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Search results for: GAN · DENSITY FUNCTIONAL THEORY · ELECTRONIC PROPERTIES · MAGNETIC PROPERTIES · SPINTRONIC DEVICES
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NEW DESIGNS OF CENTRIFUGAL MAGNETIC FLUID SEALS FOR ROTATING SHAFTS IN MARINE TECHNOLOGY
PublicationThe centrifugal magnetic fluid seals have important advantage over the conventional centrifugal seals. They maintain very good sealing capacity at static, medium and high speeds of shaft rotation, with the increased seal lifetime, and minimum torque and static friction. These seals are particularly useful in cases when the angular shaft velocity varies and sometimes decreases to nearly or exactly zero, such as in flywheel applications,...
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Proton transfer and hydrogen bonds in supramolecular, self-assembled structures of imidazolium silanethiolates. X-ray, spectroscopic and theoretical studies
PublicationThe reaction of 1-methylimidazole, 2-ethyl-4-methylimidazole and 2-ethylimidazole with tris(2,6- diisopropylphenoxy)silanethiol (TDST) leads to the formation of three new salts, which have been characterized by elemental analyses, thermogravimetric analyses, FTIR spectroscopy, and their structures were determined by single-crystal X-ray diffraction. Structural analyses indicate that in all three compounds a proton transfer has...
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A LUMPED-CIRCUIT MODEL OF CIRCULAR PISTON TRANSDUCER FOR MODELING ITS PERFORMANCE IN DUAL FREQUENCY OPERATING MODES
PublicationThe paper presents novel network equivalent circuit of piezoceramic circular disc transducer that takes into account thickness and ra dial mode of vibrations. The starting point of the analysis is 4-port description of circular disc element representing the solution of wave equation set in radial and thickness directions. Th e approximate solution for harmonic case is represented in the form of 4x4 matrix, which is syn thesized...
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Supporting compliance with safety standards by trust case templates
PublicationStandard Compliance (SC) Framework presented in this paper encompasses methods and tools which provide support for application of standards. The framework is based on trust case methodology. A trust case is a data structure which represents a justification that an object (a system, an infrastructure, an organization) exhibits certain properties. It contains an argument and related evidence which support claimed properties. A trust...
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Physical and Thermophysical Properties of 1-Hexyl-1,4-diaza[2.2.2]bicyclooctanium Bis(trifluoromethylsulfonyl)imide Ionic Liquid
PublicationOwing to their unique properties, ionic liquids (ILs) have become a real alternative to organic compounds. Nowadays, ILs are commonly used in a number of areas such as chemical synthesis and separation techniques. However, ionic liquids continue to have a limited applicability in industry because the information on their physical and chemical properties is not readily available. This paper presents, for the first time, the results...
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Succinite, Baltic Amber: A Chemical Masterpiece of Nature
PublicationSuccinite, Baltic amber, is one of the most appreciated fossil resins. Its beauty has fascinated people since prehistoric times. It is a substance, and also gemstone, whose uniqueness is due to its compelling, though still not fully understood, physicochemical nature. In this article, some facts about the physical and chemical properties of succinite in order to find an answer for questions about the unique properties of this resin,...
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Structure versus hydrolytic and thermal stability of bio-based thermoplastic polyurethane elastomers composed of hard and soft building blocks with high content of green carbon
PublicationNowadays, sustainability plays a key role in the design and synthesis of new materials. One of the methods for the preparation of green materials is incorporation into their structure the monomers with a high content of green carbon. Therefore, the aim of this work was to investigate the influence of the type and molecular mass of two bio-based polyester polyols and bio-glycol on the properties of aliphatic partially bio-based...
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A competition between two- and three-body dissociation channels in photo-double-ionization of tetrahydro-2H-pyran and 3,4-dihydro-2H-pyran molecules
PublicationVarious molecules possess structures consisting of the heterocyclic rings containing oxygen atoms. These substances often play a significant role in many different fields of chemistry, medicine, and biology. Due to a specific atomic composition and bond arrangement, many of these molecules retain unique electronic properties, which may be probed by diverse spectroscopic techniques, including those utilizing synchrotron radiation....
