The band structure of the quasi-one-dimensional transition metal trichalcogenide ZrS(001) was investigated using nanospot angle resolved photoemission spectroscopy (nanoARPES) and shown to have many similarities with the band structure of TiS(001). We find that ZrS, like TiS, is strongly n-type with the top of the valence band ∼1.9 eV below the Fermi level, at the center of the surface Brillouin zone. The nanoARPES spectra indicate that the top of the valence band of the ZrS(001) is located at [Formula: see text]. The band structure of both TiS and ZrS exhibit strong in-plane anisotropy, which results in a larger hole effective mass along the quasi-one-dimensional chains than perpendicular to them.
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http://dx.doi.org/10.1088/1361-648X/ab832c | DOI Listing |
J Fluoresc
January 2025
Department of Physics, Jnanabharathi, Bangalore University, Bengaluru, 560056, Karnataka, India.
In this report the photophysical property of newly synthesized fluorescein based derivative 2-(5-((2,4-dichlorophenyl)diazenyl)-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid has studied by spectroscopic and theoretical that is by Density Functional Theory technique. The structural and functional group of the synthesized molecule was confirmed by nuclear magnetic resonance and fourier transform infrared spectroscopy technique, and from the result so far obtained has been confirmed that molecule has a stable structure and confirmed the presence the functional groups present in the sample. The optical properties of the molecule are studied using the spectroscopic technique and it has revealed the solute-solvent interaction behaviour of the molecule and it has been observed that the bathochromic shift was of about 5 nm, from the fluorescence measurement it has revealed that the emission has been observed at green region and from the power spectra it has been confirmed the same.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 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, People's Republic of China.
The concurrent evolution of value-added benzimidazole compounds and hydrogen within the domain of chemical synthesis is of paramount importance. The utilization of photocatalysis enhances both the efficiency and environmental benignity of the synthetic process. However, it is profoundly challenging within a photocatalytic system to simultaneously augment the number of active sites and the internal transport rate of photogenerated charge carriers.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
School of Materials Science and Engineering, Jiangxi University of Science and Technology, Ganzhou 341000, P. R. China.
First-principles calculations, particularly density functional theory (DFT) combined with D3 dispersion correction (DFT+D3), have proven to be valuable tools in simulating the adsorption of lead ions on TiCO surfaces. However, conventional theoretical models assume electrically neutral systems under vacuum conditions, neglecting the solvent environment and electrode potential's crucial effects. This study employed an implicit solvent model, treating the solvent as a continuous and homogeneous medium to capture the influence of different solvents by varying their dielectric constants.
View Article and Find Full Text PDFFood Funct
January 2025
Institute of Edible Fungi, Shanghai Academy of Agricultural Sciences, National Engineering Research Center of Edible Fungi, Key Laboratory of Edible Fungi Resources and Utilization (South), Ministry of Agriculture, 201403, China.
is a valuable edible fungus with multidimensional bioactivities; however, research on protein and its beneficial effects on nonalcoholic fatty liver disease (NAFLD) have been limited. In this study, protein (MEP) with 80.59% protein content was prepared, isolated, and characterized by the complete amino acid composition.
View Article and Find Full Text PDFChem Mater
January 2025
Department of Materials Science and Engineering, University of California, Berkeley, California 94704, United States.
Multivalent-ion batteries offer an alternative to Li-based technologies, with the potential for greater sustainability, improved safety, and higher energy density, primarily due to their rechargeable system featuring a passivating metal anode. Although a system based on the Ca/Ca couple is particularly attractive given the low electrochemical plating potential of Ca, the remaining challenge for a viable rechargeable Ca battery is to identify Ca cathodes with fast ion transport. In this work, a high-throughput computational pipeline is adapted to (1) discover novel Ca cathodes in a largely unexplored space of "empty intercalation hosts" and (2) develop material design rules for Ca-ion mobility.
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