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Ultrafast Charge Carrier Dynamics in Vanadium Dioxide, VO: Nonequilibrium Contributions to the Photoinduced Phase Transitions.
J Phys Chem Lett
January 2025
Department of Mechanical and Aerospace Engineering, University of Virginia, Charlottesville, Virginia 22904, United States.
Vanadium oxide (VO) is an exotic phase-change material with diverse applications ranging from thermochromic smart windows to thermal sensors, neuromorphic computing, and tunable metasurfaces. Nonetheless, the mechanism responsible for its metal-insulator phase transition remains a subject of vigorous debate. Here, we investigate the ultrafast dynamics of the photoinduced phase transition in VO under low perturbation conditions.
View Article and Find Full Text PDFCore-Excited States for Open-Shell Systems in Similarity-Transformed Equation-of-Motion Theory.
J Chem Theory Comput
January 2025
Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany.
X-ray absorption spectroscopy (XAS) is a powerful method for exploring molecular electronic structure by exciting core electrons into higher unoccupied molecular orbitals. In this study, we present the first integration of the spin-unrestricted similarity-transformed equation-of-motion coupled cluster method (CVS-USTEOM-CCSD) for core-excited and core-ionized states into the ORCA quantum chemistry package. Using the core-valence separation (CVS) approach, we evaluate the accuracy of CVS-USTEOM-CCSD across 13 open-shell organic systems, covering over 20 core excitations with diverse spin multiplicities (doublet, triplet, and quartet).
View Article and Find Full Text PDFIntensive and Persistent Chemiluminescence from Orderly Arranged Ligands within Metal-Organic Frameworks for Inflammation Imaging.
Inorg Chem
January 2025
School of Clinical Medical, Hangzhou Medical College, Hangzhou 310053, China.
Chemiluminescence offers ultrasensitive imaging for the diagnosis of a variety of diseases by removing the interference from excitation light sources. Here, we prepared two chemiluminescent metal-organic frameworks (Mn-ADA and Zn-ADA) by using (2,2')-3,3'-(anthracene-9,10-diyl)diacrylic acid (ADA) as a ligand. In Mn-ADA and Zn-ADA, the Mn atoms and Zn atoms are six-coordinated and eight-coordinated, respectively, and their frameworks are different in spatial structure.
View Article and Find Full Text PDFPaired Photoproduction of H2O2 and 3,4-Dihydroisoquinoline over Covalent Pyrene-(Thio)urea Frameworks with Electron Push-Pull Effect.
Angew Chem Int Ed Engl
January 2025
Shanghai Institute of Ceramics Chinese Academy of Sciences, State Key Laboratory of High Performance Ceramics and Superfine Microstructure, CHINA.
Pairing photocatalytic 1,2,3,4-tetrahydroisoquinoline semi-dehydrogenation reaction (THIQ-SDR) with two-electron oxygen reduction reaction (2e- ORR) is a green solar to chemical strategy by simultaneously utilizing the photo-excited electrons and holes. However, it is still short of high-efficiency photocatalyst to drive two reactions above. In the present work, crystalline pyrene-thiourea/urea covalent organic frameworks (COF-Py-S and -O) were synthesized and demonstrated as high-performance metal-free photocatalysts.
View Article and Find Full Text PDFMulti scale multi attention network for blood vessel segmentation in fundus images.
Sci Rep
January 2025
Department of Data Science and Artificial Intelligence, Sunway University, 47500, Petaling Jaya, Selangor Darul Ehsan, Malaysia.
Precise segmentation of retinal vasculature is crucial for the early detection, diagnosis, and treatment of vision-threatening ailments. However, this task is challenging due to limited contextual information, variations in vessel thicknesses, the complexity of vessel structures, and the potential for confusion with lesions. In this paper, we introduce a novel approach, the MSMA Net model, which overcomes these challenges by replacing traditional convolution blocks and skip connections with an improved multi-scale squeeze and excitation block (MSSE Block) and Bottleneck residual paths (B-Res paths) with spatial attention blocks (SAB).
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