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Multi-stage magnetic-fluid seals for operating in water - life test procedure, test stand and research results
PublicationThe edge criteria for magnetic-fluid seals durability research are critical for the seal'stechnological usefulness. The magnetic fluid seal technology in water is much moredifficult technological problem in comparison to gas or vacuum environment. There isalways problem with immediate contact between magnetic fluid and the environmentaluninspected liquids. In the paper are presented ways of experiments definitions carried outwith...
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Bacterial nanocellulose as a microbiological derived nanomaterial
PublicationBacterial nanocellulose (BNC) is a nanofibrilar polymer produced by strains such as Gluconacetobacter xylinus, one of the best bacterial species which given the highest efficiency in cellulose production. Bacterial cellulose is a biomaterial having unique properties such as: chemical purity, good mechanical strength, high flexibility, high absorbency, possibility of forming any shape and size and many others. Such a large number...
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Effect of the Catalytic Center on the Electron Transfer Dynamics in Hydrogen-Evolving Ruthenium-Based Photocatalysts Investigated by Theoretical Calculations
PublicationThe light-induced relaxation pathways in the molecular photocatalyst [(tbbpy)2Ru(tpphz)PtCl2]2+ are investigated with time-dependent density functional theory calculations together with the Marcus theory of electron transfer (ET). The calculations show that metal (Ru) to ligand (tpphz) charge transfer (MLCT) triplet states are populated following an excitation in the longer wavelength range of the absorption spectrum, but that an...
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Integrated Experimental and Theoretical Approach for Efficient Design and Synthesis of Gold-Based Double Halide Perovskites
PublicationApplied cutting-edge electronic structure and phonon simulations provide a reliable knowledge about the stability of perovskite structures and their electronic properties, which are crucial for design of effective nanomaterials. Gold is one of the exceptional elements, which can exist both as a monovalent and a trivalent ion in the B site of a double perovskite such as A2BI BIIIX6. However, until now, electronic properties of Cs2AuI AuIIIX6...
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Polymer electrolytes with ionic liquids
PublicationSolid polymer electrolytes are solutions of salts in the macromolecular polymeric compound. Excellent process ability, flexibility, non-flammability and non-reactivity make them ideal materials for electrochemical devices. The problem in their use is limited conductivity. It increases with increasing salt concentration in the polymer, but at the same time the condition is to increase the glass transition temperature of the polymer...
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Anisotropic Orlicz–Sobolev spaces of vector valued functions and Lagrange equations
PublicationIn this paper we study some properties of anisotropic Orlicz and Orlicz–Sobolev spaces of vector valued functions for a special class of G-functions. We introduce a variational setting for a class of Lagrangian Systems. We give conditions which ensure that the principal part of variational functional is finitely defined and continuously differentiable on Orlicz–Sobolev space.
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Theoretical Assessment of Excited State Gradients and Resonance Raman Intensities for the Azobenzene Molecule
PublicationThe ground state geometries and vibrational frequencies as well as the excitation energies and excited state gradients of the S 1(nπ*) and S 2(ππ * ) states of trans - and cis -azobenzene are investigated by several DFT methods, namely B3LYP, PBE, M06-2X, CAM-B3LYP, and ω B97X. Excited state properties and in particular gradients are also assessed using the wave function based methods EOM-CCSD and RASPT2/RASSCF. Comparison with...
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Microstructure and electrical properties of manganese borosilicate glasses
PublicationThe structure, optical and electrical properties of manganese borosilicate glasses of the composition xMnO–(80 − x)SiO 2 –20B 2 O 3 (x = 40, 50, and 60 mol%) were investigated. The dependence of the glass structure on its composition was discussed and related to electrical properties. A separation of two amorphous phases was observed. It was suggested that one phase is MnO-rich and the other is SiO 2 -rich. It was found that...
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Nanostructures fabrication with use of electrical AFM litography
Open Research DataIn the last 10 years, one of the nanotechnological trends has been observed, consisting in the development of new variants of computer memory systems with high capacity and speed of access, using quantum dots. One of the techniques for creating nanodots and other nanostructures is based on the use of an atomic force microscope acting as a lithographic...
