition using XRD data. I recommend XRF to check the Elemental Composition. If you are going for Scanning electron microscopy (SEM) measurement, you may energy dispersive X-ray spectroscopy (EDS) data if an energy dispersive detector is attached with the instrument.
Dear Sir
I mostly checked with Energy dispersive X ray spectroscopy as with SEM you get the data.With XRD you can get structural parameters and not the elemental composition.
From the intensity of relevant peaks and from the characteristics of the peaks in the resulted pattern of X-ray reflection. You should be aware from the initial composition of your materials. You may have some idea from the study given at link; https://www.researchgate.net/publication/352830671 or http://dx.doi.org/10.13140/RG.2.2.27720.65287. However, you should use the EDX analysis to get estimation in wt.% or at.% of composed atoms.
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