Structural Features Governing the Near-Edge X-ray Absorption Spectra of Lead Halide Perovskites

X-ray absorption spectroscopy (XAS) represents the ideal complement to diffraction techniques to investigate the structure of materials. Despite its strong points and the abundance of studies devoted to lead halide perovskites for application in optoelectronics, XAS has been applied to lead halide perovskites rather infrequently to date, and with varying degrees of success. In the search of generalizable approaches to be applied to data analysis of XAS spectra of halide perovskites with different compositions, we present here an experimental and computational study on a hybrid Pb/Bi iodide solid solution as a model for halide perovskites with different compositions

Long-Term Stability of TiS2–Alkylamine Hybrid Materials

Layered TiS2 intercalated with linear alkylamines has recently attracted significant interest as a model compound for flexible n-type thermoelectric applications, showing remarkably high power factors at room temperature. The thermal and, particularly, environmental stability of such materials is, however, a still an open challenge. In this paper, we show that amine-intercalated TiS2 prepared by a simple mechanochemical process is prone to chemical decomposition through sulfur exsolution, and that the presence of molecular oxygen is likely to mediate the decomposition reaction. Through computational analysis of the possible reaction pathways, we propose that Ti-N adducts are formed as a consequence of amine groups substituting for S vacancies on the internal surfaces of the S-Ti-S layers. These findings provide insights for possible future applications of similar hybrid compounds as devices operating in ambient conditions, and suggest isolating them from atmospheric oxygen

Modelling the structural disorder in trigonal-prismatic coordinated transition metal dichalcogenides

Trigonal-prismatic coordinated transition metal dichalcogenides (TMDCs) are formed from stacked (chalcogen)-(transition metal)-(chalcogen) triple layers, where the chemical bond is covalent within the triple layers and van der Waals (vdW) forces are effective between the layers. Bonding is at the origin of the great interest in these compounds, which are used as 2D materials in applications such as catalysis, electronics, photoelectronics, sensors, batteries and thermoelectricity. This paper addresses the issue of modelling the structural disorder in multilayer TMDCs. The structural model takes into account stacking faults, correlated displacement of atoms and average crystallite size/shape, and is assessed by simulation of the X-ray diffraction pattern and fitting to the experimental data relative to a powdered sample of MoS2 exfoliated and restacked via lithiation. From fitting, an average crystallite size of about 50 angstrom, nearly spherical crystallites and a definite probability of deviation from the fully eclipsed atomic arrangement present in the ordered structure are determined. The increased interlayer distance and correlated intralayer and interlayer atomic displacement are attributed to the presence of lithium intercalated in the vdW gap between triple layers (Li/Mo molar ratio of about 0.06). The model holds for the whole class of trigonal-prismatic coordinated TMDCs, and is suitably flexible to take into account different preparation routes

Analyzing post modern consumer behavior and beef consumption patterns: Insights from Sicilian market

In current events, consumers are subject to various stimuli (advertising campaigns, popular magazines, social) that affect their marginal consumption propensity. However, as Economic Theory teaches us, the marginal propensity to consume does not necessarily translate into consumer spending. This is strongly affected by consumers' eating habits and other variables that determine where the consumption phenomenon occurs. The study aims to analyze post-modern consumer behavior toward beef consumption. An online questionnaire was administered to 535 Sicilian participants to achieve this goal. Statistical analyses were performed by R statistical software, using two-tailed P-values, and setting statistical significance at P <= 0.05. The results show that consumption choices are influenced by beef meat's impact on health. In addition, consumers consider the origin and certifications of the raw material to be extremely crucial

Maintenance of therapeutic concentrations of micafungin administered 5 days/week in a leukemic adolescent with invasive candidiasis

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Thermodynamical Consistent Modeling and Analysis of Nematic Liquid Crystal Flows

The general Ericksen-Leslie system for the flow of nematic liquid crystals is reconsidered in the non-isothermal case aiming for thermodynamically consistent models. The non-isothermal model is then investigated analytically. A fairly complete dynamic theory is developed by analyzing these systems as quasilinear parabolic evolution equations in an $L^p-L^q$-setting. First, the existence of a unique, local strong solution is proved. It is then shown that this solution extends to a global strong solution provided the initial data are close to an equilibrium or the solution is eventually bounded in the natural norm of the underlying state space. In these cases, the solution converges exponentially to an equilibrium in the natural state manifold

Investigating the epi-miRNome: Identification of epi-miRNAs using transfection experiments

Aim: Growing evidence shows a strong interplay between post-transcriptional regulation, mediated by miRNAs (miRs) and epigenetic regulation. Nevertheless, the number of experimentally validated miRs (called epi-miRs) involved in these regulatory circuitries is still very small. Material & methods: We propose a pipeline to prioritize candidate epi-miRs and to identify potential epigenetic interactors of any given miR starting from miR transfection experiment datasets. Results & conclusion: We identified 34 candidate epi-miRs: 19 of them are known epi-miRs, while 15 are new. Moreover, using an in-house generated gene expression dataset, we experimentally proved that a component of the polycomb-repressive complex 2, the histone methyltransferase enhancer of zeste homolog 2 (EZH2), interacts with miR-214, a well-known prometastatic miR in melanoma and breast cancer, highlighting a miR-214-EZH2 regulatory axis potentially relevant in tumor progression

Thermal Performance Investigation of Phase Change Materials in Concrete Blocks Masonry

Mortars containing phase change materials (PCMs) were tested to determine their applicability to the thermal control of buildings. One mini-wall prototype was coated with mortar without PCM, whereas the three other prototypes were coated with mortar added with 5%, 10%, and 15% PCM. All specimens were subjected to visual analysis, scanning electron microscopy coupled with energy dispersive X-ray analysis, and differential scanning calorimetry. Thermal analysis was conducted using K-type thermocouples under irradiation by 1000 W halogen lamps. Compared with the other samples, the sample containing 15% PCM required more water in the mixture to achieve a good consistency. Compared with the reference mortar containing 0% PCM, specimens containing 5%, 10%, and 15% PCM showed greater thermal delay. The results of this study reveal that the use of PCM in buildings might lead to significant energy savings

Landau-De Gennes theory of nematic liquid\ud crystals: the Oseen-Frank limit and beyond

We study global minimizers of a continuum Landau-De Gennes energy functional for nematic liquid crystals, in three-dimensional domains, subject to uniaxial boundary conditions. We analyze the physically relevant limit of small elastic constant and show that global minimizers converge strongly, in W 1,2 , to a global minimizer predicted by the Oseen-Frank theory for uniaxial nematic liquid crystals with constant order parameter. Moreover, the convergence is uniform in the interior of the domain, away from the singularities of the limiting Oseen-Frank global minimizer. We obtain results on the rate of convergence of the eigenvalues and the regularity of the eigenvectors of the Landau-De Gennes global minimizer.\ud \ud \ud We also study the interplay between biaxiality and uniaxiality in Landau-De Gennes global energy minimizers and obtain estimates for various related quantities such as the biaxiality parameter and the size of admissible strongly biaxial regions