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Institute of Nanotechnology and Materials Engineering
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Catalog Publications
Year 2021
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Effect of heat treatment on the diffusion intermixing and structure of the Cu thin film on Si (111) substrate: a molecular dynamics simulation study
PublicationThis work is devoted to the study of the diffusion process at the interface between copper films with a thickness of 2, 3, 4, 7 and 10 atomic monolayers and silicon substrate by molecular dynamics simulation method. For this purpose, the variation of the concentration of copper and silicon along the perpendicular direction to the interface was investigated. An analysis of the density profile along this direction made it possible...
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Effect of synthesis method parameters on properties and photoelectrocatalytic activity under solar irradiation of TiO2 nanotubes decorated with CdS quantum dots
PublicationThe growing research interest on photoelectrocatalysis has encouraged the search for new materials with high activity and the development of methods for their synthesis. The successive ionic layer adsorption and reaction (SILAR) method is an effective way to synthesize materials with photoelectrocatalytic (PEC) properties that are active under visible radiation. Therefore, studies on the impact of the parameters of the SILAR method...
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Effects of Surface Pretreatment of Titanium Substrates on Properties of Electrophoretically Deposited Biopolymer Chitosan/Eudragit E 100 Coatings
PublicationThe preparation of the metal surface before coating application is fundamental in determining the properties of the coatings, particularly the roughness, adhesion, and corrosion resistance. In this work, chitosan/Eudragit E 100 (chit/EE100) were fabricated by electrophoretic deposition (EPD) and both their microstructure and properties were investigated. The present research is aimed at characterizing the effects of the surface...
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Electrochemistry from first-principles in the grand canonical ensemble
PublicationProgress in electrochemical technologies, such as automotive batteries, supercapacitors, and fuel cells, depends greatly on developing improved charged interfaces between electrodes and electrolytes. The rational development of such interfaces can benefit from the atomistic understanding of the materials involved by first-principles quantum mechanical simulations with Density Functional Theory (DFT). However, such simulations are...
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Electrophoretically Deposited Chitosan/Eudragit E 100/AgNPs Composite Coatings on Titanium Substrate as a Silver Release System
PublicationDue to the possibility of bacterial infections occurring around peri-implant tissues, it is necessary to provide implant coatings that release antibacterial substances. The scientific goal of this paper was to produce by electrophoretic deposition (EPD) a smart, chitosan/Eudragit E 100/silver nanoparticles (chit/EE100/AgNPs) composite coating on the surface of titanium grade 2 using different deposition parameters, such as the...
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Emerging oxidized and defective phases in low-dimensional CrCl3
PublicationTwo-dimensional (2D) magnets such as chromium trihalides CrX3 (X ¼ I, Br, Cl) represent a frontier for spintronics applications and, in particular, CrCl3 has attracted research interest due its relative stability under ambient conditions without rapid degradation, as opposed to CrI3. Herein, mechanically exfoliated CrCl3 flakes are characterized at the atomic scale and the electronic structures of pristine, oxidized, and defective...
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Enhanced photocatalytic activity of accordion-like layered Ti3C2 (MXene) coupled with Fe-modified decahedral anatase particles exposing {1 0 1} and {0 0 1} facets
PublicationNew composites consisting of decahedral anatase particles exposing {001} and {101} facets coupled with accordion-like layered Ti3C2 with boosted photocatalytic activity towards phenol and carbamazepine degradation were investigated. The photocatalysts were characterized with X-ray diffraction (XRD), diffuse reflectance spectroscopy (DR/UV–Vis), Brunauer-Emmett-Teller (BET) specific surface area, Raman spectroscopy, scanning electron...
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Fluorine ions in photocatalysts’ synthesis: an obstacle or an ally? The investigation of photocatalysts in Ti-O-F system
PublicationTitanium(IV) oxide (TiO2) is one of the most promising photocatalysts, which is expected to be applied in the photocatalytic degradation of xenobiotics. For sustainable development and green chemistry approach recently, much effort has been paid to enhance TiO2 photocatalytic activity in UV-vis light by modifying its structure. The photocatalytic process’s complexity cannot be simply described as electron-hole pairs generations...
