Molecular Dynamics Simulation of Thin Silicon Carbide Films Formation by the Electrolytic Method.

Silicon carbide is successfully implemented in semiconductor technology; it is also used in systems operating under aggressive environmental conditions, including high temperatures and radiation exposure. In the present work, molecular dynamics modeling of the electrolytic deposition of silicon carbide films on copper, nickel, and graphite substrates in a fluoride melt is carried out. Various mechanisms of SiC film growth on graphite and metal substrates were observed.

Spectroscopic Study of Five-Coordinated Thermal Treated Alumina Formation: FTIR and NMR Applying.

This work represents research into materials designed to improve the environment. The study was carried out on aluminum hydroxide xerogels and alumina catalysts obtained by the Controlled Double Jet Precipitation (CDJP) process at different pH values. It has been shown that the pH of the CDJP process determines the content of aluminum-bound nitrate ions in the aluminum hydroxide.

Ab Initio Study of the Electronic Properties of a Silicene Anode Subjected to Transmutation Doping.

In the present work, the electronic properties of doped silicene located on graphite and nickel substrates were investigated by first-principles calculations method. The results of this modeling indicate that the use of silicene as an anode material instead of bulk silicon significantly improves the characteristics of the electrode, increasing its resistance to cycling and significantly reducing the volume expansion during lithiation. Doping of silicene with phosphorus, in most cases, increases the electrical conductivity of the anode active material, creating conditions for increasing the rate of battery charging.

Molecular Dynamics and Experimental Study of the Effect of CeF and NdF Additives on the Physical Properties of FLiNaK.

The paper presents the results, which are consistent within 2%, obtained both in the simulation of molecular dynamics and in the experiment on the study of the kinetic properties of molten FLiNaK with addition of lanthanide fluorides. The parameters of the Born-Huggins-Meier potential for the interaction of CeF or NdF with FLiNaK components are first calculated using the ab initio approach. The enthalpy of the system with dissolved CeF or NdF calculated in the model increases by ∼4.

Recent Advances in Transition Metal Tellurides (TMTs) and Phosphides (TMPs) for Hydrogen Evolution Electrocatalysis.

The hydrogen evolution reaction (HER) is a developing and promising technology to deliver clean energy using renewable sources. Presently, electrocatalytic water (HO) splitting is one of the low-cost, affordable, and reliable industrial-scale effective hydrogen (H) production methods. Nevertheless, the most active platinum (Pt) metal-based catalysts for the HER are subject to high cost and substandard stability.

Layered Perovskites BaLnInO ( = 1, 2) for Electrochemical Applications: A Mini Review.

Modern humanity is facing many challenges, such as declining reserves of fossil energy resources and their increasing prices, climate change and an increase in the number of respiratory diseases including COVID-19. This causes an urgent need to create advanced energy materials and technologies to support the sustainable development of renewable energy systems including hydrogen energy. Layered perovskites have many attractions due to their physical and chemical properties.

Computational Modeling of Doped 2D Anode Materials for Lithium-Ion Batteries.

Development of high-performance lithium-ion batteries (LIBs) is boosted by the needs of the modern automotive industry and the wide expansion of all kinds of electronic devices. First of all, improvements should be associated with an increase in the specific capacity and charging rate as well as the cyclic stability of electrode materials. The complexity of experimental anode material selection is now the main limiting factor in improving LIB performance.

Computer simulation of obtaining thin films of silicon carbide.

Silicon carbide films are potential candidates for the development of microsystems with harsh environmental conditions. In this work, the production of high-purity silicon carbide films by the electrolytic method is reproduced in a computer model. Single-layer SiC films were deposited on nickel, copper, and graphite substrates.

Solid Electrolyte Membranes Based on LiO-AlO-GeO-SiO-PO Glasses for All-Solid State Batteries.

