High-Efficiency Triple-Junction Polymer Solar Cell: A Theoretical Approach
This study presents the theoretical design and evaluation of a triple-junction polymer solar cell architecture, incorporating oligomers of PDCBT, PPDT2FBT, and PDPP3T as donor materials and PC<sub>71</sub>BM as the electron acceptor. Using density functional theory (DFT) simulations and...
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MDPI AG
2024-11-01
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| Online Access: | https://www.mdpi.com/1420-3049/29/22/5370 |
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| author | Fazli Sattar Xiaozhuang Zhou Zakir Ullah |
| author_facet | Fazli Sattar Xiaozhuang Zhou Zakir Ullah |
| author_sort | Fazli Sattar |
| collection | DOAJ |
| description | This study presents the theoretical design and evaluation of a triple-junction polymer solar cell architecture, incorporating oligomers of PDCBT, PPDT2FBT, and PDPP3T as donor materials and PC<sub>71</sub>BM as the electron acceptor. Using density functional theory (DFT) simulations and time-dependent DFT (TD-DFT) methods, the investigation covers essential photovoltaic parameters, including molecular geometries, UV-Vis spectra, and charge transport properties. The device is structured to maximize solar energy absorption across the spectrum, featuring front, middle, and back junctions with band gaps of 1.9 eV, 1.63 eV, and 1.33 eV, respectively. Each layer targets different regions of the solar spectrum, optimizing light harvesting and charge separation. This innovative multi-junction design offers a promising pathway to enhanced power conversion efficiencies in polymer solar cells, advancing the integration of renewable energy technologies. |
| format | Article |
| id | doaj-art-8b901dfa899b4ac49eae1fbf008ae369 |
| institution | DOAJ |
| issn | 1420-3049 |
| language | English |
| publishDate | 2024-11-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj-art-8b901dfa899b4ac49eae1fbf008ae3692025-08-20T02:48:01ZengMDPI AGMolecules1420-30492024-11-012922537010.3390/molecules29225370High-Efficiency Triple-Junction Polymer Solar Cell: A Theoretical ApproachFazli Sattar0Xiaozhuang Zhou1Zakir Ullah2Yangtze Delta Region Institute (Huzhou), University of Electronic Science and Technology of China, Huzhou 313001, ChinaYangtze Delta Region Institute (Huzhou), University of Electronic Science and Technology of China, Huzhou 313001, ChinaInstitut de Ciència de Materials de Barcelona (ICMAB-CSIC), Consejo Superior de Investigaciones Científicas, Campus Universitari de Bellaterra, 08193 Cerdanyola del Vallès, SpainThis study presents the theoretical design and evaluation of a triple-junction polymer solar cell architecture, incorporating oligomers of PDCBT, PPDT2FBT, and PDPP3T as donor materials and PC<sub>71</sub>BM as the electron acceptor. Using density functional theory (DFT) simulations and time-dependent DFT (TD-DFT) methods, the investigation covers essential photovoltaic parameters, including molecular geometries, UV-Vis spectra, and charge transport properties. The device is structured to maximize solar energy absorption across the spectrum, featuring front, middle, and back junctions with band gaps of 1.9 eV, 1.63 eV, and 1.33 eV, respectively. Each layer targets different regions of the solar spectrum, optimizing light harvesting and charge separation. This innovative multi-junction design offers a promising pathway to enhanced power conversion efficiencies in polymer solar cells, advancing the integration of renewable energy technologies.https://www.mdpi.com/1420-3049/29/22/5370solar cellDFTTD-DFTUV-VisHOMOLUMO |
| spellingShingle | Fazli Sattar Xiaozhuang Zhou Zakir Ullah High-Efficiency Triple-Junction Polymer Solar Cell: A Theoretical Approach Molecules solar cell DFT TD-DFT UV-Vis HOMO LUMO |
| title | High-Efficiency Triple-Junction Polymer Solar Cell: A Theoretical Approach |
| title_full | High-Efficiency Triple-Junction Polymer Solar Cell: A Theoretical Approach |
| title_fullStr | High-Efficiency Triple-Junction Polymer Solar Cell: A Theoretical Approach |
| title_full_unstemmed | High-Efficiency Triple-Junction Polymer Solar Cell: A Theoretical Approach |
| title_short | High-Efficiency Triple-Junction Polymer Solar Cell: A Theoretical Approach |
| title_sort | high efficiency triple junction polymer solar cell a theoretical approach |
| topic | solar cell DFT TD-DFT UV-Vis HOMO LUMO |
| url | https://www.mdpi.com/1420-3049/29/22/5370 |
| work_keys_str_mv | AT fazlisattar highefficiencytriplejunctionpolymersolarcellatheoreticalapproach AT xiaozhuangzhou highefficiencytriplejunctionpolymersolarcellatheoreticalapproach AT zakirullah highefficiencytriplejunctionpolymersolarcellatheoreticalapproach |