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Free-standing TiO2 nanotubes decorated with spherical nickel nanoparticles as a cost-efficient electrocatalyst for oxygen evolution reaction
PublicationHere, we report significant activity towards the oxygen evolution reaction (OER) of spherical nickel nanoparticles (NPs) electrodeposited onto free-standing TiO2 nanotubes (TNT) via cyclic voltammetry. It has been shown that simple manipulation of processing parameters, including scan rate and number of cycles, allows for formation of the NPs in various diameters and amounts. The polarization data with respect to transmission electron...
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From Structure to Luminescent Properties of B2O3-Bi2O3-SrF2 Glass and Glass-Ceramics Doped with Eu3+ Ions
PublicationGlass-ceramics with the composition B2O3 -Bi2O3 -SrF2 were synthesized by the conventional melt-quenching technique and subsequent crystallization of the parental glasses. The temperature at which the ceramization was carried out was selected based on differential scanning calorimetry (DSC) analysis. The structure of the studied materials and the formation of SrF2 nanocrystals were confirmed by the Fourier-transform infrared spectroscopy...
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Future Directions in Quantum Materials Synthesis
PublicationThe following sections are included: Introduction The Current State of the Art The Frontiers Exploring the Frontiers Conclusion
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Glass-ceramic sealants and steel interconnects: accelerated interfacial stability and reactivity tests at high temperature
PublicationHigh-temperature reactions between glass-ceramic sealants and Fe-Cr alloy interconnects may lead to the formation of undesirable phases, and consequently degradation of solid oxide fuel/electrolyser devices. In this work, three different glass-ceramic sealants (Na-containing, Ba-containing, Sr-containing compositions) and Fe22Cr stainless steel powders (raw and pre-oxidised) are considered in order to test their chemical reactivity...
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Group-9 Transition-Metal Suboxides Adopting the Filled-Ti2Ni Structure: A Class of Superconductors Exhibiting Exceptionally High Upper Critical Fields
PublicationTi2Ni and the related η-carbide structure are known to exhibit various intriguing physical properties. The Ti2Ni structure with the cubic space group Fd3̅m is surprisingly complex, consisting of a unit cell with 96 metal atoms. The related η-carbide compounds correspond to a filled version of the Ti2Ni structure. Here, we report on the structure and superconductivity in the η-carbide-type suboxides Ti4M2O with M = Co, Rh, and Ir....
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High temperature corrosion evaluation and lifetime prediction of porous Fe22Cr stainless steel in air in temperature range 700–900 °C
PublicationThis work describes a high temperature corrosion kinetics study of ~30% porous Fe22Cr alloys. The surface area of the alloy (~0.02 m2 g-1) has been determined by tomographic microscopy. The weight gain of the alloys was studied by isothermal thermogravimetry in the air for 100 hours at 700 - 900 °C. Breakaway oxidation was observed after oxidation at 850 °C (~100 hours) and 900 °C (~30 hours). The lifetime prediction shows the...
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High temperature proton conduction in LaSbO4
PublicationLanthanum orthoantimonate was synthesized using a solid‐state synthesis method. To enhance the possible protonic conductivity, samples with the addition of 1 mol% Ca in La‐site, were also prepared. The structure was studied by the means of X‐ray diffraction, which showed that both specimens were single phase. The materials crystallized in the space group P2 1 /n. Dilatometry revealed that material expands non‐linearly with the...
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Highly Oriented Zirconium Nitride and Oxynitride Coatings Deposited via High‐Power Impulse Magnetron Sputtering: Crystal‐Facet‐Driven Corrosion Behavior in Domestic Wastewater
PublicationHerein, highly crystalline ZrxNy and ZrxNyOz coatings are achieved by the deposition via high‐power impulse magnetron sputtering. Various N2 and N2/O2 gas mixtures with argon are investigated. The chemical composition and, as a result, mechanical properties of the deposited layer can be tailored along with morphological and crystallographic structural changes. The corrosion resistance behavior is studied by potentiodynamic measurements...
