Designing efficient A-D-A1-D-A type fullerene free acceptor molecules with enhanced power conversion efficiency for solar cell applications

Malik Muhammad Iqbal Asif; Muhammad Arshad; Muhammad Yasir Mehboob; Muhammad Shahzeb Khan; Sanwal Piracha

doi:10.1016/j.saa.2022.121844

Designing efficient A-D-A1-D-A type fullerene free acceptor molecules with enhanced power conversion efficiency for solar cell applications

Abstract

The achievement of highly efficient power conversion efficiency (PCE) is a big concern for non-fullerene organic solar cells (NF-OSCs) because PCE can depend on numerous variables. Here, new five novel acceptor molecules without fullerenes were developed and investigated using DFT (density functional theory) and TD-DFT (time dependent-density functional theory). Compared to the recently synthesized molecule (PZ-dIDTC6), the developed molecules display a narrow optical band gap, exhibiting a red shift in the absorption spectrum. The developed molecules (YM1-YM5) express high mobility of electrons and holes in the active layer of OSCs (organic solar cells). In addition, high open-circuit voltage (Voc) values with maximum charge density shifting are noted in designed molecules. YM1-YM5 is also associated with low binding energy and excitation energy. This work proves that noncovalent conformational locking is favourable for improving PCE devices.

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Authors (5)

Malik Muhammad Iqbal Asif
Muhammad Arshad
Muhammad Yasir Mehboob
Muhammad Shahzeb Khan (formerly: Muhammad Khan)
Sanwal Piracha

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Category:: Articles
Type:: artykuły w czasopismach
Published in:: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY no. 285,
ISSN: 1386-1425
Language:: English
Publication year:: 2023
Bibliographic description:: Iqbal Asif M. M., Arshad M., Mehboob M. Y., Khan M., Piracha S.: Designing efficient A-D-A1-D-A type fullerene free acceptor molecules with enhanced power conversion efficiency for solar cell applications// SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY -Vol. 285,iss. 121844 (2022), s.1-10
DOI:: Digital Object Identifier (open in new tab) 10.1016/j.saa.2022.121844
Verified by:: Gdańsk University of Technology