Rechargeable Li-metal/Li-ion all-solid-state batteries due to their high safety levels and high energy densities are in great demand for different applications ranging from portable electronic devices to energy storage systems, especially for the production of electric vehicles. The LiAlGe(PO) (LAGP) solid electrolyte remains highly attractive because of its high ionic conductivity at room temperature, and thermal stability and chemical compatibility with electrode materials. The possibility of LAGP production by the glass-ceramic method makes it possible to achieve higher total lithium-ion conductivity and a compact microstructure of the electrolyte membrane compared to the ceramic one.

Development of LaCaNiCuO Materials for Oxygen Permeation Membranes and Cathodes for Intermediate-Temperature Solid Oxide Fuel Cells.

The LaCaNiCuO (y = 0.0-0.4) nickelates, synthesized via a solid-state reaction method, are investigated as prospective materials for oxygen permeation membranes and IT-SOFC cathodes.

Novel Protonic Conductor SrLaScO with Layered Structure for Electrochemical Devices.

Novel materials with target properties for different electrochemical energy conversion and storage devices are currently being actively created and investigated. Materials with high level of protonic conductivity are attracting attention as electrolytes for solid oxide fuel cells and electrolyzers. Though many materials are being investigated as potential electrolytic components for these devices, many problems exist, including comparability between electrodes and electrolytes.

High-Entropy Materials in SOFC Technology: Theoretical Foundations for Their Creation, Features of Synthesis, and Recent Achievements.

In this review, recent achievements in the application of high-entropy alloys (HEAs) and high-entropy oxides (HEOs) in the technology of solid oxide fuel cells (SOFC) are discussed for the first time. The mechanisms of the stabilization of a high-entropy state in such materials, as well as the effect of structural and charge factors on the stability of the resulting homogeneous solid solution are performed. An introduction to the synthesis methods for HEAs and HEOs is given.

Nickel-doped lanthanum cerate nanomaterials as highly active electrocatalysts.

The efficient oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) catalyst materials are crucial in the energy research domain due to their tunability. Structural modification in perovskites such as lanthanum cerates (LaCeO) upon doping at A or B sites significantly affects the surface activity and enhances the catalysis efficacy. Herein, B-site nickel-doped lanthanum cerate (LaCeNiO) nanopowders were applied as ORR indicators in high-temperature electrochemical impedance spectroscopy for solid-oxide fuel cell (SOFC) tests and in cyclic voltammetric OER investigations in alkaline medium.

Rhenium Electrodeposition and Its Electrochemical Behavior in Molten KF-KBF-BO-KReO.

The electrochemical behavior of rhenium ions in the molten KF-KBF-BO salt was systematically studied, and pure metallic rhenium was obtained at the cathode. The processes of rhenium ions reduction and diffusion in molten KF-KBF-BO were determined using cyclic voltammetry, stationary galvanostatic and polarization curves analyses. The values of diffusion coefficients were 3.

[A clinical case of progressive hypokalemic myopathy due to Conn's syndrome].

Cervical radiculopathy is a common disease in everyday neurology clinical practice. However, a number of symptoms of cervical radiculopathy can occur in other diseases of nervous system and musculoskeletal apparatus. In particular, pain and weakness are observed in diseases of skeletal muscles and can be incorrectly interpreted as a damage of peripheral nerves, roots and plexuses.

Densification and Proton Conductivity of LaBaScO Electrolyte Membranes.

Bain LaBaScO impairs sintering and leads to a decrease in its ceramic density. Two approaches have been studied for obtaining dense ceramics: using a high processing temperature and the introduction of a CoO sintering additive. An addition of only 0.

Novel High Conductive Ceramic Materials Based on Two-Layer Perovskite BaLaInO.

The tasks of quality environmental improvement and the development of new energy sources are very relevant. Hydrogen-operating electrochemical devices are strongly needed innovative ceramic materials with target properties, one of which is a high level of proton conductivity. It this paper, the possibility of proton conductivity in acceptor-doped two-layer compositions based on BaLaInO was proved for the first time.

