Browsing Yayın Koleksiyonu by Author "Cengiz Soykan / 0000-0003-0897-2384"

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Comparison of the effects of Sr2+ and Ca2+ substitution on the structural and electronic properties of the perovskites CH3NH3Pb1-xYxI3 (Y[dbnd]Sr, Ca) by using the Density Functional Theory

Soykan, Cengiz; Göçmez, Hasan (Elsevier B.V., 2021)

The Vienna ab-initio simulation package (VASP) and Density Functional Theory (DFT) calculation method are used to study the structural and detailed electronic properties through atomic substitution in the CH3NH3Pb(1-x)Y(x)I3 ...
First-principles study for comparison of the electronic and optic bandgaps of the CH3NH3Pb1-xYxI3 (Y=Bi, x=0.00, 0.125) and CH3NH3Pb1-xYxI3 (Y=Ca, Sr, x=0.125, 0.250) perovskites

Soykan, Cengiz; Göçmez, Hasan (Elsevier B.V., 2021)

We computed the optical bandgaps of the CH3NH3Pb(1-x)Y(x)I3 (Y=Bi, x = 0.00, 0.125) and CH3NH3Pb(1-x)Y(x)I3 (Y=Ca, Sr, x = 0.125, 0.250) perovskite crystal structures using optical arguments such as the imaginary part of ...