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The prerequisite for commercially viable organic solar cells (OSC) is to reduce the efficiency-stability-cost gap. Therefore, the cost of organic materials should be reduced by minimizing the synthetic steps, yet maintaining the molecular planarity and efficiencies achieved by the fused ring acceptors (FRA). In this respect, developing non-fused ring acceptors (NFRA) with suitable functionalization to favor conformational planarity and effective molecular packing is beneficial and cost-effective. Presently, the power conversion efficiency (PCE) for NFRAs is around 16 %, yet lower than the 19 % achieved for FRAs. Despite their potential, a thorough understanding of the effective structural design of NFRAs is necessary for developing efficient OSCs. This article pays special attention to the molecular design concept for NFRAs developed in the last years and analyzed the approach toward materials design and efficiency improvement, an important step toward technological application.
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http://dx.doi.org/10.1002/anie.202219245 | DOI Listing |
Luminescence
September 2025
School of Chemistry, South China Normal University, Guangzhou Key Laboratory of Analytical Chemistry for Biomedicine, GDMPA Key Laboratory for Process Control and Quality Evaluation of Chiral Pharmaceuticals, Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, Guangzhou, C
A series of 2-substituted 4H-chromen-4-ones 3a-3h containing triphenylamine or N-phenylcarbazole on the benzene ring were synthesized for the first time via the Suzuki coupling reaction. The photophysical properties of the compounds and their relationship to the structure of the compounds were investigated by methods such as spectroscopic analysis, single-crystal analysis, and theoretical calculations. The systematic results indicate that compounds 3a-3h have intramolecular charge transfer (ICT), aggregation-induced emission (AIE), and dual-state emission (DSE) effects with a wide range of fluorescence emission wavelengths (421-618 nm), showing the potential to be developed into a full-color fluorophore.
View Article and Find Full Text PDFChem Sci
August 2025
Department of Applied Biology and Chemical Technology, The Hong Kong Polytechnic University Hung Hom Hong Kong China
The development of high-performance near-ultraviolet organic light-emitting diodes (NUV-OLEDs) remains challenging due to their intrinsic wide-bandgap characteristics. Therefore, this study fully exploits the weak electron-accepting characteristics of the PPI group, combined with its high photoluminescence quantum yield (PLQY) and excellent thermal stability. Through a precise molecular structure modulation strategy involving direct introduction of electron-donating diphenylamine groups into the side phenyl ring and systematic integration of donor/acceptor units with tailored electronic properties into the main backbone, effective control of excited-state characteristics and their spatial distribution was successfully achieved.
View Article and Find Full Text PDFJ Phys Chem B
September 2025
CNRS, Bordeaux INP, ISM, UMR 5255, University of Bordeaux, F-33405 Cedex Talence, France.
A computational protocol is developed to evaluate the second- and third-order nonlinear optical (NLO) properties of donor-acceptor benzene derivatives, incorporating ab initio electron correlation, frequency dispersion, and solvent effects, with the aim of achieving high predictive accuracy. The computational scheme encompasses (i) high-level CCSD(T) calculations of the static first (β) and second (γ) hyperpolarizabilities, (ii) the assessment of the performance of the CAM-B3LYP and M06-2X exchange-correlation DFT functionals to evaluate β and γ values, (iii) the use, after assessment of its effectiveness, of the multiplicative scheme to evaluate second harmonic generation responses, (iv) the evaluation of the frequency dispersion factors on β and γ by using Bishop's frequency-dispersion polynomials, and their use, in combination with the multiplicative correction scheme, to evaluate third harmonic generation second hyperpolarizabilities. This hybrid approach is shown to closely reproduce the experimental trends, although systematic quantitative deviations still remain with respect to experimental values.
View Article and Find Full Text PDFChem Commun (Camb)
September 2025
Longzihu New Energy Laboratory, Zhengzhou Institute of Emerging Industrial Technology, Henan University, Zhengzhou 450000, China.
We synthesized two linear dopant-free hole transport materials (HTMs), denoted as NT and iNT, by coupling methoxytriphenylamine donor unit with either naphtho[1,2-:5,6-']bis[1,2,5]thiadiazole or its isomeric counterparts naphtho[1,2-:5,6-']bis([1,2,3]thiadiazole) as acceptor units. The fused-ring isomerization structure of iNT endows it with a substantial dipole moment and well-aligned energy levels, which are highly favorable for efficient free-charge extraction. Compared to devices based on NT, CsPbI inorganic perovskite solar cells (IPSCs) employing iNT exhibited significantly enhanced performance, achieving a power conversion efficiency (PCE) of 18.
View Article and Find Full Text PDFFood Chem
August 2025
Department of Chemistry, Faculty of Engineering, İstanbul University-Cerrahpaşa, 34320 Avcılar, İstanbul, Turkey; Turkish Academy of Sciences (TUBA), Bayraktar Neighborhood, Vedat Dalokay St. No: 112, 06690 Çankaya, Ankara, Turkey. Electronic address:
An innovative fluorometric method has been developed to detect nitric oxide radicals (•NO) and NO-scavenging activity of antioxidants. Nitric oxide radicals were generated from the precursor sodium nitroprusside (SNP), and gold nanoparticles modified with a thiolate ligand (4-hydroxythiophenol) (AuNPs@4-HTP) was designed as the detector probe; addition of •NO to the thiophenol ring of AuNPs@4-HTP was followed by autoxidation of the NO-substituent to -NO which in turn interacted with the fluorophore N-(1-naphthyl)ethylenediamine (NEDa) as a Lewis acceptor-donor pair. As a result of the interaction of nitrated AuNPs@4-HTP with the amine groups of NEDa, the fluorescence of NEDa was quenched.
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