The paper presents effect of low temperature upon location of selected Raman bands. The structural properties of pure zirconium pre-oxidized at 773K and 873K have been studied during cooling in the range of temperatures 273K and 93K by Raman spectroscopy. Analysis of the Raman band positions for the monoclinic phase of zirconia oxide was performed. Raman spectroscopy has shown that monoclinic phase of zirconia oxide undergoes a continuous band displacement, individual for each studied Raman mode. Registered shift is aimed towards the high frequency direction. Recorded Raman band displacement was employed to study stress state in zirconia oxide films grown on pure zirconium developed during control cooling. Presented results showed a good correlation between different thicknesses of the oxide scale.
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http://dx.doi.org/10.1016/j.saa.2014.05.023 | DOI Listing |
J Mol Model
January 2025
Department of Chemistry, Federal Institute of Education, Science and Technology of Espírito Santo, Av. Min. Salgado Filho, Vila Velha, 29106-010, Espírito Santo, Brazil.
Context: This study presents quantum chemical analysis of 14 distinct carbon-based nanostructures (CBN), ranging from simple molecules, like benzene, to more complex structures, such as coronene, which serves as an exemplary graphene-like model. The investigation focuses on elucidating the relationships between molecular orbital (MO) energies, the energy band gaps, electron occupation numbers (eON), electronic conduction, and the compound topologies, seeking to find the one that approaches most of a graphene-like structure for in silico studies. Through detailed examination of molecular properties including chemical hardness and chemical potential, we demonstrate that the electronic exchange between orbitals is directly influenced by the structural topology of the carbon-based nanostructures, as the electron occupation numbers and the molecular orbital energies.
View Article and Find Full Text PDFDalton Trans
January 2025
Department of Chemistry, Capital Normal University, Beijing, 100048, P. R. China.
An OER catalyst showing both high activity and stability in promoting oxygen evolution is important for its practical application in electrochemical water-splitting. Here, we report the screening of such a catalyst by optimizing the Ni(II)-doping in Co(III)-based layered double hydroxides (LDHs). Such LDH samples tailored with Ni(II)-doping are prepared by an oxidative intercalation reaction where brucite-like Ni(II)Co(II)(OH) (0 ≤ ≤ 0.
View Article and Find Full Text PDFScand J Clin Lab Invest
January 2025
Section of Clinical Biochemistry, University of Verona, Verona, Italy.
Crystals in urinary sediment are commonly recognized structures, typically identified by a combination of crystal morphology and urine pH. In this paper, we present the first reported case of EDDP (2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidene) crystals, the primary metabolite of methadone, in a 67-year-old male with hepatorenal syndrome. Routine urinalysis revealed numerous needle-shaped crystals, which prompted further investigation.
View Article and Find Full Text PDFJ Diabetes Sci Technol
January 2025
Profil, Neuss, Germany.
Background: Glucose is an essential molecule in energy metabolism. Dysregulated glucose metabolism, the defining feature of diabetes, requires active monitoring and treatment to prevent significant morbidity and mortality. Current technologies for intermittent and continuous glucose measurement are invasive.
View Article and Find Full Text PDFSci Rep
January 2025
Materials Science and Engineering Program, College of Arts and Sciences, American University of Sharjah, POB 26666, Sharjah, United Arab Emirates.
Graphene, a two-dimensional material featuring densely packed sp-hybridized carbon atoms arranged in a honeycomb lattice, has revolutionized material science. Laser-induced graphene (LIG) represents a breakthrough method for producing graphene from both commercial and natural precursors via direct laser writing, offering advantages such as simplicity, efficiency, and cost-effectiveness. This study demonstrates a novel approach to synthesize a composite material exclusively from a porous organic polymer (POP) by direct femtosecond laser writing on a compressed imide-linked porous organic polymer substrate.
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