Theoretical Study of the π-Bridge Influence with Different Units of Thiophene and Thiazole in Coumarin Dye-Sensitized Solar Cells
المؤلفون المشاركون
Soto-Rojo, Rody
Baldenebro-López, Jesús
Glossman-Mitnik, Daniel
المصدر
International Journal of Photoenergy
العدد
المجلد 2016، العدد 2016 (31 ديسمبر/كانون الأول 2016)، ص ص. 1-8، 8ص.
الناشر
Hindawi Publishing Corporation
تاريخ النشر
2016-01-18
دولة النشر
مصر
عدد الصفحات
8
التخصصات الرئيسية
الملخص EN
Eight coumarin derivative dyes were studied by varying the π-bridge size with different thiophene and thiazole units for their potential use in dye-sensitized solar cells (DSSC).
Geometry optimization, the energy levels and electron density of the Highest Occupied Molecular Orbital and the Lowest Unoccupied Molecular Orbital, and ultraviolet-visible absorption spectra were calculated by Density Functional Theory (DFT) and Time-Dependent-DFT.
All molecular properties were analyzed to decide which dye was the most efficient.
Furthermore, chemical reactivity parameters, such as chemical hardness, electrophilicity index, and electroaccepting power, were obtained and analyzed, whose values predicted the properties of the dyes in addition to the rest of the studied molecular properties.
Our calculations allow us to qualitatively study dye molecules and choose the best for use in a DSSC.
The effects of π-bridges based on thiophenes, thiazoles, and combinations of the two were reviewed; dyes with three units mainly of thiazole were chosen as the best photosensitizers for DSSC.
نمط استشهاد جمعية علماء النفس الأمريكية (APA)
Soto-Rojo, Rody& Baldenebro-López, Jesús& Glossman-Mitnik, Daniel. 2016. Theoretical Study of the π-Bridge Influence with Different Units of Thiophene and Thiazole in Coumarin Dye-Sensitized Solar Cells. International Journal of Photoenergy،Vol. 2016, no. 2016, pp.1-8.
https://search.emarefa.net/detail/BIM-1106503
نمط استشهاد الجمعية الأمريكية للغات الحديثة (MLA)
Soto-Rojo, Rody…[et al.]. Theoretical Study of the π-Bridge Influence with Different Units of Thiophene and Thiazole in Coumarin Dye-Sensitized Solar Cells. International Journal of Photoenergy No. 2016 (2016), pp.1-8.
https://search.emarefa.net/detail/BIM-1106503
نمط استشهاد الجمعية الطبية الأمريكية (AMA)
Soto-Rojo, Rody& Baldenebro-López, Jesús& Glossman-Mitnik, Daniel. Theoretical Study of the π-Bridge Influence with Different Units of Thiophene and Thiazole in Coumarin Dye-Sensitized Solar Cells. International Journal of Photoenergy. 2016. Vol. 2016, no. 2016, pp.1-8.
https://search.emarefa.net/detail/BIM-1106503
نوع البيانات
مقالات
لغة النص
الإنجليزية
الملاحظات
Includes bibliographical references
رقم السجل
BIM-1106503
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