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Applying of Doped Graphene Oxide Coatings for Corrosion Prevention
PublicationINTRODUCTION Graphene is a carbonaceous material characterized by extraordinary properties (high electron mobility, high surface area, high mechanical strength of 1100 GPa, very dense network hindering the passage of even the smallest helium atoms) [1]. Therefore, it found many applications, also as an anti-corrosive layer [2]. Electrophoretic Deposition (EPD) is one of the methods to deposit coatings. However, due to slight solubility...
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An electric ring thruster as auxiliary manoeuvring propulsion system for watercraft - construction analysis
PublicationThe reported project aimed at examining properties and purposefulness of use of modern electromagneticbearings for a screw propeller in a prototype version of a synchronous ring motor with rare earths magnets.Bearings of this type generate electromagnetic forces which keep the rotor in a state of levitation. Therotating machine with magnetic bearings can work in any environment which reveals diamagnetic properties(air, vacuum,...
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Chemical, Physical, and Mechanical Properties of 95-Year-Old Concrete Built-In Arch Bridge
PublicationThis research aimed to determine the durability and strength of an old concrete built-in arch bridge based on selected mechanical, physical, and chemical properties of the concrete. The bridge was erected in 1925 and is located in Jagodnik (northern Poland). Cylindrical specimens were taken from the side ribs connected to the top plate using a concrete core borehole diamond drill machine. The properties of the old concrete were...
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GTR/NBR/Silica Composites Performance Properties as a Function of Curing System: Sulfur versus Peroxides
PublicationIn this work, conventional sulfur and two types of organic peroxides (dicumyl peroxide (DCP) and di-(2-tert-butyl-peroxyisopropyl)-benzene (BIB)) curing systems were used to investigate the possibility for tailoring of the performance properties of GTR/NBR blends reinforced with a variable content of highly dispersive silica (0–30 phr). The curing characteristics, static mechanical and acoustical properties, swelling behavior,...
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Interfacial adhesion evaluation in (low-density polyethylene)/elastomer blends
PublicationLow-density polyethylene (LDPE) with different elastomers at a ratio of 50/50 wt% blends was prepared by using a co-rotating twin-screw extruder. Three kinds of elastomers were used: ground tire rubber (GTR), partially crosslinked butyl rubber (KalarVR ), and styrenebutadiene- rubber block copolymer (SBS; KratonVR ). For better characterization of interaction between polyethylene and elastomer, influence of the type of elastomer on...
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Curing characteristics, mechanical and thermal properties of reclaimed ground tire rubber cured with various vulcanizing systems
PublicationGround tire rubber was thermo-mechanical reclaimed at 120 °C using a co-rotating twin screw extruder. The effect of vulcanizing system type on curing characteristics, static mechanical properties (tensile strength, elongation-at-break, hardness and resilience), dynamic mechanical properties and thermal properties of reclaimed ground tire rubber was investigated. Reclaimed rubber was cured using different types of vulcanization...
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The study on application of biopolyols obtained by cellulose biomass liquefaction performed with crude glycerol for the synthesis of rigid polyurethane foams
PublicationIn this work rigid polyurethane foams (PUR) were obtained by replacement of 0–70 wt% of petrochemical polyol with bio-polyol obtained via cellulose liquefaction in presence of crude glycerol. The foams with different content of a bio-polyol were prepared by single step method for NCO/OH ratio equals 1.5. The prepared materials were analyzed in terms of their morphology, chemical structure, thermal stability and basic physical and...
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Influence of Surface-Modified Montmorillonite Clays on the Properties of Elastomeric Thin Layer Nanocomposites
PublicationIn recent years, polyurethane nanocomposites have attracted more attention due to the massive demand for materials with increasingly exceptional mechanical, optical, electrical, and thermal properties. As nanofillers have a high surface area, the interaction between the nanofiller and the polymer matrix is an essential issue for these materials. The main aim of this study is to validate the impact of the montmorillonite nanofiller...
