The local and average orbital moments
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http://dx.doi.org/10.1103/PhysRevLett.90.226402 | DOI Listing |
Nanoscale Adv
December 2024
Key Laboratory of Jiangxi Province for Persistent Pollutants Control and Resources Recycle, Nanchang Hangkong University Nanchang 330063 P. R. China.
Photocatalytic reduction of CO to produce organic fuels is a promising strategy for addressing carbon reduction and energy scarcity. Transition metal carbides (TiCT ) are of particular interest due to their unique layered structures and excellent electrical conductivity. However, the practical application of TiCT is limited by the poor separation efficiency of photogenerated charge carriers and the low migration ability of photogenerated electrons.
View Article and Find Full Text PDFChemistry
January 2025
Shanghai Jiaotong University: Shanghai Jiao Tong University, College of Smart Energy, CHINA.
Transition-metal nitrides (TMNs) have garnered considerable attention for energy conversion applications owing to their exceptional electronic structures and high catalytic activities. However, the scarcity of active sites in TMNs impedes their large-scale application. This study describes the use of wetness impregnation and ionic-liquid methods to enhance the electrocatalytic efficiency of molybdenum nitride (MoN) atomic clusters finely dispersed on nitrogen-doped carbon (MoN@NC) substrates.
View Article and Find Full Text PDFSci Rep
January 2025
Department of Biological Sciences, University of Calgary, Calgary, AB, T2N 1N4, Canada.
Metals have been used throughout history to manage disease. With the rising incidence of antibiotic-resistant bacterial strains, metal-based antimicrobials (MBAs) have re-emerged as an alternative to combat infections. Gallium nitrate has shown promising efficacy against several pathogens.
View Article and Find Full Text PDFNucleic Acids Res
January 2025
State Key Laboratory for Conservation and Utilization of Subtropical Agro-bioresources, College of Life Science and Technology, Guangxi University, Nanning 530004, China.
Copper (Cu), a trace element with redox activity, is both essential and toxic to living organisms. Its redox properties make it a cofactor for a variety of proteins, but it also causes oxidative stress, hence the need to maintain intracellular copper homeostasis. However, the role of copper in the regulation of antioxidant defense in bacteria remains unclear, and the involved transcription factors remain to be explored.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, People's Republic of China.
Aromaticity is one of the most classical concepts in the field of modern chemistry and has been employed to explain and design substances with special stability. Although the knowledge about Hückel's and Baird's rules has been well established, the understanding of Möbius aromaticity remains extremely limited. In this letter, by employing density functional theory (DFT) calculations, we demonstrated that the four-membered VIB transition metal (TM) carbide clusters possess a highly stable open-shell planar tetrameric structure and exhibit double Möbius aromaticity, which was evidenced by analyzing multiple aromaticity criteria, including the electronic, magnetic, and energetic indicators.
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