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We report here the synthesis of a new - (-) singly linked vanadyl-porphyrin dimer that crystallizes in two different pseudo-polymorphs. The single crystal continuous-wave electron paramagnetic resonance investigation evidences a small but crucial isotropic exchange interaction, , between the two tilted, and thus distinguishable, spin centers of the order of 10 cm. The experimental and DFT studies evidence a correlation between values and porphyrin plane tilting angle and distortion. Pulsed EPR analysis shows that the two vanadyl dimers maintain the coherence time of the monomer. With the obtained spin Hamiltonian parameters, we identify suitable transitions that could be used as computational basis states. Our results, coupled with the evaporability of porphyrin systems, establish this class of dimers as extremely promising for quantum information processing applications.
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http://dx.doi.org/10.1039/d2sc04969d | DOI Listing |
Angew Chem Int Ed Engl
September 2025
State Key Laboratory of Luminescent Materials and Devices, Guangdong Provincial Key Laboratory of Luminescence from Molecular Aggregates, South China University of Technology, Guangzhou, 510640, China.
Reverse intersystem crossing (RISC) process is critical for thermally activated delayed fluorescence (TADF) materials to realize spin-flip of triplet excitons in organic light-emitting diodes (OLEDs), but the RISC processes of most TADF materials are not fast enough, undermining electroluminescence (EL) efficiency stability and operational lifetime. Herein, a symmetry breaking strategy to accelerate RISC processes is proposed. By designing asymmetric electron-withdrawing backbone consisting of benzonitrile and xanthone/thioxanthone groups, two new asymmetric TADF molecules, 4tCzCN-pXT and 4tCzCN-pTXT, with multiple 3,6-di-tert-butylcarbazole donors are successfully developed.
View Article and Find Full Text PDFNano Lett
September 2025
School of Materials Science and Engineering, Peking University, Beijing 100871, People's Republic of China.
High-density mirror twin boundaries (MTBs) embedded in two-dimensional (2D) transition metal dichalcogenides (TMDCs) have emerged as fascinating platforms for exploring charge density wave and Tomonaga-Luttinger liquid-related issues. However, the reversible manipulation of high-density MTBs in 2D TMDCs remains challenging. Herein, we report the first fabrication of high-density MTB loops in ultrathin 1T-NiTe on the SrTiO(001) substrate, by postannealing as-grown 1T-NiTe under Te-deficient conditions.
View Article and Find Full Text PDFJ Phys Chem A
September 2025
Dipartimento di Scienze Fisiche e Chimiche, Università degli Studi dell'Aquila, Coppito, L'Aquila 67100, Italy.
In recent years Quantum Computing prominently entered in the field of Computational Chemistry, importing and transforming computational methods and ideas originally developed within other disciplines, such as Physics, Mathematics and Computer Science into algorithms able to estimate quantum properties of atoms and molecules on present and future quantum devices. An important role in this contamination process is attributed to Quantum Information techniques, having the 2-fold role of contributing to the analysis of electron correlation and entanglements and guiding the construction of wave function variational ansatzes for the Variational Quantum Eigensolver technique. This paper introduces the tool SparQ (Sparse Quantum state analysis), designed to efficiently compute fundamental quantum information theory observables on post-Hartree-Fock wave functions sparse in their definition space.
View Article and Find Full Text PDFDiscov Nano
September 2025
Department of Rehabilitation Medicine, Rehabilitation Medical Center, Key Laboratory of Rehabilitation Medicine in Sichuan Province, West China Hospital, Sichuan University, Chengdu, 610041, People's Republic of China.
Immunoelectron Microscopy (IEM) is a technique that combines specific immunolabeling with high-resolution electron microscopic imaging to achieve precise spatial localization of biomolecules at the subcellular scale (< 10 nm) by using high-electron-density markers such as colloidal gold and quantum dots. As a core tool for analyzing the distribution of proteins, organelle interactions, and localization of disease pathology markers, it has irreplaceable value, especially in synapse research, pathogen-host interaction mechanism, and tumor microenvironment analysis. According to the differences in labeling sequence and sample processing, the IEM technology system can be divided into two categories: the first is pre-embedding labeling, which optimizes the labeling efficiency through the pre-exposure of antigenic epitopes and is especially suitable for the detection of low-abundance and sensitive antigens; the second is post-embedding labeling, which relies on the low-temperature resin embedding (e.
View Article and Find Full Text PDFACS Appl Mater Interfaces
September 2025
Chemical and Biological Engineering, University of Ottawa, 161 Louis Pasteur, Ottawa, Ontario K1N 6N5, Canada.
The processes of thermoforming 2D-printed electronics into 3D structures can introduce defects that impact the electrical performance of conductors, making them more susceptible to thermal failure during high electrical power/current applications on temperature-sensitive substrates. We therefore report the use of a thin-film boron nitride nanotube (BNNT) interlayer to directly reduce heat stress on linear and serpentine metallic traces on polycarbonate substrates thermoformed to 3D spherocylindrical geometries at varying elongation percentages. We demonstrate that the BNNT interlayer helps to improve the electrical conductivity of highly elongated thermoformed 3D traces in comparison to traces on bare polycarbonate.
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