Time-dependent density functional theory within the linear response regime provides a solid mathematical framework to capture excitations. The accuracy of the theory, however, largely depends on the approximations for the exchange-correlation (xc) kernels. Away from the long-wavelength (or q = 0 short wave-vector) and zero-frequency (ω = 0) limit, the correlation contribution to the kernel becomes more relevant and dominant over exchange. The dielectric function, in principle, can encompass xc effects relevant to describe low-density physics. Furthermore, besides collective plasmon excitations, the dielectric function can reveal collective electron-hole excitations, often dubbed "ghost excitons." Besides collective excitons, the physics of the low-density regime is rich, as exemplified by a static charge-density wave that was recently found for rs > 69, and was shown to be associated with softening of the plasmon mode. These excitations are seen to be present in much higher density 2D homogeneous electron gases of rs ≳ 4. In this work, we perform a thorough analysis with xc model kernels for excitations of various nature. The uniform electron gas, as a useful model of real metallic systems, is used as a platform for our analysis. We highlight the relevance of exact constraints as we display and explain screening and excitations in the low-density region.
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Sci Rep
January 2025
Nanopatterning-Nanoanalysis-Photonic Materials Group, Department of Physics, Paderborn University, Warburgerstr. 100, 33098, Paderborn, Germany.
Measurements in general are limited in accuracy by the presence of noise. This also holds true for highly sophisticated scintillation-based CCD cameras, as they are used in medical applications, astronomy or transmission electron microscopy. Further, signals measured with pixelated detectors are convolved with the inherent detector point spread function.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Univ. Lille, CNRS, Centrale Lille, Univ. Polytechnique Hauts-de-France, Junia-ISEN, UMR 8520-IEMN, F-59000 Lille, France.
The effect of growth temperature and subsequent annealing on the epitaxy of both single- and few-layer TaSe on Se-terminated GaP(111) substrates is investigated. The selective growth of the 1T and 1H phases is shown up to 1 ML according to X-ray and ultraviolet photoelectron spectroscopies. The 1H monolayer, favored at low temperatures, exhibits a very homogeneous coverage after annealing, while the 1T ML, grown at high temperatures, is characterized by a better in-plane orientation.
View Article and Find Full Text PDFInt J Biomater
January 2025
Iranian Center for Endodontic Research, Research Institute for Dental Sciences, Shahid Beheshti University of Medical Sciences, Tehran 1983963113, Iran.
This study aimed to evaluate the impact of different manipulation methods and storage environments on the microstructural, chemical, and mechanical properties of calcium-enriched mixture (CEM) cement. Four sample groups were examined, including nondried (ND-I) and dried (D-I) groups placed directly in an incubator, dried samples stored in phosphate-buffered saline (PBS) (D-P), and dried samples stored in distilled water (D-W). Various analyses, including Vickers microhardness, compressive strength, Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), and scanning electron microscopy (SEM) with energy-dispersive X-ray spectroscopy (EDS) were conducted after incubating the samples for 7 days.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
State Key Laboratory of Physical Chemistry of Solid Surface, Fujian Key Laboratory of Surface and Interface Engineering for High Performance Materials, College of Materials, Xiamen University, Xiamen 361005, China.
Sluggish redox kinetics and dendrite growth perplex the fulfillment of efficient electrochemistry in lithium-sulfur (Li-S) batteries. The complicated sulfur phase transformation and sulfur/lithium diversity kinetics necessitate an all-inclusive approach in catalyst design. Herein, a compatible mediator with nanoscale-asymmetric-size configuration by integrating Co single atoms and defective CoTe (Co-CoTe@NHCF) is elaborately developed for regulating sulfur/lithium electrochemistry synchronously.
View Article and Find Full Text PDFChemosphere
January 2025
Department of Chemistry, School of Chemical Engineering and Physical Sciences, Lovely professional University, Phagwara, Punjab, India. Electronic address:
Gallic acid (GA) has emerged as a low biodegradable and high acidity industrial effluent. Due to mutagenic and carcinogenic nature of GA, it becomes essential to remove it from wastewater. Different chemical, physical and biological methods are being used for this purpose.
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