Reaching emissive nanomaterials at short wavelengths with a high quantum efficiency (QE) is an attractive task for researchers. This is more demanding in carbon dots (CDs) with diverse applications that usually emit photons at wavelengths around 450-620 nm. In this study, deep blue-emissive doped-CDs (d-CDs) with high photoluminescence (PL) QE up to 62% and excitation-independent properties were prepared via a short-time microwave irradiation method. The prepared CDs showed simultaneous amorphous and crystalline features, with average sizes of 4.75 nm and bright emission color located at 422 nm. It was found that the presence of sulfur-related dopant levels plays a key role in emission properties in such a way that the PL signal drops significantly in the absence of N-acetyl-l-cysteine (NAC) as a dopant source. On the other hand, the trisodium citrate dihydrate (TSC) was selected as a carbon source to form the main carbon skeleton without it no emission was recorded. Monoexponential-fitted recombination trend with an average lifetime of about 10 ns also confirmed excellent PL emission properties with uniform energy levels and minimized defect-contributing recombinations. The practical use of the as-prepared N, S-doped CDs was assessed in fingerprint detection indicating a bright and clear scheme for both core and termination regions of the fingerprint. Simplicity, cost-effectiveness, high-product yield, low toxicity, along with high/stable PL quantum efficiency in deep-blue wavelengths, and demonstrated ability for fingerprint purposes, support the prospective application of these dual doped-CDs for sensing and bioimaging applications.
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http://dx.doi.org/10.1088/1361-6528/ac7c27 | DOI Listing |
J Chem Theory Comput
January 2025
Department of Chemistry and Biochemistry, The University of Arizona, Tucson, Arizona 85721-0041, United States.
Accurately calculating the diradical character () of molecular systems remains a significant challenge due to the scarcity of experimental data and the inherent multireference nature of the electronic structure. In this study, various quantum mechanical approaches, including broken symmetry density functional theory (BS-DFT), spin-flip time-dependent density functional theory (SF-TDDFT), mixed-reference spin-flip time-dependent density functional theory (MRSF-TDDFT), complete active space self-consistent field (CASSCF), complete active space second-order perturbation theory (CASPT2), and multiconfigurational pair-density functional theory (MCPDFT), are employed to compute the singlet-triplet energy gaps () and values in Thiele, Chichibabin, and Müller analogous diradicals. By systematically comparing the results from these computational methods, we identify optimally tuned long-range corrected functional CAM-B3LYP in the BS-DFT framework as a most efficient method for accurately and affordably predicting both and values.
View Article and Find Full Text PDFInorg Chem
January 2025
State Key Laboratory of Environment-friendly Energy Materials, School of National Defence Science & Technology, Nuclear Waste and Environmental Safety Key Laboratory of Defense, Southwest University of Science and Technology, Mianyang, Sichuan 621010, P. R. China.
Electrochemical uranium extraction from seawater is a vital project for the sustainable development of the nuclear industry, which requires selective intrinsic binding sites for uranyl. In this work, oxygen vacancies (O vacancies) were developed as an atomically identified confinement for uranyl, and thus, rapid uranium extraction from seawater was achieved. In a short period of 700 s, InO nanosheets with rich O vacancies (V-rich InO nanosheets) exhibited a high extraction efficiency of 88.
View Article and Find Full Text PDFChem Sci
January 2025
Shenzhen Key Laboratory of New Information Display and Storage Materials, College of Materials Science and Engineering, Shenzhen University Shenzhen 518060 P. R. China
Developing highly efficient deep-blue multi-resonance thermal activated delayed fluorescence (MR-TADF) materials for ultra-high-definition organic light-emitting diodes (OLEDs) displays that meet the stringent BT.2020 standard remains a significant challenge. In this study, we present a strategy to achieve high-performance deep-blue MR-TADF emitters by integrating a large π-conjugated double-boron-embedded MR skeleton with strategically positioned peripheral steric hindrance groups.
View Article and Find Full Text PDFSci Rep
January 2025
LCEA Laboratory, Faculty of Sciences, Mohammed Premier University, Oujda, Morocco.
In the current investigation, the efficiency inhibition of two newly synthesized bi-pyrazole derivatives, namely 2,3-bis[(bis((1 H-pyrazol-1-yl) methyl) amino)] pyridine (Tetra-Pz-Ortho) and 1,4-bis[(bis((1 H-pyrazol-1-yl) methyl) amino)] benzene (Tetra-Pz-Para) for corrosion of carbon steel (C&S) in 1 M HCl medium was evaluated. A Comparative study of inhibitor effect of Tetra-Pz-Ortho and Tetra-Pz-Para was conducted first using weight loss method and EIS (Electrochemical Impedance Spectroscopy) and PDP (Potentiodynamic Polarisation) techniques. Tetra-Pz-Ortho and Tetra-Pz-Para had a maximum inhibition efficacy of 97.
View Article and Find Full Text PDFCommun Eng
January 2025
THz-Photonics Group, Technische Universität Braunschweig, Braunschweig, Germany.
New applications such as the Internet of Things, autonomous driving, Industry X.0 and many more will transmit sensitive information via fibers and over the air with envisioned data rates beyond terabits per second. Therefore, the encryption has to be simple, fast and spectrally efficient, so that the power consumption and latency are low and the scarce bandwidth is not wasted.
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