Green-solvent-processed all-polymer solar cells (AP-SCs) are regarded as an excellent candidate for renewable energy due to their better stability and eco-friendly features. Two polymers, PYF-U and PYF-BO, have been designed by introducing a Y-series derivative with difluoro-substituted dicyanindenone units and a difluorobenzotriazole derivative as the first and second electron-deficient (A) units, respectively. The introduction of two additional F atoms on dicyanindenone units leads to a more coplanar backbone because of noncovalent interactions. Compared with the polymer PYF-U with undecyl chains on thiophene, the polymer PYF-BO with 2-butyloctyl chains exhibits stronger intermolecular aggregation during the film-forming process, more dominant face-on molecular packing, and higher crystallinity in films. Therefore, the PM6:PYF-BO AP-SC achieves an efficiency of 15.38%, outperforming that of the PM6:PYF-U device (14.27%). Moreover, the former exhibits a longer T lifetime (1789 h) than the latter (826 h) under thermal aging at 65 °C because of better molecular packing and morphology. Our research demonstrates that combining noncovalent interactions to enhance the coplanarity of the polymeric backbone with side-chain engineering to optimize molecular packing and blend-film morphology is one of the efficient strategies for developing high-performance polymer acceptors.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1021/acsami.5c02172 | DOI Listing |
ACS Appl Mater Interfaces
March 2025
Key Laboratory of Environmentally Friendly Chemistry and Application of Ministry of Education, College of Chemistry, Xiangtan University, Xiangtan 411105, China.
Green-solvent-processed all-polymer solar cells (AP-SCs) are regarded as an excellent candidate for renewable energy due to their better stability and eco-friendly features. Two polymers, PYF-U and PYF-BO, have been designed by introducing a Y-series derivative with difluoro-substituted dicyanindenone units and a difluorobenzotriazole derivative as the first and second electron-deficient (A) units, respectively. The introduction of two additional F atoms on dicyanindenone units leads to a more coplanar backbone because of noncovalent interactions.
View Article and Find Full Text PDFActa Crystallogr C Struct Chem
April 2025
Protein Structure Function Research Laboratory, School of Molecular and Cell Biology, University of the Witwatersrand, Johannesburg 2050, South Africa.
Three multicomponent systems, namely, 2,4-diamino-6-phenyl-1,3,5-triazine-nicotinic acid (DAPT-NA), CHN·CHNO, (I), 2,4-diamino-6-phenyl-1,3,5-triazin-1-ium hydrogen malonate (DAPT-MMA), CHN·CHO, (II), and 2,4-diamino-6-phenyl-1,3,5-triazin-1-ium hydrogen (+)-dibenzoyl-D-tartarate (DAPT-DBTA), CHN·CHO, (III), have been synthesized and characterized via single-crystal X-ray diffraction, and their supramolecular interactions have been analysed. The formation of cocrystal (I) and salts (II) and (III) was confirmed through the widening of the C-N-C bond angle of the triazine moiety of 2,4-diamino-6-phenyl-1,3,5-triazine and the difference in the C-O bond distances between the carboxyl and carboxylate groups of the respective carboxylic acids. Cocrystal (I) and salt (II) form robust homomeric and heteromeric R(8) ring motifs through primary acid-base interactions and complementary base pairing.
View Article and Find Full Text PDFJ Chem Phys
March 2025
N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 Leninsky prosp., Moscow 119991, Russian Federation.
Accurate prediction of polymer properties using molecular dynamics (MD) simulations requires a properly relaxed starting structure. Polymer models built from scratch by specialized algorithms (self-avoiding random walk, Monte Carlo, etc.) are far from relaxed and, moreover, often possess a large number of structural defects: close contacts between atoms, wrong bond distances, voids, unfavorable molecular conformations or packing, etc.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
March 2025
Department of Chemistry, Bahir Dar University, PO Box 79, Bahir Dar, Ethiopia.
The asymmetric unit of the title salt, CHFNSe·Cl, contains one planar 4-fluoro-benzo[][1,2,5]selena-diazol-1-ium mol-ecular cation and a chloride anion. In the crystal, inter-molecular N-H⋯Cl hydrogen bonds link the 4-fluoro-benzo[][1,2,5]selena-diazol-1-ium mol-ecules, which are arranged in parallel layers along (104), to the chloride anions. The cationic layers, in turn, are stacked along [001].
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
March 2025
Department of PG Studies and Research in Physics Albert Einstein Block UCS Tumkur University, Tumkur Karnataka-572103 India.
The title compound, CHNO, was synthesized by S2 reaction of bromo-methyl coumarin with 4,4-di-methyl-piperidine-2,6-dione. The mol-ecule crystalizes in the monoclinic system with space group 2/. The coumarin unit is almost planar with a dihedral angle between the aromatic rings of 0.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!