How to calculate crystal size by using Scherrer formula?
I found a paper in which the author said that he using Scherrer formula calculate the XRD patterns showed in Fig.1 and got the result in Fig.2.
I known that Scherrer formula is D=Kλ/(β cos θ)and in his case, the K=0.89 and λ=0.154nm. But after I tried to calculating it, the results I got are quiet different from Fig.2. So I wondering maybe I misunderstood something. Can anyone teach me how to calculate it correctly ?
I also attached the paper in the file if you want to check it.
Dear Jiedi
find out the FWHM of xrd peaks and noted down the corresponding 2theta, remember this value of angle is in degree. convert it in to theta (devide by 2) and then in radian. Put these in Scherer fumula you will definitely get your answer.
Best regards, A. Ahad
Dear Jiedi
find out the FWHM of xrd peaks and noted down the corresponding 2theta, remember this value of angle is in degree. convert it in to theta (devide by 2) and then in radian. Put these in Scherer fumula you will definitely get your answer.
Best regards, A. Ahad
Dear Jiedi,
A common mistake that you could be making is that you might be taking a peak that is a combination of two peaks. In that case you would have to deconvolute the peaks and find out the contribution to FWHM to the peak individually. In the present example it is quite clear that at the 5h and 15h stages the peak is a combnation of two peaks (002) and (130) respectively.
Additionally, we should use scherrer formula on a higher angle peak such that the error in calculation is lesser.
The common mistake is the failure to convert degree in radian. Have you considered the instrumental broadening? Are you in a range of particle sizes where you can neglet this contribution?
Please refer this link
http://prism.mit.edu/xray/oldsite/5a%20Estimating%20Crystallite%20Size%20Using%20XRD.pdf
I Also used rikangu instrument of XRD.d-spacing value is very easily to calculated in EXCEL by shortcut method
I think this link is very helpful
http://www.instanano.com/characterization/theoretical/xrd-size-calculation/
Dear Mr Li,
Use Excel to solve the equation. You need only the values of theta and peak broading in redians.
Best regards
Scherrer formula is used to calculate the crystal size based on the broadening of the diffraction pattern.
Use the following paper:
https://link.springer.com/article/10.1007/s11664-019-07577-w
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