I am working on titanium oxide nanoparticles as a photo-catalyst and as known it absorbs in UV region.
Doping is a a route to shift its absorption to visible.
So, I am asking about:
Is there a method, technique or model to calculate or predict the optimum concentration of other metal to shift TiO absorption to visible?
The primary purpose of doping is to create band-tails so as to create a shift of the absorption closer to visible spectrum. Therefore, the optimum doping concentration varies with different element(s) intended for the purpose.
If you have a specific element in mind, a literature survey might help to determine the actual amount required to solve your purpose.
I hope it helps.
There are works with Fe2O3, CdSe or LaTiO2 with lower BandGaps but about prediction methods, I've never see nothing, you must try different combinations and so on...
I guess you refer to TiO2 nanoparticles...
As far as I know, your approach has been tried in the past without success, either due to the absence of significant shift towards visible light or because of unstability of the doped SC. In adittion, you should take into account if the shifted bands would have the required energies to drive your reaction...
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