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Ho2Pd1.3Ge2.7 – a ternary AlB2-type cluster glass system
PublicationWe report a successful synthesis of a ternary AlB2-type intermetallic compound. The phase purity was obtained by fine-tuning the Pd-Ge ratio out of the idealized 1-3. Attempts to synthesize an Er analogue were not successful. We discuss the instability of the Er analogue based on the atomic size ratio and also suggest that the increased stability of Ho2Pd1+xGe3−x in the Pd-rich range likely stems from a combination of atomic size...
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Influence of Annealing Atmospheres on Photoelectrochemical Activity of TiO2 Nanotubes Modified with AuCu Nanoparticles
PublicationIn this article, we studied the annealing process of AuCu layers deposited on TiO2 nanotubes (NTs) conducted in various atmospheres such as air, vacuum, argon, and hydrogen in order to obtain materials active in both visible and UV–vis ranges. The material fabrication route covers the electrochemical anodization of a Ti plate, followed by thin AuCu film magnetron sputtering and further thermal treatment. Scanning electron microscopy...
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Influence of plasmon resonance on the luminescence of titanium dioxide thin films doped with rare earth ions
PublicationIn this work the study of the optical properties of europium doped titanium dioxide thin films (TiO2:Eu) enhanced by gold plasmonic nanostructures are presented. Plasmonic platforms were manufactured by thermal annealing of thin film of Au, deposited on a Corning glass substrate. As a result of thermal treatment, gold spherical nanostructures with average dimensions of 50 nm were obtained. Luminescent TiO2:Eu film was deposited...
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Investigation of energy deposition and its optical imaging in polymer gel dosimeters
PublicationThis following chapter describes methods for verifying the absorbed dose during radiotherapy. Special attention is paid to the method using polymer-gel dosimeters, the dose reading of which is performed by means of Laser Computed Tomography. The chapter also includes considerations on alternative solutions for dosimetric measurements and various types of radiotherapy and their pros and cons. In addition, both the methods of structural...
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Kinetic analysis of the reduction of a ternary system of Bi, Sb and Te oxides by hydrogen for BiSbTe3 synthesis
PublicationReduction in a hydrogen atmosphere of Bi2O3, Sb2O3 and TeO2 mixes oxides for the synthesis of BiSbTe3 was analysed. The reduction reactions of Sb2O3 and Sb2O4 oxides, as well as Bi2O3+Sb2O3 and Sb2O3+3TeO2 mix- tures, were also evaluated. The reduction of Sb2O4 is investigated for the first time. The reactions of the mixed oxides systems also were not the subject of research so far despite being used for synthesis of the (Bi,Sb)2Te3...
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Large Hall and Nernst responses from thermally induced spin chirality in a spin-trimer ferromagnet
PublicationThe long-range order of noncoplanar magnetic textures with scalar spin chirality (SSC) can couple to conduction electrons to produce an additional (termed geometrical or topological) Hall effect. One such example is the Hall effect in the skyrmion lattice state with quantized SSC. An alternative route to attain a finite SSC is via the spin canting caused by thermal fluctuations in the vicinity of the ferromagnetic ordering transition....
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Laser-assisted approach for improved performance of Au-Ti based glucose sensing electrodes
PublicationThis paper focuses on the synthesis route and electrochemical properties of electrocatalytic material based on gold nanoparticles (NPs) embedded in a structured titanium template obtained via optimized anodization, chemical etching and laser processing. SEM inspection reveals the presence of Au NPs (60–90 nm in diameter) sited in the titanium foil cavities. Performed electrochemical measurements enable nomination of the set of working...
