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Title: | Effect of oligothiophene spacer length on photogenerated charge transfer from perylene diimide to boron-doped diamond electrodes | Authors: | Lopez-Carballeira, Diego RAYMAKERS, Jorne Artemenko, Anna LENAERTS, Ruben Cermak, Jan Kulicek, Jaroslav NICLEY, Shannon Kromka, Alexander HAENEN, Ken MAES, Wouter Rezek, Bohuslav |
Issue Date: | 2022 | Publisher: | ELSEVIER | Source: | SOLAR ENERGY MATERIALS AND SOLAR CELLS, 248 (Art N° 111984) | Abstract: | Organic-based photovoltaic devices emerged as a complementary technology to silicon solar cells with specific advantages in terms of cost, ease of deployment, semi-transparency, and performance under low and diffuse light conditions. In this work, thin-film boron-doped diamond (B:NCD) electrodes are employed for their useful op-tical, electronic, and chemical properties, as well as stability and environmental safety. A set of oligothiophene perylene diimide (nT-PDI) donor-acceptor chromophores is designed and synthesized in order to investigate the influence of the oligothiophene spacer length when the nT-PDI molecule is attached to a B:NCD electrode. The chromophores are anchored to the diamond surface via diazonium grafting followed by Sonogashira cross -coupling. X-ray photoelectron spectroscopy shows that the surface coverage decreases with increasing oligo-thiophene length. Density functional theory (DFT/TDDFT) calculations reveal the upright nT-PDI orientation and the most efficient photogenerated charge separation and injection to diamond for elongated oligothiophene chains (8T-PDI). Yet, the maximum photovoltage is obtained for an intermediate oligothiophene length (3T-PDI), providing an optimum between decreasing transport efficiency and increasing efficiency of charge separation and reduced recombination with increasing oligothiophene length. Holes transferred from nT-PDI to diamond persist there even after the illumination is switched off. Such features may be beneficial for application in solar cells. | Notes: | Lopez-Carballeira, D; Rezek, B (corresponding author), Czech Tech Univ, Fac Elect Engn, Tech 2, Prague 16627, Czech Republic.; Maes, W (corresponding author), Hasselt Univ, Inst Mat Res IMO, B-3590 Diepenbeek, Belgium.; Maes, W (corresponding author), Hasselt Univ, IMEC VZW, IMOMEC, B-3590 Diepenbeek, Belgium. lopezdie@fel.cvut.cz; wouter.maes@uhasselt.be; rezekboh@fel.cvut.cz |
Keywords: | Diamond;Donor-acceptor molecules;Photovoltage;Charge transfer;Time-dependent DFT | Document URI: | http://hdl.handle.net/1942/38806 | ISSN: | 0927-0248 | e-ISSN: | 1879-3398 | DOI: | 10.1016/j.solmat.2022.111984 | ISI #: | 000862219800004 | Rights: | 2022 Elsevier B.V. All rights reserved. | Category: | A1 | Type: | Journal Contribution | Validations: | ecoom 2023 |
Appears in Collections: | Research publications |
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Effect of oligothiophene spacer length on photogenerated charge transfer from perylene diimide to boron-doped diamond electrodes.pdf Restricted Access | Published version | 3.67 MB | Adobe PDF | View/Open Request a copy |
Diego-SOLMAT-Manuscript_v4_no highlights.pdf Until 2024-12-31 | Peer-reviewed author version | 1.56 MB | Adobe PDF | View/Open Request a copy |
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