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Symmetrical and unsymmetrical diphosphanes with diversified alkyl, aryl and amino substituents
PublicationWe present the comprehensive study of diphosphanes with diversified substituents regarding their syntheses, structures, and properties. To this end, we have synthesized a series of novel unsymmetrical alkyl, aryl and amino-substituted diphosphanes of the general formula R1R2P-PR3R4 (where R1, R2, R3, R4 = tBu, Ph, Et2N or iPr2N) via salt metathesis reactionof halophosphanes with metal phosphides in high yield. We vastly expanded...
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Investigation of praseodymium and samarium co-doped ceria as an anode catalyst for DIR-SOFC fueled by biogas
PublicationThe Pr and Sm co-doped ceria (with up to 20 mol.% of dopants) compounds were examined as catalytic layers on the surface of SOFC anode directly fed by biogas to increase a lifetime and the efficiency of commercially available DIR-SOFC without the usage of an external reformer. The XRD, SEM and EDX methods were used to investigate the structural properties and the composition of fabricated materials. Furthermore, the electrical...
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Solvation of ionic liquids based on N -methyl- N -alkylmorpholinium cations in N,N -dimethylformamide and N,N -dimethylacetamide – Volumetric and compressibility studies
PublicationDensity and sound velocity of the solutions of ionic liquids based on N-alkyl-N-methyl- morpholinium cations: N-ethyl- -methylmorpholinium bis(trifluoromethanesulfonyl)imide, N-butyl-Nmethylmorpholinium bis(trifluoromethanesulfonyl)imide, N-octyl-N-methyl -morpholinium bis(trifluor omethanesulfonyl)imide and N-decyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide in N, N-dimethylformamide and N,N-dimethylacetamide were...
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Deposition and Electrical and Structural Properties of La0.6Sr0.4CoO3 Thin Films for Application in High-Temperature Electrochemical Cells
PublicationLow-temperature deposition of electroceramic thin films allows the construction of new devices and their integration with existing large-scale fabrication methods. Developing a suitable low-cost deposition method is important to further advance the development of microdevices. In this work, we deposited a 1-lm-thick La0.6Sr0.4CoO3d (LSC) perovskite with high electrical conductivity on sapphire substrates at 400C and analyzed its...
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Ferrofluids based analytical extractions and evaluation of their greenness
PublicationFerrofluids are stable dispersions of magnetic nanoparticles in a carrier liquid. They have attracted considerable attention in analytical extractions as they combine fluid-like properties with magnetic character, providing magnetic control over the extraction process. The synthesis of ferrofluids is very straightforward, and it generally involves the preparation of magnetic nanoparticles, their coating, and then mixing in a suitable...
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The study of acoustic climate of the Southern Baltic
PublicationThis paper presents the statistical characteristics of seawater properties, which are necessary for predicting the propagation of acoustic waves in selected areas of the Baltic Sea. The statistics were elaborated based on long-term measurements of vertical distributions of sound speed, temperature, and salinity, and the nonlinearity parameter B/A. Nonlinear properties of the environment are considered, in connection...
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Power balance in hydraulic satellite motors supplied with oil and HFA-E emulsion
PublicationMineral oil and HFA-E emulsion are liquids which differ in viscosity, density and lubricant properties. Therefore, supplying hydraulic satellite motors with these liquids, differences between quantity of hydraulic, volumetric and mechanical losses are observed. These losses influence efficiency of conversion of hydraulic energy into mechanical energy and thereby power balance of motors.
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Mutually polarizable QM/MM model with in situ optimized localized basis functions
PublicationWe extend our recently developed quantum-mechanical/molecular mechanics (QM/MM) approach [Dziedzic et al., J. Chem. Phys. 145, 124106 (2016)] to enable in situ optimization of the localized orbitals. The quantum subsystem is described with ONETEP linear-scaling density functional theory and the classical subsystem – with the AMOEBA polarizable force field. The two subsystems interact via multipolar electrostatics and are fully...
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Simplified Approach for Broadband RF Testing of Low Loss Magneto-Dielectric Samples
PublicationIn this paper, an attractive measurement techniqueis proposed to retrieve the broadband permittivity and permeabil-ity of the magneto-dielectric materials. The proposed techniqueis quite novel which mitigates the major problems associatedwith the conventional broadband RF material characterizationtechniques such as numerical instability and phase uncertaintywhen the length of the sample exceeds...
