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Title Exploring the potential of tetraazaacene derivatives as photovoltaic materials with enhanced photovoltaic parameters
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Subject Acceptor, open circuit voltage, photophysical properties, photovoltaics
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Author Rida Fatima,Rao Aqil Shehzad, Alvina Rasool, Muham
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Diss#. https://doi.org/10.1002/qua.26817
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Text Language English
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Library Section Research Article
Abstract A series of D-π-A type molecules have been designed for their potential use in organic photovoltaic devices. Photovoltaic and optoelectronic characteristics of newly designed molecules have been explored by comparing with a reference molecule R comprising of the central core (2,3,8,9-tetrakis(thiophen-2-ylethynyl)- 5,7,10,12-tetrakis((trimethylsilyl)ethynyl)pyrazino[2,3-b]phenazine) and π-bridge (thiophene). The end groupsare (2-(2-ethylidene-3-oxo-2,3-dihydro-1H-inden-1 ylidene)malononitrile), (2-ethylidenemalonitrile), (methyl 2-cyanoacrylate) and (3-methyl-5-methylene-2-thioxothiazolidin-4-one) in the newly designed molecules. Among the investigated molecules M1 and M2 exhibit a broad absorption range of 627 and 626 nm with respect to the reference. All the designed molecules exhibited a lower bandgap as compared to R which indicates a better transfer of electron density from highest occupied molecular orbital (HOMO) to lowest unoccupied molecular orbital (LUMO). The reorganization