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Massively parallel linear-scaling Hartree–Fock exchange and hybrid exchange–correlation functionals with plane wave basis set accuracy
PublicationWe extend our linear-scaling approach for the calculation of Hartree–Fock exchange energy using localized in situ optimized orbitals [Dziedzic et al., J. Chem. Phys. 139, 214103 (2013)] to leverage massive parallelism. Our approach has been implemented in the ONETEP (Order-N Electronic Total Energy Package) density functional theory framework, which employs a basis of non-orthogonal generalized Wannier functions (NGWFs) to achieve...
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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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MgPd2Sb : A Mg-based Heusler-type superconductor
PublicationWe report the synthesis and physical properties of a full Heusler compound, MgPd2Sb, which we found toshow superconductivity belowTc=2.2K. MgPd2Sb was obtained by a two-step solid-state reaction methodand its purity and cubic crystal structure [Fm-3m,a=6.4523(1) Å] were confirmed by powder x-ray diffrac-tion. Normal and superconducting states were studied by electrical resistivity, magnetic susceptibility, andheat...
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Microstructural Design of Ba0.5La0.5Co0.5Fe0.5O3 Perovskite Ceramics
PublicationBa0.5La0.5Co0.5Fe0.5O3 was synthesized in the solid-state reaction route. The influence of ball milling parameters (such as milling media size, angular velocity, and time), pelletizing pressure, and annealing parameters on the microstructure was studied. The grain size distribution and density or specific surface area changes were investigated in each approach while the individual parameters were changed. The evaluation of BLCF...
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Morphology Regulation Mechanism and Enhancement of Photocatalytic Performance of BiOX (X = Cl, Br, I) via Mannitol-Assisted Synthesis
PublicationBiOX (X = Cl, Br, I) photocatalysts with dominant (110) facets were synthesized via a mannitol-assisted solvothermal method. This is the first report on the exposed (110) facets-, size-, and defects-controlled synthesis of BiOX achieved by solvothermal synthesis with mannitol. This polyol alcohol acted simultaneously as a solvent, capping agent, and/or soft template. The mannitol concentration on the new photocatalysts morphology...
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Multi-Technique Investigation of Grave Robes from 17th and 18th Century Crypts Using Combined Spectroscopic, Spectrometric Techniques, and New-Generation Sequencing
PublicationThe textile fragments of the funeral clothes found in the 17th and 18th century crypts were subjected to spectroscopic, spectrometric, and microbial investigation. The next-generation sequencing enabled DNA identification of microorganisms at the genus and in five cases to the species level. The soft hydrofluoric acid extraction method was optimized to isolate different classes of dyes from samples that had direct contact with...
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Partial inhibition of borohydride hydrolysis using porous activated carbon as an effective method to improve the electrocatalytic activity of the DBFC anode
PublicationCarbon materials are commonly used catalyst supports in various types of fuel cells. Due to the possibility of designing their properties, they seem to be attractive and functional additives. In Direct Borohydride Fuel Cells (DBFCs), the electrooxidation reaction of borohydride competes with the undesirable hydrolysis reaction, therefore our work aimed to modify anodes based on a multi-component hydrogen storage alloy with a small...
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Performance of a new commercial high-definition 3D patient specific quality assurance system for CyberKnife robotic radiotherapy and radiosurgery
PublicationConventional two dimensional and low-definition measurement techniques for dosimetric verification of radiotherapy treatment deliveries are no longer adequate in the era of hypofractionation and extremely high dose gradients. New quality assurance (QA) tools with 3D capability and high definition are urgently needed. The purpose of this study was to evaluate the performance of one of the first such commercial systems as applied...
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Plasmon-enhanced photoluminescence from TiO2 and TeO2 thin films doped by Eu3+ for optoelectronic applications
PublicationIn this work we study the luminescence properties of europium-doped titanium dioxide and tellurium oxide thin films enhanced by gold plasmonic nanostructures. We propose a new type of plasmon structure with an ultrathin dielectric film between plasmonic platform and luminescent material. Plasmonic platforms were manufactured through thermal annealing of the gold thin film. Thermal dewetting of gold film results in spherical gold...
