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| http://dx.doi.org/10.1073/pnas.48.11.1877 | DOI Listing |
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Ferromagnetic Fe-TiO spin catalysts for enhanced ammonia electrosynthesis.
Nat Commun
January 2025
Key Laboratory of Luminescence and Optical Information, Ministry of Education, School of Physical Science and Engineering, Beijing Jiaotong University, Beijing, 100044, China.
Magnetic field effects (MFE) of ferromagnetic spin electrocatalysts have attracted significant attention due to their potential to enhance catalytic activity under an external magnetic field. However, no ferromagnetic spin catalysts have demonstrated MFE in the electrocatalytic reduction of nitrate for ammonia (NORR), a pioneering approach towards NH production involving the conversion from diamagnetic NO to paramagnetic NO. Here, we report the ferromagnetic Fe-TiO to investigate MFE on NORR.
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 PDFInsights into Chemical and Structural Order at Planar Defects in PbMgWO Using Multislice Electron Ptychography.
ACS Nano
January 2025
Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.
Switchable order parameters in ferroic materials are essential for functional electronic devices, yet disruptions of the ordering can take the form of planar boundaries or defects that exhibit distinct properties from the bulk, such as electrical (polar) or magnetic (spin) response. Characterizing the structure of these boundaries is challenging due to their confined size and three-dimensional (3D) nature. Here, a chemical antiphase boundary in the highly ordered double perovskite PbMgWO is investigated using multislice electron ptychography.
View Article and Find Full Text PDFCorrelated spin-wave generation and domain-wall oscillation in a topologically textured magnetic film.
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Condensed Matter Physics and Materials Science Division, Brookhaven National Laboratory, Upton, NY, USA.
Spin waves, or magnons, are essential for next-generation energy-efficient spintronics and magnonics. Yet, visualizing spin-wave dynamics at nanoscale and microwave frequencies remains a formidable challenge due to the lack of spin-sensitive, time-resolved microscopy. Here we report a breakthrough in imaging dipole-exchange spin waves in a ferromagnetic film owing to the development of laser-free ultrafast Lorentz electron microscopy, which is equipped with a microwave-mediated electron pulser for high spatiotemporal resolution.
View Article and Find Full Text PDFSupramolecular dyads as photogenerated qubit candidates.
Nat Chem
January 2025
SAMS Research Group, Université de Strasbourg, CNRS, Institut Charles Sadron UPR 22, Strasbourg, France.
Molecular spin qubits have the advantages of synthetic flexibility and amenability to be tailored to specific applications. Among them, chromophore-radical systems have emerged as appealing qubit candidates. These systems can be initiated by light to form triplet-radical pairs that can result in the formation of quartet states by spin mixing.
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