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A Comprehensive Experimental and Theoretical Study on the[{(η5-C5H5)2Zr[P(µ-PNEt2)2P(NEt2)2P]}2O Crystalline System
PublicationThe structure of tetraphosphetane zirconium complex C52H100N8OP10Zr21 was determined by single crystal X-ray diffraction analysis. The crystal belongs to the monoclinic system, space group P21/c, with a = 19.6452(14), b = 17.8701(12), c = 20.7963(14)Å, α = γ = 90°, β = 112.953(7)°, V = 6722.7(8)Å3, Z = 4. The electronic structure of the organometallic complex has been characterized within the framework of Quantum Chemical Topology....
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TEORIA DECYZYJNYCH PROCESÓW SEMI-MARKOWA I JEJ ZASTOSOWANIE W PROJEKTOWANIU I EKSPLOATACJI OKRĘTOWYCH SILNIKÓW GŁÓWNYCH I INNYCH URZĄDZEŃ SIŁOWNI OKRĘTOWYCH
PublicationW referacie zaprezentowano znaczenie teorii procesów semi-Markowa w naukach technicznych, zwłaszcza w teorii niezawodności urządzeń technicznych, teorii bezpieczeństwa ich działania oraz statystycznej teorii podejmowania decyzji eksploatacyjnych. W referacie wyeksponowano także przydatność teorii procesów semi-Markowa w teorii i praktyce eksploatacji wspomnianych urządzeń technicznych na przykładzie tak istotnych urządzeń w transporcie...
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ZnO coated fiber optic microsphere sensor for the enhanced refractive index sensing
PublicationOptical fiber-based sensors are expected to become key components in the control of industrial processes,and the tuning and the enhancement of their sensing properties are crucial for the further developmentof this technology. Atomic Layer Deposition (ALD), a vapor phase technique allowing for the deposition ofconformal thin films, is particularly suited for the deposition of controllable thin films on challenging sub-strates....
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Saccharides
PublicationSaccharides are widely distributed in nature as the major component of fruits and vegetables (primarily monosaccharides), milk and malt (mainly disaccharides), and grains (mostly polysaccharides). They are an important source of energy, structural material, as well as flavor and taste factors. Molecules of this class of compounds contain mainly carbon, hydrogen, and oxygen atoms; however, most natural saccha- rides do not have...
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Isostructural zinc and cadmium silanethiolates with bridging biimidazole co-ligands – Enhanced luminescence of zinc complex
PublicationTwo dinuclear complexes of zinc and cadmium with silanethiolate and bridging biimidazole ligands are characterized by X-ray diffraction, FT-IR, UV–Vis and emission spectroscopies. The complexes 1 (Zn) and 2 (Cd) are isostructural but exhibit different electronic structures and different character of frontier HOMO orbitals as indicated by DFT calculations. Lluminescence studies prove strong emission properties of zinc complex.
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Organic photovoltaics - chosen aspects
PublicationThere are many types of organic and organic/inorganic (hybrid) photovoltaic devices that possess many beneficial properties over inorganic solar cells. That makes the former suitable for a broad range of applications and hence so much attention is paid to their development. In spite of intensive research carried on this field of science and technology there are still many crucial problems that need to be solved. Extensive knowledge...
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rigid polyurethane foams modified with selected nanofillers
PublicationThe nanofillers: natural montmoryllonite (MMT) - Bentonite, natural MMT modified with a quaternary ammonium salt - Cloisite30B, has been used in rigid polyurethane foams (PUFs). The influence of fillers amounts on processing parameters, physical-mechanical properties (density, water absorption, brittleness and compression strength) and thermal properties (thermal stability, fire behaviours) of such foams has been analysed. The...
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Application of wet powder spraying for anode supported solid oxide fuel cell with a perowskite SrTi0.98Nb0.02O3-d anode
PublicationAnode-supported solid oxide fuel cell with SrTi0.98Nb0.02O3–d anode, yttria-stabilized zirconia electrolyte and La(Ni0.6Fe0.4) O3d cathode has been successfully fabricated and evaluated. Process of anode support fabrication has been presented. Wet powder spraying and high temperature sintering method have been studied and applied to deposit the thin electrolyte layer.In order to improve catalytic properties of the anode, it has...
