Embedding a WS monolayer in flakes of hexagonal boron nitride allowed us to resolve and study the photoluminescence response due to both singlet and triplet states of negatively charged excitons (trions) in this atomically thin semiconductor. The energy separation between the singlet and triplet states has been found to be relatively small reflecting rather weak effects of the electron-electron exchange interaction for the trion triplet in a WS monolayer, which involves two electrons with the same spin but from different valleys. Polarization-resolved experiments demonstrate that the helicity of the excitation light is better preserved in the emission spectrum of the triplet trion than in that of the singlet trion. Finally, the singlet (intravalley) trions are found to be observable even at ambient conditions whereas the emission due to the triplet (intervalley) trions is only efficient at low temperatures.
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http://dx.doi.org/10.1088/1361-6528/aac65c | DOI Listing |
Photochem Photobiol
January 2025
Departamento de Bioquímica, Facultad de Ciencias Naturales, Exactas y Tecnología, Universidad de Panamá, Panamá, Republic of Panama.
Toluidine blue O (TBO) is a type I-type II photosensitizer that has shown good efficacy and selectivity in antimicrobial and anticancer photodynamic therapy applications. However, its complex photochemistry with multiple photoproducts hinders its application as a photosensitizer. We have previously described the mechanism for photooxidative demethylation of TBO which in acetonitrile yields two main products: demethylated-TBO (d-TBO) and double-demethylated-TBO (dd-TBO).
View Article and Find Full Text PDFJ Comput Chem
January 2025
Departamento de Química, Instituto Tecnológico de Aeronáutica, São José dos Campos, Brazil.
In this work, the stability, aromaticity and radical character of pristine and eleven BN-doped armchair 5 and zigzag 5, 6, and 7 periacenes, were chosen for studying the effect of different doping schemes to stabilize the periacene, and to direct the open-shell density into specific regions of the PAH sheets. Ab initio multireference methods and different DFT functionals were used to analyze the singlet triplet (ST) energy. Moreover, a range of descriptors were used to characterize the open-shell character and aromaticity of the different doped structures.
View Article and Find Full Text PDFChemphyschem
January 2025
Institute of Molecular Science Marseille, Département de chimie, FRANCE.
Electron delocalization is studied in the ground singlet and first excited triplet states of azulene-containing helicenes. After showing that the compounds we study can be synthesized, we show that they exhibit a charge separation in the ground state, which does not appear in their triplet excited state. Then, magnetically induced properties (IMS3D and ACID) and electron density decomposition methods (EDDB) are used to rationalize aromaticity in these systems.
View Article and Find Full Text PDFPhotochem Photobiol
January 2025
Institute of Physiologically Active Compounds at Federal Research Center of Problems of Chemical Physics and Medicinal Chemistry, Russian Academy of Sciences (IPAC RAS), Chernogolovka, Russia.
Recently (Photochem Photobiol. 2023;100:1277-1289. doi:10.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Philipps-Universität Marburg, Fachbereich Chemie, Hans-Meerwein-Str. 4, 35032 Marburg, Germany.
Acenes are an important class of polycyclic aromatic hydrocarbons that have gained considerable attention from chemists, physicists, and material scientists, due to their exceptional potential for organic electronics. They serve as an ideal platform for studying the physical and chemical properties of sp carbon frameworks in the one-dimensional limit and also provide a fertile playground to explore magnetism in graphenic nanostructures due to their zigzag edge topology. While higher acenes up to tridecacene have been successfully generated by means of on-surface synthesis, it is imperative to extend their synthesis toward even longer homologues to comprehensively understand the evolution of their electronic ground state.
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