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Polytypism and superconductivity in the NbS2 system
PublicationWe report on the phase formation and the superconducting properties in the NbS2 system. Specifically, we have performed a series of standardized solid-state syntheses in this system, which allow us to establish a comprehensive synthesis map for the formation of the two polytypes 2H-NbS2 and 3R-NbS2, respectively. We show that the identification of two polytypes by means of X-ray diffraction is not always unambiguous. Our physical...
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Potential Skyrmion Host Fe(IO3)3: Connecting Stereoactive Lone-Pair Electron Effects to the Dzyaloshinskii-Moriya Interaction
PublicationMagnetic skyrmions, which are topologically distinct magnetic spin textures, are gaining increased attention for their unique physical properties and potential applications in spintronic devices. Here we present a design strategy for skyrmion host candidates based on combinations of magnetic spin, asymmetric building units having stereoactive lone-pair electrons, and polar lattice symmetry. To demonstrate the viability of the proposed...
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Properties of Barium Cerate-Zirconate Thin Films
PublicationIn this work, we review several experimental results showing the electrical properties of barium cerate-zirconate thin films and discuss them in view of the possible influence of various factors on their properties. Most of the presented Ba(Ce, Zr, Y)O3 thin films were formed by the pulsed laser deposition (PLD) technique, however thin films prepared using other methods, like RF magnetron sputtering, electron-beam deposition, powder...
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Prototype design and development of low-load-roof photovoltaic modules for applications in on-grid systems
PublicationFour prototypes of lightweight photovoltaic modules for applications in on-grid systems have been designed, developed, manufactured and tested for compliance with relevant IEC standards. Selected, commercially available materials characterized by thermogravimetry, differential scanning calorimetry, dilatometry, scanning electron microscopy and nanoindentation technique were used in frameless, adhesively-bonded sandwich-structures...
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Rapid development of the photoresponse and oxygen evolution of TiO2 nanotubes sputtered with Cr thin films realized via laser annealing
PublicationRecently, earth abundant transition metal oxides have gained particular attention as potential catalyst candidates due to their availability and low-cost comparing to substrates containing precious Pt or Au species. Herein, we present characterization of morphology, structure and electrochemical properties of pulsed 532 nm laser treated TiO2 nanotubes (NT) sputtered by the thin film of chromium. Scanning electron microscopy enables...
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Recovery of Valuable Materials and Methods for Their Management When Recycling Thin-Film CdTe Photovoltaic Modules
PublicationDue to the development of new photovoltaic technologies, there is a need to research new recycling methods for these new materials. The recovery of metals from photovoltaic (PV) modules would reduce the consumption of raw materials. Therefore, the development of recycling technologies for used and damaged modules of newer generations is important for environmental reasons. The aim of the research is to shed light on the nature...
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Scheelite-Type Wide-Bandgap ABO4 Compounds (A = Ca, Sr, and Ba; B = Mo and W) as Potential Photocatalysts for Water Treatment
PublicationIn the present study, alkaline-earth metal scheelite-type compounds ABO4 (A = Ca, Sr, Ba, B = Mo, W) synthesized by a hydrothermal method were systematically studied. The as-obtained photocatalysts were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), Brunauer-Emmett-Teller surface area analysis (BET), UV–Vis diffuse reflectance spectroscopy (DR/UV-Vis), photoluminescence, and thermoluminescence (TL)...
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Solvothermal growth of {0 0 1} exposed anatase nanosheets and their ability to mineralize organic pollutants. The effect of alcohol type and content on the nucleation and growth of TiO2 nanostructures
PublicationHerein, the series of {0 0 1} exposed anatase nanosheets from HF-assisted solvothermal growth synthesis were obtained. The two-dimensional TiO2 were characterized, including both bulk (XRD, DR-UV–Vis, Mott-Schottky) and surface characteristics (N2 sorption, XPS, SEM) with experimental results compiled with Density Functional Theory (DFT) calculations. The effect of alcohol amount and type was studied, demonstrating the crucial...
