1,225 research outputs found
Single-component organic solar cells-Perspective on the importance of chemical precision in conjugated block copolymers
No full textThe author(s) declare financial support was received for the research, authorship, and/or publication of this article. The authors acknowledge financial support from Hasselt University, the Research Foundation-Flanders (FWO Vlaanderen; projects W000620N, I006320N, and 1S99620N), and the European Research Council (ERC; grant agreement 864625)
Corrole basicity in the excited states: Insights on structure-property relationships
No full textSteady-state fluorescence measurements and quantum-chemical DFT geometry optimizations are applied to extend the structure-property relationships between the free-base corrole macrocycle conformation and its basicity to the lowest excited S-1 and T-1 states. Direct basicity estimation in the lowest excited S-1 state is demonstrated by means of fluorescence quantum yield measurements. The long wavelength T1 tautomer is found to retain its basicity in the S(1 )state, whereas the short wavelength T2 tautomer shows a noticeable decrease in basicity in the S-1 state, which is related to the in-plane tilting of the pyrrole ring to be protonated. The conformational changes upon going from the ground to the lowest excited T-1 state and the influence of the meso-aryl substitution pattern on the overall degree of distortions and tilting of the pyrrole ring to be protonated are also discussed from the point of view of macrocycle basicity.Prof. W. Maes acknowledges the Research Foundation-Flanders (FWO) and Hasselt University for financial support. Prof. M. Kruk, Prof. L. Gladkov and Ass. Prof. D. Klenitsky acknowledge the State Program of Scientific Researches of the Republic of Belarus "Photonics, opto-and microelectronics", grant no.1.3.01, for financial support.Maes, W (corresponding author), Hasselt Univ, Inst Mat Res IMO IMOMEC, Agoralaan 1, B-3590 Diepenbeek, Belgium.
Kruk, MM (corresponding author), Belarusian State Technol Univ, Phys Dept, Sverdlov Str 13a, Minsk 220006, BELARUS.
[email protected]; [email protected]
Molecular Structure and Conformation of Free Base Corroles
No full textCorroles represent a unique family of tetrapyrrolic chromophores with distinct structural, chemical and photophysical properties, which render them promising materials for numerous applications. The lack of one of the meso-carbon atoms ultimately leads to nonplanar macrocycle distortions. The aim of this review is to summarize the peculiarities of the molecular conformations of free base corroles and provide a unified approach for their analysis.W. Maes acknowledges the Research Foundation - Flanders (FWO) and Hasselt University for financial support. M. Kruk and D. Klenitsky acknowledge the State Program of Scientific Researches of the Republic of Belarus "Photonics, opto- and microelectronics", grant no. 1.3.01 for financial support
Code accompanying the paper: "Predicting the statistical error of analog particle tracing Monte Carlo" by Vince Maes, Ignace Bossuyt, Hannes Vandecasteele, Wouter Dekeyser, Julian Koellermeier, Martine Baelmans and Giovanni Samaey
No full textCode accompanying the paper: "Predicting the statistical error of analog particle tracing Monte Carlo"
by Vince Maes, Ignace Bossuyt, Hannes Vandecasteele, Wouter Dekeyser, Julian Koellermeier, Martine Baelmans and Giovanni Samaey.
Experiments for the paper have been performed in MATLAB R2022b. The zip file contains all the code files needed to perform the numerical experiments described in the paper, as well as additional experiments. The zip file contains a README file with instructions for running the code and for reproducing the figures of the paper
The evolution of the most important research topics in organic and perovskite solar cells research from 2008 to 2017: a bibliometric literature review using bibliographic coupling analysis
No full textConjugated Polymer Nanoparticles for Bioimaging
No full textDuring the last decade, conjugated polymers have emerged as an interesting class of fluorescence imaging probes since they generally show high fluorescence brightness, high photostability, fast emission rates, non-blinking behavior and low cytotoxicity. The main concern related to most conjugated polymers is their lack of hydrophilicity and thereby poor bio-availability. This can, however, be overcome by the formulation of conjugated polymer nanoparticles in aqueous medium. This review provides an overview of the different techniques employed for the preparation of conjugated polymer nanoparticles, together with methods to improve their photoluminescence quantum yields. For selective targeting of specific cells, dedicated surface functionalization protocols have been developed, using different functional groups for ligand immobilization. Finally, conjugated polymer nanoparticles have recently also been employed for theranostic applications, wherein the particles are simultaneously used as fluorescent probes and carriers for anti-tumor drugs
Influence of the molecular structure on the energy of lowest excited electronic singlet and triplet states of the free base corroles
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