Double heterojunction nanorods enable both electroluminescence and light harvesting capabilities within the same device structure, providing a promising platform for energy-scavenging displays and related applications. However, the efficiency of the photovoltaic mode remains modest for useful power conversion and may be challenging to improve without sacrificing performance in electroluminescence. Through a facile on-film partial ligand exchange with benzenethiol integrated into the device fabrication step, we achieve an average of more than threefold increase in power conversion efficiency while maintaining the maximum external quantum efficiency and the maximum luminance in the LED mode. The improved photovoltaic performance is mainly due to the increase in the short circuit current, which we attribute to the enhanced charge separation afforded by the partial ligand exchange. The recovery of the photoluminescence lifetime under the forward bias suggests that the hole traps introduced by benzenethiols are filled prior to reaching the voltage at which light emission begins, allowing LED performance to be maintained and possibly improved.
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http://dx.doi.org/10.1063/5.0147782 | DOI Listing |
J Fluoresc
January 2025
Department of Chemistry, College of Science, Taif University, P.O. Box 11099, Taif, 21944, Saudi Arabia.
This study investigates the electronic properties and photovoltaic (PV) performance of newly designed bithiophene-based dyes, focusing on their light harvesting efficiency (LHE), open-circuit voltage (V), fill factor (FF), and short-circuit current density (J).These new dyes are designed with the help of machine learning (ML) to design best donor acceptor designs. For this, we collect 2567 differenr electron donor groups and calculated their bandgap with the help of Random Forest (RF) Regression method.
View Article and Find Full Text PDFJ Fluoresc
January 2025
Department of Physics \ Collage of Sciences, University of Kufa, Najaf, Iraq.
This research utilizes density functional theory to investigate the ground and excited-state properties of a new series of organic dyes with D-π-A configurations (D1-D6) for their potential application in dye-sensitized solar cells. The study focuses on modifying these dyes using various functional groups as π-bridges to optimize their electronic properties and improve their efficiency as sensitizers in DSSCs. The frontier molecular orbitals (HOMO and LUMO) were analysed to evaluate electron transfer properties.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
University of Fribourg Faculty of Science: Universite de Fribourg Faculte de sciences et de medecine, Adolphe Merkle Institue, Chemin des Verdiers 4, 1700, Fribourg, SWITZERLAND.
Metal halide perovskites have shown exceptional potential in converting solar energy to electric power in photovoltaics, yet their application is hampered by limited operational stability. This stimulated the development of hybrid layered (two-dimensional, 2D) halide perovskites based on hydrophobic organic spacers, templating perovskite slabs, as a more stable alternative. However, conventional organic spacer cations are electronically insulating, resulting in charge confinement within the inorganic slabs, thus limiting their functionality.
View Article and Find Full Text PDFMaterials (Basel)
January 2025
Fort Hare Institute of Technology, University of Fort Hare, Private Bag X1314, Alice 5700, Eastern Cape, South Africa.
Perovskite solar cells (PSCs) are regarded as extremely efficient and have significant potential for upcoming photovoltaic technologies due to their excellent optoelectronic properties. However, a few obstacles, which include the instability and high costs of production of lead-based PSCs, hinder their commercialization. In this study, the performance of a solar cell with a configuration of FTO/CdS/BaZrS/HTL/Ir was optimized by varying the thickness of the perovskite layer, the hole transport layer, the temperature, the electron transport layer (ETL)'s defect density, the absorber defect density, the energy band, and the work function for back contact.
View Article and Find Full Text PDFMaterials (Basel)
January 2025
Key Laboratory of Applied Surface and Colloid Chemistry, National Ministry of Education, Shaanxi Key Laboratory for Advanced Energy Devices, Shaanxi Engineering Laboratory for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi'an 710119, China.
Perovskite solar cells (PSCs) can utilize the residual photons from indoor light and continuously supplement the energy supply for low-power electron devices, thereby showing the great potential for sustainable energy ecosystems. However, the solution-processed perovskites suffer from serious defect stacking within crystal lattices, compromising the low-light efficiency and operational stability. In this study, we designed a multifunctional organometallic salt named sodium sulfanilate (4-ABS), containing both electron-donating amine and sulfonic acid groups to effectively passivate the positively-charged defects, like under-coordinated Pb ions and iodine vacancies.
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