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Benzodithiophene-functionalized oligothiophene with barbituric acid hydrogen-bonding unit self-assembles into nanoscopic structures via the formation of rosettes. The nanostructures show a power conversion efficiency of 3% upon mixing with PC61BM in bulk-heterojunction solar cells without thermal annealing.
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http://dx.doi.org/10.1039/c6cc03430f | DOI Listing |
Nano Lett
September 2025
School of Chemistry and Materials Science, Hunan Agricultural University, Changsha 410128, China.
Passivating detrimental defects is essential for improving perovskite solar cells (PSCs) performance. While hydrogen interstitials are often considered harmful, their role in defect passivation remains unclear. Using nonadiabatic molecular dynamics, we uncover a self-passivation mechanism between hydrogen (H) and bromine (Br) interstitials in all-inorganic CsPbBr perovskites.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
September 2025
Beijing Advanced Innovation Center for Soft Matter Science and Engineering & State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing, 100029, P.R. China.
The donor/acceptor (D/A) interfaces in bulk heterojunction (BHJ) organic solar cells (OSCs) critically govern exciton dissociation and molecular diffusion, determining both efficiency and stability. Herein, we design a double-cable conjugated polymer, SC-1F, to insert into a physically-blended D/A system to optimize the interface. We have found that SC-1F spontaneously segregates to the interface through favorable miscibility and heterogeneous nucleation with the acceptor.
View Article and Find Full Text PDFAdv Mater
September 2025
Instituto de Ciencia Molecular (ICMol), Universidad de Valencia, Calle Catedrático José Beltrán 2, Paterna, 46980, Spain.
Formamidinium lead iodide perovskite compositions have a low open circuit voltage deficit and thus a higher power conversion efficiency (PCE) potential. However, their low bandgap makes it difficult to achieve a semitransparent perovskite solar cell (ST-PSC) with a high average visible transmittance (AVT) and thus, a high light utilization efficiency (LUE). Attaining a high AVT in such low bandgap perovskite‑based semitransparent solar cells requires the perovskite layer to be very thin (thickness < ≈100 nm) and the rear electrode to be made of a transparent conductive oxide.
View Article and Find Full Text PDFJ Phys Chem Lett
September 2025
Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87106, United States.
Defects significantly influence charge transport in CHNHPbI (MAPbI) perovskite solar cells, particularly at interfaces. Using quantum dynamics simulation, we reveal a distinct interstitial iodine (I) defect behavior at different positions in the TiO/MAPbI system. In the perovskite bulk-like region, I exhibits high mobility and dissociates detrimental iodine trimers, facilitating small-to-large polaron transition and promoting shallow trap formation.
View Article and Find Full Text PDFSmall
September 2025
Beijing Key Laboratory of Energy Conversion and Storage Materials, College of Chemistry, Beijing Normal University, Beijing, 100875, China.
This study presents a novel carbazole derivative functionalized with hydroxy diphosphonic acid groups (HDPACz) as an efficient annealing-free hole transport layer (HTL) through strong bidentate anchoring to indium tin oxide (ITO). Compared to conventional mono-phosphonic acid counterparts, HDPACz demonstrates superior ITO surface coverage and interfacial dipole, effectively modulating the work function of ITO. Theoretical calculations reveal enhanced adsorption energy (-3.
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