The influence of shielding on the Shannon information entropy for atomic states in strong coupled plasma is investigated using the perturbation method and the Ritz variational method. The analytic expressions for the Shannon information entropies of the ground (1) and the first excited states (2) are derived as functions of the ion-sphere radius including the radial and angular parts. It is shown that the entropy change in the atomic state is found to be more significant in the excite state than in the ground state. It is also found that the influence of the localization on the entropy change is more significant for an ion with a higher charge number. The variation of the 1 and 2 Shannon information entropies are discussed.
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http://dx.doi.org/10.3390/e22080881 | DOI Listing |
Adv Mater
January 2025
Department of Materials Science and Engineering, City University of Hong Kong, Hong Kong, SAR, 999077, P. R. China.
Electrochemically converting nitrate (NO ) to value-added ammonia (NH) is a complex process involving an eight-electron transfer and numerous intermediates, presenting a significant challenge for optimization. A multi-elemental synergy strategy to regulate the local electronic structure at the atomic level is proposed, creating a broad adsorption energy landscape in high-entropy alloy (HEA) catalysts. This approach enables optimal adsorption and desorption of various intermediates, effectively overcoming energy-scaling limitations for efficient NH electrosynthesis.
View Article and Find Full Text PDFNat Commun
January 2025
Key Laboratory of Automobile Materials, Ministry of Education, Department of Materials Science and Engineering, Jilin University, 130022, Changchun, China.
Correlating the bond strength with the macro strength of metals is crucial for understanding mechanical properties and designing multi-principal-element alloys (MPEAs). Motivated by the role of grain boundaries in the strength of metals, we introduce a predictive model to determine the grain-boundary energies and strength of metals from the cohesive energy and atomic radius. This scheme originates from the d-band characteristics and broken-bond spirit of tight-binding models, and demonstrates that the repulsive/attractive effects play different roles in the variation of bond strength for different metals.
View Article and Find Full Text PDFAppl Biochem Biotechnol
January 2025
Department of Botany, Maharshi Dayanand University, Rohtak, 124001, India.
Cellulase was effectively immobilized onto an epoxy-bound chitosan-modified zinc metal-organic framework (epoxy/ZIF-8/CS/cellulase) support, yielding a conjugation rate of 0.64 ± 0.02 mg/cm2 and retaining 80.
View Article and Find Full Text PDFAdv Mater
January 2025
School of Materials Science and Engineering, University of Science and Technology of China, Shenyang, 110016, China.
Sulfur conversion reactions are the foundation of lithium-sulfur batteries but usually possess sluggish kinetics during practical battery operation. Herein, a high-entropy single-atom catalyst (HESAC) is synthesized for this process. In contrast to conventional dual-atom catalysts that form metal-metal bonds, the center metal atoms in HESAC are not bonded but exhibit long-range interactions at a sub-nanometer distance (<9 Å).
View Article and Find Full Text PDFJ Membr Biol
January 2025
Crystallography and Molecular Biology Division, Saha Institute of Nuclear Physics, Kolkata, India.
Inward rectifying potassium (Kir) channels play a critical role in maintaining the resting membrane potential and cellular homeostasis. The high-resolution crystal structure of homotetrameric KirBac1.1 in detergent micelles provides a snapshot of the closed state.
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