Category Ranking
98%
Total Visits
921
Avg Visit Duration
2 minutes
Citations
20
Article Abstract
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10440072 | PMC |
Publication Analysis
Top Keywords
Similar Publications
Slimmer Geminals For Accurate F12 Electronic Structure Models.
J Chem Theory Comput
September 2025
Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24060, United States.
The Slater-type F12 geminal length scales originally tuned for the second-order Mo̷ller-Plesset F12 method are too large for higher-order F12 methods formulated using the SP (diagonal fixed-coefficient spin-adapted) F12 ansatz. The new geminal parameters reported herein reduce the basis set incompleteness errors (BSIEs) of absolute coupled-cluster singles and doubles F12 correlation energies by a significant─and increase with the cardinal number of the basis─margin. The effect of geminal reoptimization is especially pronounced for the cc-pVZ-F12 basis sets (specifically designed for use with F12 methods) relative to their conventional aug-cc-pVZ counterparts.
View Article and Find Full Text PDFStructural Design and Tuning of Cobalt-Free O3-NaKCuNi[FeMn]O ( = 0.01, 0.05, 0.1) Cathode for Ameliorated Na Storage.
ACS Appl Mater Interfaces
September 2025
School of Materials and New Energy, South China Normal University, Shanwei 516600, China.
Nowadays, the continuous advancement of sodium-ion battery technology has made it an important choice in the new energy field and promoted the development of lithium-ion batteries. The cycling stability of cathode materials for sodium-ion batteries at high voltage (>4.0 V) is still a key challenge.
View Article and Find Full Text PDFMetallic NbS One-Dimensional van der Waals Heterostructures.
ACS Nano
September 2025
Department of Mechanical Engineering, The University of Tokyo, Tokyo 113-8656, Japan.
This study presents the experimental demonstration of metallic NbS-based one-dimensional van der Waals heterostructures using a modified NaCl-assisted chemical vapor deposition strategy. By employing a ″remote salt″ strategy, we realized precise control of the NaCl supply, enabling the growth of high-quality coaxial NbS nanotubes on single-walled carbon nanotube-boron nitride nanotube (SWCNT-BNNT) templates. Using this remote salt strategy, the morphologies of as-synthesized NbS could be tuned from 1D nanotubes to suspended 2D flakes.
View Article and Find Full Text PDFModulation of Interfacial Water at Gas-Liquid-Solid Interface for Water Electrolysis.
Angew Chem Int Ed Engl
September 2025
Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education of the People's Republic of China, School of Chemistry and Materials Science, Heilongjiang University, Harbin, 150080, China.
Renewable electricity-driven water electrolysis stands at the forefront of clean hydrogen production, playing a crucial role in achieving a net-zero carbon future. Interfacial water is fundamental to this process, dictating reaction kinetics, proton and electron transfer dynamics, and mass transport at the electrode-electrolyte interface. Effective tuning of the structure of interfacial water is imperative for enhancing catalytic activity, efficiency, and long-term stability.
View Article and Find Full Text PDFTa-doped NiFe layered double hydroxide for efficient alkaline water oxidation at ampere-level current with 2000 h durability.
Nanoscale
September 2025
State Key Laboratory of Chemical Resource Engineering, College of Chemistry, Beijing University of Chemical Technology, Beijing 100029, China.
Electrochemical water splitting offers a sustainable strategy for hydrogen production, yet the kinetic sluggishness of the oxygen evolution reaction (OER) due to high activation barriers remains a critical challenge. NiFe layered double hydroxide (NiFe LDH) is a promising OER catalyst in alkaline media, but its performance suffers from limited active site exposure and insufficient durability. Herein, the rational design of a Ta-doped NiFe LDH (NiFeTa LDH) were achieved a facile hydrothermal method.
View Article and Find Full Text PDF