Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8736426 | PMC |
Publication Analysis
Top Keywords
Similar Publications
Electron-phonon coupling and coherent energy superposition induce spin-sensitive orbital degeneracy for enhanced acidic water oxidation.
Nat Commun
January 2025
Institute of Biomedical Engineering, College of Life Sciences, Qingdao University, Qingdao, China.
The development of acid-stable water oxidation electrocatalysts is crucial for high-performance energy conversion devices. Different from traditional nanostructuring, here we employ an innovative microwave-mediated electron-phonon coupling technique to assemble specific Ru atomic patterns (instead of random Ru-particle depositions) on MnCrO surfaces (Ru-MnCrO) in RuCl solution because hydrated Ru-ion complexes can be uniformly activated to replace some Mn sites at nearby Cr-dopants through microwave-triggered energy coherent superposition with molecular rotations and collisions. This selective rearrangement in Ru-MnCrO with particular spin-differentiated polarizations can induce localized spin domain inversion from reversed to parallel direction, which makes Ru-MnCrO demonstrate a high current density of 1.
View Article and Find Full Text PDFDirac-vortex cavities have single-mode emitting, scalable mode areas, arbitrary mode degeneracies, and vector-beam vertical emission, which attract more and more researchers' attention. Here, we demonstrate the single-mode of two-dimensional transverse magnetic (TM) Dirac-vortex topological cavity modes that are not only generally available for high power topological surface-emitting lasers (TCSEL) but also are one of the excellent candidates for refractive index sensors. The principle for winding number is studied, and the scaling laws are shown with cavity mode diameters.
View Article and Find Full Text PDFMulticonfigurational short-range on-top pair-density functional theory.
J Chem Phys
January 2025
Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, DK-5230 Odense M, Denmark.
We present the theory and implementation of a fully variational wave function-density functional theory (DFT) hybrid model, which is applicable to many cases of strong correlation. We denote this model as the multiconfigurational self-consistent on-top pair-density functional theory (MC-srPDFT) model. We have previously shown how the multiconfigurational short-range DFT (MC-srDFT) hybrid model can describe many multiconfigurational cases of any spin symmetry and also state-specific calculations on excited states [Hedegård et al.
View Article and Find Full Text PDFChemical Origins of Optically Addressable Spin States in Eu(PS) and Eu(PSe).
ACS Mater Au
January 2025
Department of Chemistry, Clemson University, Clemson, South Carolina 29634, United States.
Lanthanide materials with a 4f electron configuration (S) offer an exciting system for realizing multiple addressable spin states for qubit design. While the S ground state of 4f free ions displays an isotropic character, breaking degeneracy of this ground state and excited states can be achieved through local symmetry of the lanthanide and the choice of ligands. This makes Eu attractive as it mirrors Gd in exhibiting the S ground state, capable of seven spin-allowed transitions.
View Article and Find Full Text PDFIn recent years, advances in artificial intelligence (AI) have transformed structural biology, particularly protein structure prediction. Though AI-based methods, such as AlphaFold (AF), often predict single conformations of proteins with high accuracy and confidence, predictions of alternative folds are often inaccurate, low-confidence, or simply not predicted at all. Here, we review three blind spots that alternative conformations reveal about AF-based protein structure prediction.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!