I have prepared fe doped TiO2 nanoparticles 0%,1%,5%,10% at annealing 400C anatase phase and 800C rutile..Strain value for anatase is positive but for rutile all values are negative..How i explain it..i have already recalculated it...plz help
Neetu Rathore
Minor comment but your lower table indicates “Debye-Schererrer method”. There is no such thing as many discussions on this forum will show you.
Ashraf Alattar
The paper has very low credibility by referring to the 'Debye Scherer' equation. The relevant equation is the Scherrer equation. There is no such thing as a Debye Scherrer (however spelled) equation. Look for many discussions on this topic on RG. The paper states that the particle size was obtained by this method. No, it cannot be - the crystallite size can be determined by the Scherrer method (which does not separate out the other broadening causes - instrumental broadening and strain broadening). There is no evidence that instrumental broadening was estimated in the paper (a pure crystalline sample with known XRD properties is used to do this usually. These days it tends to be LaB6. I used quartz of about 15 microns particle size in the 1970's).
Figure 4 in the paper shows points placed by a shotgun.
There are multiple spelling, typographical, and English language errors in the paper. Take a look at the opening sentence of the paper itself:
In the recent day’s research activities, semiconductor plays an important roll across the world'. Is this a cheese roll or an egg roll? I could accept role or even rôle for this but not 'roll'... Both the texts before and after the comma are drivel...
The chemistry is problematical. For instance the line 'Titanium tetra isopropoxide (TTIP) and Copper Acetate' has multiple errors. The recognized wording is titanium (IV) isopropoxide. 'Copper Acetate' should read copper acetate (obviously the 'C' starts the sentence) as chemical names do not contain upper case letters.
I could talk about 2 decimal places in the nanometer scale (xx.yy nm) but simply ask if you know the diameter of a hydrogen atom...?
The paper was obviously poorly (or not) refereed and therefore is not a credible reference.
Neetu Rathore
In terms of negative strain then there are some issues. Take a look at:
https://www.researchgate.net/post/Why_do_I_get_a_negative_slope_in_the_Williamson-Hall_plot_for_my_sample
..for hints.
Neetu Rathore
I suspect that your W-H graph is rather like Figure 4 in the paper I have critiqued above (i.e. points looking like they've been applied by shotgun). If genuine, it means microstrains cannot be a dominant source of broadening. But it seems you haven't taken care of instrumental broadening and thus I suspect that there's something awry with your sample preparation or measurement.
What should i do sir at last?... i am not getting proper explanation of rutile from paper and negative values are not practically acceptable...
Neetu Rathore
You are not helping us or yourself.
Show us your XRD scans and the W-H plots. All you have shown is is part of an Excel spreadsheet - and this has obvious mistakes casting doubt on everything underlying it. There is no raw data. One can do nothing with processed numbers. Rutile and anatase are easily distinguished by XRD as the peaks are in different places.
Please post your raw data and you may be able to get more help.
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