Effect of Natural Inhibitors on the Corrosion Properties of Grade 2 Titanium Alloy.

This study investigates the effects of natural inhibitors (pomegranate, algae, and tomato extracts) on the corrosion resistance of titanium (grade 2). To deepen understanding the inhibition mechanism, Molecular Dynamic (MD) and Monte Carlo (MC) simulations were employed to analyze adsorption behaviors and identify optimal adsorption sites on titanium oxide (TiO) surfaces for compounds within the inhibitors. Results indicate non-flat adsorption orientations, with pomegranate peel extract components showing superior inhibition capabilities, attributed to the formation of strong O-H chemical bonds with the TiO surface.

Phonon Directionality Impacts Electron-Phonon Coupling and Polarization of the Band-Edge Emission in Two-Dimensional Metal Halide Perovskites.

Two-dimensional metal halide perovskites are highly versatile for light-driven applications due to their exceptional variety in material composition, which can be exploited for the tunability of mechanical and optoelectronic properties. The band-edge emission is defined by the structure and composition of both organic and inorganic layers, and electron-phonon coupling plays a crucial role in the recombination dynamics. However, the nature of the electron-phonon coupling and what kind of phonons are involved are still under debate.

Heterostructures via a Solution-Based Anion Exchange in Microcrystalline 2D Layered Metal-Halide Perovskites.

Layered perovskites consist of stacks of inorganic semiconducting metal-halide octahedra lattices sandwiched between organic layers with typically dielectric behavior. The in-plane confinement of electrical carriers in such two-dimensional metal halide perovskites drives a large range of appealing electronic properties, such as strong exciton binding, anisotropic charge diffusion, and polarization-directionality. Heterostructures provide additional control on carrier diffusion and localization, and in-plane heterojunctions are interesting because of the associated high charge mobility.

Perovskenes: two-dimensional perovskite-type monolayer materials predicted by first-principles calculations.

Inspired by the successful transfer of freestanding ultrathin films of SrTiO and BiFeO onto various substrates without any thickness limitation, in this study, using density functional theory (DFT), we assessed the structural stability of a group of two-dimensional perovskite-type materials which we call perovskenes. Specifically, we analyzed the stability of 2D SrTiO, SrZrO, BaTiO, and BaZrO monolayers. Our simulations revealed that the 2D monolayers of SrTiO, BaTiO, and BaZrO are at least meta-stable, as confirmed by cohesive energy calculations, evaluation of elastic constants, and simulation of phonon dispersion modes.

Mapping emission heterogeneity in layered halide perovskites using cathodoluminescence.

Recent advancements in the fabrication of layered halide perovskites and their subsequent modification for optoelectronic applications have ushered in a need for innovative characterisation techniques. In particular, heterostructures containing multiple phases and consequently featuring spatially defined optoelectronic properties are very challenging to study. Here, we adopt an approach centered on cathodoluminescence, complemented by scanning electron microscopy coupled with energy-dispersive x-ray spectroscopy analysis.

Puckered Penta-like PdPX (X = O, S, Te) Semiconducting Nanosheets: First-Principles Study of the Mechanical, Electro-Optical, and Photocatalytic Properties.

The atomic, electronic, optical, and mechanical properties of penta-like two-dimensional PdPX (X = O, S, Te) nanosheets have been systematically investigated using density functional theory calculations. All three PdPX nanosheets exhibit dynamic and mechanical stability on the basis of an analysis of phonon dispersions and the Born criteria, respectively. The PdPX monolayers are found to be brittle structures.

Understanding the endocrine disruptor and determination of bisphenol A by functional Cu-BTABB-MOF/rGO composite as facile rapid electrochemical sensor: an experimental and DFT investigation.

A pioneering CuBTABB-MOF/rGO composite customized electrode is fabricated and utilized as a sensor towards identifying bisphenol A (BPA) in a phosphate buffer solution of pH 7.0. The composite is characterized by FTIR, Raman spectroscopy, XRD, SEM, EDX, HRTEM, and XPS to study its structural and morphological properties.

Electronic and optical properties of two-dimensional heterostructures and heterojunctions between doped-graphene and C- and N-containing materials.

The electronic and optical properties of vertical heterostructures (HTSs) and lateral heterojunctions (HTJs) between (B,N)-codoped graphene (dop@Gr) and graphene (Gr), CN, BC and h-BN monolayers are investigated using van der Waals density functional theory calculations. We have found that all the considered HTSs are energetically and thermally feasible at room temperature, and therefore they can be synthesized experimentally. The dop@Gr/Gr, BC/dop@Gr and BN/dop@Gr HTSs are semiconductors with direct bandgaps of 0.

User Acceptance of Picture Archiving and Communication System in the Emergency Department.

Background: Picture archiving and communication system (PACS) has allowed the medical images to be transmitted, stored, retrieved, and displayed in different locations of a hospital or health system. Using PACS in the emergency department will eventually result in improved efficiency and patient care. In spite of the abundant benefits of employing PACS, there are some challenges in implementing this technology like users' resistance to accept the technology, which has a critical role in PACS success.

Success rate and complications of internal jugular vein catheterization with and without ultrasonography guide.

Background: Central venous catheterization (CVC) is an important procedure in emergency departments (EDs). Despite existence of ultrasonography (US) devices in every ED, CVC is done using anatomical landmarks in many EDs in Iran.

Objectives: This study aimed to compare the traditional landmark method vs.

Diagnostic value of "bedside ultrasonography" and the "water bath technique" in distal forearm, wrist, and hand bone fractures.

Bedside ultrasonography (BUS) has been widely used in many emergency evaluations, but the technique was not thoroughly evaluated for use in adult fractures. The water bath technique (WBT) is a modality which overcomes some important limitations of using BUS in extremity fractures. The study aims to evaluate and compare diagnostic values of BUS and WBT.

Citrullus colocynthis as the Cause of Acute Rectorrhagia.

Introduction. Citrullus colocynthis Schrad. is a commonly used medicinal plant especially as a hypoglycemic agent.

Assigning residents of emergency medicine to screen patients before admission: a strategy to overcome overcrowding.

Background: The overcrowded hospital is an unsafe one. Overcrowding the emergency department (ED) results in increased patient suffering, prolonged waiting time, deteriorating level of service, and on occasion, a worsened medical condition or even death.

Objectives: This study proposes a strategy to overcome ED overcrowding.