High-Efficiency and Low-Energy-Loss Organic Solar Cells Enabled by Tuning the End Group Modification of the Terthiophene-Based Acceptor Molecules to Enhance Photovoltaic Properties.

التفاصيل البيبلوغرافية
العنوان:	High-Efficiency and Low-Energy-Loss Organic Solar Cells Enabled by Tuning the End Group Modification of the Terthiophene-Based Acceptor Molecules to Enhance Photovoltaic Properties.
المؤلفون:	Rehman FU; Department of Chemistry, University of Agriculture, Faisalabad 38000, Pakistan., Hameed S; Department of Chemistry, University of Agriculture, Faisalabad 38000, Pakistan., Khera RA; Department of Chemistry, University of Agriculture, Faisalabad 38000, Pakistan., Shaban M; Department of Physics, Faculty of Science, Islamic University of Madinah, Madinah 42351, Saudi Arabia., Essid M; Chemistry Department, College of Science, King Khalid University (KKU), P.O. Box, Abha 9004. Saudi Arabia., Aloui Z; Chemistry Department, College of Science, King Khalid University (KKU), P.O. Box, Abha 9004. Saudi Arabia., Al-Saeedi SI; Department of Chemistry. Collage of Science, Princess Nourah Bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi Arabia., Ibrahim MAA; Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt.; School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban 4000, South Africa., Waqas M; Department of Chemistry, University of Agriculture, Faisalabad 38000, Pakistan.
المصدر:	ACS omega [ACS Omega] 2023 Nov 01; Vol. 8 (45), pp. 42492-42510. Date of Electronic Publication: 2023 Nov 01 (Print Publication: 2023).
نوع المنشور:	Journal Article
اللغة:	English
بيانات الدورية:	Publisher: American Chemical Society Country of Publication: United States NLM ID: 101691658 Publication Model: eCollection Cited Medium: Internet ISSN: 2470-1343 (Electronic) Linking ISSN: 24701343 NLM ISO Abbreviation: ACS Omega Subsets: PubMed not MEDLINE
أسماء مطبوعة:	Original Publication: Washington, D.C. : American Chemical Society, [2016]-
مستخلص:	In the current study, six nonfullerene small acceptor molecules were designed by end-group modification of terminal acceptors. Density functional theory calculations of all designed molecules were performed, and optoelectronic properties were computed by employing different functionals. Every constructed molecule has a significant bathochromic shift in the maximum absorption value (λ max ) except AM6 . AM1 - AM4 molecules represented a narrow band gap ( E g ) and low excitation energy values. The AM1 - AM4 and AM6 molecules have higher electron mobility. Comparing AM2 to the reference molecule reveals that AM2 has higher hole mobilities. Compared to the reference molecule, all compounds have excellent light harvesting efficiency values compared to AM1 and AM2 . The natural transition orbital investigation showed that AM5 and AM6 had significant electronic transitions. The open-circuit voltage ( V oc ) values of the computed molecules were calculated by combining the designed acceptor molecules with PTB7-Th. In light of the findings, it is concluded that the designed molecules can be further developed for organic solar cells (OSCs) with superior photovoltaic abilities. Competing Interests: The authors declare no competing financial interest. (© 2023 The Authors. Published by American Chemical Society.)
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تواريخ الأحداث:	Date Created: 20231129 Latest Revision: 20231201
رمز التحديث:	20231201
مُعرف محوري في PubMed:	PMC10652832
DOI:	10.1021/acsomega.3c05176
PMID:	38024709
قاعدة البيانات:	MEDLINE

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تدمد:	2470-1343
DOI:	10.1021/acsomega.3c05176