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Effects of coexisting goethite or lepidocrocite on Fe(II)-induced ferrihydrite transformation pathways and Cd speciation.
Sci Total Environ
January 2025
School of Environment and Energy, South China University of Technology, Guangzhou 510006, China.
The efficacy of ferrihydrite in remediating Cd-contaminated soil is tightly regulated by Fe(II)-induced mineralogical transformations. Despite the common coexistence of iron minerals such as goethite and lepidocrocite, which can act as templates for secondary mineral formation, the impact of these minerals on Fe(II)-induced ferrihydrite transformation and the associated Cd fate have yet to be elucidated. Herein, we investigated the simultaneous evolution of secondary minerals and Cd speciation during Fe(II)-induced ferrihydrite transformation in the presence of goethite versus lepidocrocite.
View Article and Find Full Text PDFTwo-electron two-nucleus effective Hamiltonian and the spin diffusion barrier.
Sci Adv
January 2025
Institute of Molecular Physical Science, ETH Zurich, 8093 Zurich, Switzerland.
Article Synopsis
- Dynamic nuclear polarization (DNP) and quantum technologies utilize the spin transfer in electron-nuclear quantum systems, but larger couplings like hyperfine interactions can hinder these processes.
- The Schrieffer-Wolff transformation is applied to analyze a system of two electrons and two nuclei, focusing on polarization-transfer methods, including an energy-conserving electron-nuclear four-spin flip-flop.
- The study connects magnetic resonance and quantum information, demonstrating a model where all nuclear spins can aid in hyperpolarization without being impeded by a spin diffusion barrier in DNP.
A General and Transferable Local Hybrid Functional for Electronic Structure Theory and Many-Fermion Approaches.
J Chem Theory Comput
December 2024
Otto Schott Institute of Materials Research, Friedrich Schiller University Jena, Löbdergraben 32, 07743 Jena, Germany.
Density functional theory has become the workhorse of quantum physics, chemistry, and materials science. Within these fields, a broad range of applications needs to be covered. These applications range from solids to molecular systems, from organic to inorganic chemistry, or even from electrons to other Fermions, such as protons or muons.
View Article and Find Full Text PDFAnalysis of polaron pair lifetime dynamics and secondary processes in exciplex driven TADF OLEDs using organic magnetic field effects.
Sci Rep
December 2024
Semiconductor Physics, Institute of Physics, Chemnitz University of Technology, 09126, Chemnitz, Germany.
Magnetic field effects (MFEs) in thermally activated delayed fluorescence (TADF) materials have been shown to influence the reverse intersystem crossing (RISC) and to impact on electroluminescence (EL) and conductivity. Here, we present a novel model combining Cole-Cole and Lorentzian functions to describe low and high magnetic field effects originating from hyperfine coupling, the Δg mechanism, and triplet processes. We applied this approach to organic light-emitting devices of third generation based on tris(4-carbazoyl-9-ylphenyl)amine (TCTA) and 2,2',2″-(1,3,5-benzinetriyl)-tris(1-phenyl-1-H-benzimidazole) (TPBi), exhibiting blue emission, to unravel their loss mechanisms.
View Article and Find Full Text PDFSpectroscopic characterization of buffer-gas-cooled lead monofluoride molecules in the BΣ(υ' = 0) ← XΠ(υ = 0) transition.
Spectrochim Acta A Mol Biomol Spectrosc
November 2024
State Key Laboratory of Precision Spectroscopy, East China Normal University, Shanghai 200062, PR China; Xinjiang Astronomical Observatory, Chinese Academy of Sciences, 150 Science 1 - Street, Urumqi, Xinjiang 830011, PR China; Collaborative Innovation Center of Extreme Optics, Shanxi University, Taiyuan, Shanxi 030006, PR China. Electronic address:
Establishing a nonzero measurement of the electron Electric Dipole Moment (eEDM) has long been a fundamental pursuit in atomic, molecular and optical physics, offering possible insights into new physics beyond the Standard Model. In this regard, lead monofluoride (PbF) has emerged as a potential candidate for measuring eEDM primarily due to its suitable properties such as the strong internal effective electric field, and eEDM-sensitive ground state with large Ω-doubling and small magnetic g factor. In the present work, we realized the production of a buffer-gas-cooled PbF molecular beam and characterized its high-resolution spectroscopy in the BΣ(υ'=0) ← XΠ(υ = 0) transition, including both direct absorption and laser-induced fluorescence spectroscopy.
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