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BANDITA DATTA
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Volume 45 All articles Published: 7 November 2022 Article ID 0223
TEODORA KNEŽ EVIĆ JOYDEEP BISWAS BANDITA DATTA
In this study, seven diphenylpolyene (DPPE) derivatives have been designed with the aim of studying its application for bulk heterojunction (BHJ) solar cell. These DPPE derivatives were designed based on the extended system of conjugated ${\pi}$-systems. Density functional theory has been used to study the electronic and geometric properties of DPPE derivatives. A comparative study of absorption properties has been carried out using B3LYP and CAM-B3LYP methods. The electrostatic potential plots indicated significant charge transfer characteristics for all the designed molecules. The $E_{gap}$ calculated for all the molecules have shown potential application for BHJ solar cell, where best results were obtained for DPPE7 derivative containing electron-withdrawing groups at the acceptor unit. The $E_{gap}$ is the lowest in this derivative and have shown the most favourable photoelectronic properties.
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Bulletin of Materials Science
Volume 46, 2023
All articles
Continuous Article Publishing mode
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Bulletin of Materials Science | News
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Dr Shanti Swarup Bhatnagar for Science and Technology
Posted on October 12, 2020Prof. Subi Jacob George — Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru
Chemical Sciences 2020Prof. Surajit Dhara — School of Physics, University of Hyderabad, Hyderabad
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Posted on July 25, 2019Click here for Editorial Note on CAP Mode
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