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العنوان
Quantum Chemical Calculations of the Electronic Properties of Some Dyes for DSSCs Applications /
المؤلف
Khamis, Noha Mahmoud Ahmed Fathy.
هيئة الاعداد
مشرف / Noha Mahmoud Ahmed Fathy Khamis
مشرف / Ahmed Abdel-Gawad Hasanein
مشرف / Nasr Hussein El-Hammamy
مشرف / Hussein Mohamed Ahmed Mustafa
الموضوع
Quantum. Dyes .
تاريخ النشر
2019.
عدد الصفحات
100 p. :
اللغة
الإنجليزية
الدرجة
ماجستير
التخصص
الكيمياء
تاريخ الإجازة
9/6/2019
مكان الإجازة
جامعة الاسكندريه - كلية التمريض - Chemistry Department
الفهرس
Only 14 pages are availabe for public view

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Abstract

In this thesis we used the DFT (B3LYP and PBE), TD-DFT and C-PCM quantum chemical methods combined with different basis sets to calculate the ground state properties, optimum molecular geometries, optical and spectroscopic properties of free porphyrin and Zn porphyrin dyes. Also, their interaction with TiO2 cluster surface was studied.