out of different diffracted peaks, which peak we have to select for particle size calculation using Sherrer formula.
The calculation using Scherrer formula assumes a certain shape factor and generally isotropic. In real life crystals neither of those assumptions are true but far from it.
"usually an average of all peaks" will only smudge the data and give you an average "isotropic" reciprocal space parameter and hence a "smudged" interpretation. The use of "(h00), (0k0) and (00l) peaks" will give a better estimate of the an-isotropic character of the real life sample.
The broadening of X-ray diffractions reflections can be investigated using different methods: (1) the Scherrer method, (2) the Warren-Averbach approach, (3) the Langford method, (4) several whole pattern analysis approaches (Kojdecki method, Leoni method,...), (5) and others.
The parameter B ( full width at half maximum) should be converted to radians instead of degrees , so the B must be multiplied by 3.14 and divided by 180
Another point is that , cos Theta is cos ( angle /2) because the reading is 2 theta
you can use the equation of Debye-Scherrer methods Dv = Kλ/βcosθ
Where Dv, presents average nanoparticle size; K, depictsScherrer constant (i.e. 0.9); λ, means radiation wavelength;β, implies full width at half maximum; and θ, infers diffractionpattern angle.
How to measure the yield percentage of CNTs produced from alcohols as carbon source with using catalyst Fe/MgO and without using catalyst by CVD method?
There are several mathematical models to study the microstructural parameters of crystalline materials (Scherrer, Williamson-Hall, Langford, Leoni, Kojdecki and others).
BEST ANSWER AMONG ALL OTHERS (spamy) ones....
!!!!!!!!!!!!!!!!!!!!!!!!!! How to use Scherrer equation correctly!!!!!
Bakhtyar K. Aziz · 5.58 · 3.62 · University of SulaimaniThe parameter B ( full width at half maximum) should be converted to radians instead of degrees , so the B must be multiplied by 3.14 and divided by 180
Roughly you can use Deby-Sherrier equation but you need to know the stack length Lc due to (002), (004) Bragg plane and stack diameter La due to (110), (220), (111), (131) (131) Bragg plane
Also you can use the X-ray analysis Traces program from Diffraction Technology PTG LTD, Australia to assess the accuracy of the values.
I agree with prof Mathias Strauss. Then diffraction intensity profiles first correct to background line intensity and instrumental broadening and then fitted into a symmetrical Gaussian distribution. The crystallite parameters of your sample such as d002 spacing stack diameter (La) and stack height, (Lc) can be calculated from the full width at half maximum (FWHM) of the diffraction peaks using Bragg’s equation and Deby-Sherrier equation
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