Proton Transport in the Gadolinium-Doped Layered Perovskite BaLaInO.

Materials capable for use in energy generation have been actively investigated recently. Thermoelectrics, photovoltaics and electronic/ionic conductors are considered as a part of the modern energy system. Layered perovskites have many attractions, as materials with high conductivity.

Advanced Proton-Conducting Ceramics Based on Layered Perovskite BaLaInO for Energy Conversion Technologies and Devices.

Production of high efficiency renewable energy source for sustainable global development is an important challenge for humans. Hydrogen energy systems are one of the key elements for the development of sustainable energy future. These systems are eco-friendly and include devices such as protonic ceramic fuel cells, which require advanced proton-conducting materials.

Thermal Conductivity of FLiNaK in a Molten State.

Although the thermal conductivity of molten salt mixtures is of interest for many potential technological applications, precise values are often hard to obtain. In this study, the thermal diffusivity of FliNaK was studied in a molten state using the laser flash method and found to be very slightly dependent on temperature. The heat capacity of FliNaK was measured using the DSC method.

High-Temperature Passivation of the Surface of Candidate Materials for MSR by Adding Oxygen Ions to FLiNaK Salt.

The problem of tailoring the structural materials for MSR is solved by continuously overcoming the shortcomings of widely used materials and finding new ones. The materials commonly used in engineering may not be applicable for MSR due to their high corrosivity. Experiments were carried out to determine the corrosion rate of stainless steel 12Cr18Ni10Ti with different concentrations of oxide ions (by adding lithium oxide to the melt in the concentration range from 0 to 0.

Dynamic Viscosity of the NaF-KF-NdF Molten System.

The dynamic viscosity (η) of the molten system (NaF-KF)-NdF containing NdF in an amount from 0 to 15 mol.% was studied by rotational viscometry using a high-temperature rheometer, FRS 1600. Viscosity measurements were carried out in the temperature range from liquidus to 1153 K.

Proton Conduction in Acceptor-Doped BaSnO: The Impact of the Interaction between Ionic Defects and Acceptor Impurities.

Barium stannate is known as a promising proton-conducting material for clean energy applications. In this work, we elucidate the effect of the interaction of protons and oxygen vacancies with acceptor impurities on proton conduction in acceptor-doped BaSnO. The analysis relies on our theoretical developments in hydration and proton hopping in proton-conducting perovskites.

Direct Electrophoretic Deposition and Characterization of Thin-Film Membranes Based on Doped BaCeO and CeO for Anode-Supported Solid Oxide Fuel Cells.

In this work, a technology was developed for the formation of BaCeSmO+1 wt% CuO (BCS-CuO)/CeSmO (SDC) thin-film electrolyte membranes for intermediate-temperature solid oxide fuel cells (IT-SOFCs) on porous NiO-BCS-CuO anode substrates using direct electrophoretic deposition (EPD). The effect of increasing the zeta potential when modifying the base suspension of a micro-sized SDC-gn powder (glycine-nitrate method) with the addition of a SDC-lec nanopowder (laser evaporation-condensation) was investigated. Dependences of the current strength on the deposition time and the deposited weight on the EPD voltage were obtained, and evolution of the morphology of the coatings during the modification of the SDC-gn suspension and a suspension of BCS-CuO powder was studied.

Recent Progress in the Design, Characterisation and Application of LaAlO- and LaGaO-Based Solid Oxide Fuel Cell Electrolytes.

Solid oxide fuel cells (SOFCs) are efficient electrochemical devices that allow for the direct conversion of fuels (their chemical energy) into electricity. Although conventional SOFCs based on YSZ electrolytes are widely used from laboratory to commercial scales, the development of alternative ion-conducting electrolytes is of great importance for improving SOFC performance at reduced operation temperatures. The review summarizes the basic information on two representative families of oxygen-conducting electrolytes: doped lanthanum aluminates (LaAlO) and lanthanum gallates (LaGaO).