A Theoretical Investigation for Exploring the Potential Performance of Non-Fullerene Organic Solar Cells Through Side-Chain Engineering Having Diphenylamino Groups to Enhance Photovoltaic Properties.

Autor: Abbas F; Department of Chemistry, University of Agriculture, Faisalabad, 38000, Pakistan., Bousbih R; Department of Physics, Faculty of Science, University of Tabuk, 71491, Tabuk, Saudi Arabia., Ayub AR; Key Laboratory of Clusters Science of Ministry of Education, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing, 100081, People's Republic of China., Zahid S; Department of Chemistry, University of Agriculture, Faisalabad, 38000, Pakistan., Aljohani M; Department of Chemistry, College of Science, Taif University, P.O. Box 11099, 21944, Taif, Saudi Arabia., Amin MA; Department of Chemistry, College of Science, Taif University, P.O. Box 11099, 21944, Taif, Saudi Arabia., Waqas M; Department of Chemistry, University of Agriculture, Faisalabad, 38000, Pakistan., Soliman MS; Department of Electrical Engineering, College of Engineering, Taif University, 21944, Taif, Saudi Arabia., Khera RA; Department of Chemistry, University of Agriculture, Faisalabad, 38000, Pakistan. rasheedahmadkhera@yahoo.com., Jahan N; Department of Chemistry, University of Agriculture, Faisalabad, 38000, Pakistan. nazishjahanuaf@yahoo.com.
Jazyk: angličtina
Zdroj: Journal of fluorescence [J Fluoresc] 2024 Jul 01. Date of Electronic Publication: 2024 Jul 01.
DOI: 10.1007/s10895-024-03805-7
Abstrakt: The development of ecofriendly fabrication phenomenon is essential requirement for commercialization of non-fullerene acceptors. Recently, end-capped modeling is employed for computational design of five non-fullerene acceptors to elevate various photovoltaic properties. All new molecules are formulated by altering the peripheral acceptors of CH 3 -2F and DFT methodology is employed to explore the opto-electronic, morphological and charge transfer analysis. From the computational investigation, all reported molecules manifested red shifted absorption with remarkable reduced band gap. Among investigated molecules, FA1-FA3 evinced effectively decreased value of band gaps and designed molecules have low excitation energy justifying proficient charge transference. The lower values of binding energy of FA1 and FA2 suggest their facile exciton dissociation leading to improved charge mobility. By blending with J61 donor, FA4 have sufficiently enhanced value of V OC (1.72 eV) and fill factor (0.9228). Energy loss of the model (R) is 0.57 eV and statistical calculation demonstrate that all our modified molecules except FA3 has profoundly reduced energy loss compelling in its pivotal utilization. From accessible supportive outcomes of recent investigation, it is recommended that our modified chromophore exhibit remarkable noteworthy applications in solar cells for forthcoming innovations.
(© 2024. The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.)
Databáze: MEDLINE
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