TD-DFT Investigations on Optoelectronic Properties of Fluorescein Dye Derivatives in Dye-Sensitized Solar Cells (DSSCs)
المؤلفون المشاركون
Vuai, Said A. H.
Juma, Juma Mzume
Babu, N. Surendra
المصدر
International Journal of Photoenergy
العدد
المجلد 2019، العدد 2019 (31 ديسمبر/كانون الأول 2019)، ص ص. 1-8، 8ص.
الناشر
Hindawi Publishing Corporation
تاريخ النشر
2019-01-08
دولة النشر
مصر
عدد الصفحات
8
التخصصات الرئيسية
الملخص EN
This research work was conducted to investigate the structural, molecular, electronic, and photophysical parameters of the fluorescein dye derivatives using the density functional theory (DFT) and time dependent-density functional theory (TD-DFT) computations.
The organic donor-π-acceptor dye used for dye-sensitized solar cells, based on 2-(3-hydroxy-6-oxo-6H-xanthene-9-yl)benzoic acid (fluorescein) and its five derivatives, was investigated.
The derivatives were formed by attaching different donor groups at para position.
The excited state energies, electron absorption spectra, and oscillator strengths (f) were calculated using TD-DFT/B3LYP/6-311G basis set calculations on fully DFT-optimized geometries.
The HOMO orbital, LUMO orbital, and energy gap values show that fluorescein attached with thiophene (FST) compound has a smaller energy gap compared to others and the fluorescein attached with an amine (FSA) have a larger energy gap than all compounds.
The increasing order of the energy gap between HOMO and LUMO for the fluorescein and its derivatives is FST < FSE < FSM < FS < FSO < FSA.
In terms of electron injection efficiency, it was found that the FST has higher electron injection efficiency compared with other derivatives.
In addition, light-harvesting efficiencies (LHEs) were calculated and the results showed that the FST has the highest LHE value.
It is therefore suggested that FST has better properties for application in DSSC according to the result obtained.
نمط استشهاد جمعية علماء النفس الأمريكية (APA)
Juma, Juma Mzume& Vuai, Said A. H.& Babu, N. Surendra. 2019. TD-DFT Investigations on Optoelectronic Properties of Fluorescein Dye Derivatives in Dye-Sensitized Solar Cells (DSSCs). International Journal of Photoenergy،Vol. 2019, no. 2019, pp.1-8.
https://search.emarefa.net/detail/BIM-1167145
نمط استشهاد الجمعية الأمريكية للغات الحديثة (MLA)
Juma, Juma Mzume…[et al.]. TD-DFT Investigations on Optoelectronic Properties of Fluorescein Dye Derivatives in Dye-Sensitized Solar Cells (DSSCs). International Journal of Photoenergy No. 2019 (2019), pp.1-8.
https://search.emarefa.net/detail/BIM-1167145
نمط استشهاد الجمعية الطبية الأمريكية (AMA)
Juma, Juma Mzume& Vuai, Said A. H.& Babu, N. Surendra. TD-DFT Investigations on Optoelectronic Properties of Fluorescein Dye Derivatives in Dye-Sensitized Solar Cells (DSSCs). International Journal of Photoenergy. 2019. Vol. 2019, no. 2019, pp.1-8.
https://search.emarefa.net/detail/BIM-1167145
نوع البيانات
مقالات
لغة النص
الإنجليزية
الملاحظات
Includes bibliographical references
رقم السجل
BIM-1167145
قاعدة معامل التأثير والاستشهادات المرجعية العربي "ارسيف Arcif"
أضخم قاعدة بيانات عربية للاستشهادات المرجعية للمجلات العلمية المحكمة الصادرة في العالم العربي
تقوم هذه الخدمة بالتحقق من التشابه أو الانتحال في الأبحاث والمقالات العلمية والأطروحات الجامعية والكتب والأبحاث باللغة العربية، وتحديد درجة التشابه أو أصالة الأعمال البحثية وحماية ملكيتها الفكرية. تعرف اكثر