I wish to theoretically calculate the amount of dopant that can maintain the solid solubility of perovskite system. AS single phase is necessary for solid electrolyte applications.
This old man tries in his own way irrespective of his young friends’ reaction/s. After all, the age does not deter a man to make an effort for an academic pursuit:
In a simple perovskite having the general formula ABO3[ A= divalent cation; B= tetravalent cation], let the dopant monovalent cation[C] replaces lattice sites [A ].In such a situation, the perovskite will lose its electrical neutrality. But the electrical neutrality can be maintained if we replace two [A] by two[C] and make one oxygen vacancy while keeping the two electrons as such. We scan its single derivative ESR spectrum and find the area of the peaks by applying the simple equation to calculate the number of oxygens(O):
A=w ^2.h
Where A= area, w= width; h= height of the peak respectively.
Now for causing one oxygen vacancy, we we have to add two ions of the monovalent dopant. Hence the number of dopants will be double the number of O vacancies.
Knowing number of the dopant cations, amount of the dopant can be calculated as:
=2.Number of O vacancies. Avogadro’s Number/ Gram atomic mass of C
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