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Density functional LCAO calculations of vibrational modes and phonon density of states in the strained single-layer phosphorene
PublicationThe paper presents an investigation of phosphorene under axial strain on the phonon density of states and vibrational modes. The studies were performed by means of density functional theory (DFT) within the linear combination of atomic orbitals (LCAO). The strained models were constructed using optimised supercell techniques. The vibrational mode spectra were estimated for strains applied for both the zigzag and armchair directions...
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Study of Integer Spin S = 1 in the Polar Magnet β-Ni(IO3)2
PublicationPolar magnetic materials exhibiting appreciable asymmetric exchange interactions can potentially host new topological states of matter such as vortex-like spin textures; however, realizations have been mostly limited to half-integer spins due to rare numbers of integer spin systems with broken spatial inversion lattice symmetries. Here, we studied the structure and magnetic properties of the S = 1 integer spin polar magnet β-Ni(IO3)2...
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On Applications of Fractional Derivatives in Circuit Theory
PublicationIn this paper, concepts of fractional-order (FO) derivatives are discussed from the point of view of applications in the circuit theory. The properties of FO derivatives required for the circuit-level modelling are formulated. Potential problems related to the generalization of transmission line equations with the use of FO derivatives are presented. It is demonstrated that some of formulations of the FO derivatives have limited...
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Few-Layer Black Phosphorus/Chitosan Nanocomposite Electrodes via Controlled Electrodeposition for Enhanced Electrochemical Kinetic Performance
PublicationThis study presents the preparation and characterization of few-layer black phosphorus (FLBP) chitosan electrodes by controlled electrochemical deposition of chitosan nanoparticles on FLBP-modified glassy carbon electrodes. FLBP was prepared by solvent-assisted exfoliation of bulk BP and was further modified with chitosan forming together a nanocomposite, including easy cross-linking with nanomaterials and film-forming properties....
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New kagome prototype materials: discovery of KV3Sb5, RbV3Sb5, and CsV3Sb5
PublicationIn this work, we present our discovery and characterization of a new kagome prototype structure, KV3Sb5. We also present the discovery of the isostructural compounds RbV3Sb5 and CsV3Sb5. All materials exhibit a structurally perfect two-dimensional kagome net of vanadium. Density-functional theory calculations indicate that the materials are metallic, with the Fermi level in close proximity to several Dirac points. Powder and single-crystal...
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Theoretical Investigation of the Electron-Transfer Dynamics and Photodegradation Pathways in a Hydrogen-Evolving Ruthenium-Palladium Photocatalyst
PublicationTime-dependent density functional theory calcula- tions combinedwith the Marcus theory of electron transfer (ET) were app lied on the molecular photocatalys t [(tbbpy) 2 Ru(tpph z)PdC l 2 ] 2 + in order to elucidate thelight-in- duced relaxation pathways populated upon excitation in the longer wavelength range of its absorption spectrum. The computational resultsshow that after the initial excitation, metal (Ru) to ligand (tpphz)chargetransfer...
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Mechanism of Li nucleation at graphite anodes and mitigation strategies
PublicationLithium metal plating is a critical safety issue in Li-ion cells with graphite anodes, and contributes significantly to ageing, drastically limiting the lifetime and inducing capacity loss. Nonetheless, the nucleation mechanism of metallic Li on graphite anodes is still poorly understood. But in-depth understanding is needed to rationally design mitigation measures. In this work, we conducted FirstPrinciples studies to elucidate...
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Statistical evaluation of physical and index properties of Vistula Marshlands deltaic soft soils
PublicationThis paper provides statistical evaluation of physical and index parameters of the Vistula Marshlands deltaic soft soils using three datasets. Soft soils from the Vistula Marshlands are grouped into the four categories: (1) silty/sandy loams, (2) organic clays, (3) organic silts and (4) peats. Variability of basic and derivative physical properties as well as Atterberg's limits and plasticity index is studied. It is found that...