Extended bis(donor)-substituted squaraine chromophores exhibit very high two-photon cross-sections (as high as 33 000 GM) in the near-IR; these can be attributed to the combination of large transition dipoles with small detuning energies. The modulus of the third-order nonlinear optical susceptibility at 1.3 mum has been found to be 7.0 x 10-11 esu for one of these chromophores.
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November 2024
Eco-Materials and Renewable Energy Research Center (ERERC), National Laboratory of Solid State Microstructures, Kunshan Innovation Institute of Nanjing University, Jiangsu Key Laboratory for Nanotechnology, Nanjing University, Nanjing, 210093, P. R. China.
Inspired by the excellent photocatalytic activity of TiO, titanium metal-organic frameworks (Ti-MOFs) with broad absorption of visible light are regarded as promising photocatalysts, but carboxylate-linkers used in them are mainly limited to the large extended π-electron systems. Developing Ti-MOFs using organic linkers with a donor-acceptor-donor (D-A-D) structure is expected to improve their charge separation but is still challenging. Herein the design of two new isoreticular Ti-MOFs, Ti-SQ1 and Ti-SQ2 are reported, by using squaraines bearing different electron donors as organic linkers.
View Article and Find Full Text PDFIn this study, we designed squaraine-based dyes with a 2-amino pyrrole donor unit and acene groups like anthracene and pentacene. These dyes incorporate three different electron-withdrawing groups - cyanoacrylate (A1), phosphonate (A2) and boronic acid (A3) - as linkers to the TiO semiconductor. The spectroscopic, electronic and photochemical properties of these compounds were investigated using density functional theory (DFT) and time-dependent density functional theory (TDDFT) simulations.
View Article and Find Full Text PDFJ Chem Phys
December 2023
Institut für Physikalische und Theoretische Chemie, Universität Würzburg, Emil-Fischer Str. 42, 97074 Würzburg, Germany.
Spontaneous emission and internal conversion rates are calculated within harmonic approximations and compared to the results obtained within the semi-classical extended thawed Gaussian approximation (ETGA). This is the first application of the ETGA in the calculation of internal conversion and emission rates for real molecular systems, namely, formaldehyde, fluorobenzene, azulene, and a dicyano-squaraine dye. The viability of the models as black-box tools for prediction of spontaneous emission and internal conversion rates is assessed.
View Article and Find Full Text PDFACS Appl Mater Interfaces
February 2023
Microelectronics Research Unit, Faculty of Information Technology and Electrical Engineering, University of Oulu, P.O. Box 4500, FIN-90014Oulu, Finland.
Cost-effective and high-performance HS sensors are required for human health and environmental monitoring. 2D transition-metal carbides and nitrides (MXenes) are appealing candidates for gas sensing due to good conductivity and abundant surface functional groups but have been studied primarily for detecting NH and VOCs, with generally positive responses that are not highly selective to the target gases. Here, we report on a negative response of pristine TiCT thin films for HS gas sensing (in contrast to the other tested gases) and further optimization of the sensor performance using a composite of TiCT flakes and conjugated polymers (poly[3,6-diamino-10-methylacridinium chloride--3,6-diaminoacridine-squaraine], PDS-Cl) with polar charged nitrogen.
View Article and Find Full Text PDFChem Sci
October 2022
National & Local Joint Engineering Laboratory for Synthesis Technology of High Performance Polymer, Key Laboratory of High Performance Plastics, Ministry of Education, College of Chemistry, Jilin University Qianjin Street 2699 Changchun 130012 P. R. China
All-organic symmetric lithium-ion batteries (LIBs) show promising prospects in sustainable energy storage systems, due to their environmental friendliness, structural diversity and low cost. Nevertheless, it remains a great challenge to explore suitable electrode materials and achieve excellent battery performance for all-organic symmetric LIBs. Herein, a squaraine-anthraquinone polymer (PSQ) electrode material was designed through rational molecular engineering.
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