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Spectacular Oxygen Evolution Reaction Enhancement through Laser Processing of the Nickel‐Decorated Titania Nanotubes
PublicationThe selective, laser‐induced modification of the nickel‐decorated titania nanotubes provides remarkable enhancement toward oxygen evolution reaction. Particularly, the irradiation of the laterally spaced crystalline TiO2 nanotubes, results in the formation of the tight closure over irradiated end, preserving their hollow interior. The shape of the absorbance spectra is modulated along with applied energy, and the new absorption...
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Spectacular Oxygen Evolution Reaction Enhancement Through Laser Processing of the Nickel-Decorated Titania Nanotubes
PublicationThe selective, laser-induced modification of the nickel-decorated titania nanotubes provides remarkable enhancement toward oxygen evolution reaction. Particularly, the irradiation of the laterally spaced crystalline TiO2 nanotubes, results in the formation of the tight closure over irradiated end, preserving their hollow interior. The shape of the absorbance spectra is modulated along with applied energy, and the new absorption...
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Spin and Orbital Effects on Asymmetric Exchange Interaction in Polar Magnets: M(IO3)2 (M = Cu and Mn)
PublicationMagnetic polar materials feature an astonishing range of physical properties, such as magnetoelectric coupling, chiral spin textures, and related new spin topology physics. This is primarily attributable to their lack of space inversion symmetry in conjunction with unpaired electrons, potentially facilitating an asymmetric Dzyaloshinskii–Moriya (DM) exchange interaction supported by spin–orbital and electron–lattice coupling. However,...
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SrCe0.9In0.1O3-δ-based reversible symmetrical Protonic Ceramic Cell
PublicationIn-doped SrCe0.9In0.1O3-δ (SCI) perovskite-type oxide is utilized as the solid electrolyte, as well as a component, together with SrFe0.75Mo0.25O3-δ (SFM) compound, in the composite-type electrodes to construct symmetrical Protonic Ceramic Fuel Cells (PCFC). With good mutual stability of SCI and SFM at high temperatures in water vapor-containing reducing and oxidizing conditions, as well as sufficient ionic conductivity with high...
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Strong-coupling superconductivity of SrIr2 and SrRh2 : Phonon engineering of metallic Ir and Rh
PublicationExperimental and theoretical studies on superconductivity in SrIr2 and SrRh2 Laves phases are presented. The measured resistivity, heat capacity, and magnetic susceptibility confirm the superconductivity of these compounds with Tc = 6.07 and 5.41 K, respectively. Electronic structure calculations show that the Fermi surface is mostly contributed by 5d (4d) electrons of Ir (Rh), with Sr atoms playing the role of electron donors....
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Structure and transport properties of donor-doped barium strontium cobaltites
PublicationIn this work, Nb-substituted barium strontium cobaltites Ba0.5Sr0.5Co1-xNbxO3-δ (x = 0 – 0.4) have been fabricated and studied. The structural analysis showed that the Nb content influences the lattice constant as well as the distance between the (Co, Nb) and oxygen atoms. The study of morphology of samples showed that the Nb content does not change the porosity, grain size and morphology of the ceramics. The total electrical conductivity...
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Structure and transport properties of triple-conducting BaxSr1−xTi1−yFeyO3−δ oxides
PublicationIn this work, BaxSr1−xTi1−yFeyO3−δ perovskite-based mixed conducting ceramics (for x = 0, 0.2, 0.5 and y = 0.1, 0.8) were synthesized and studied. The structural analysis based on the X-ray diffraction results showed significant changes in the unit cell volume and Fe(Ti)–O distance as a function of Ba content. The morphology of the synthesized samples studied by means of scanning electron microscopy has shown different microstructures...
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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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Superconductivity in LiGa2Ir Heusler type compound with VEC = 16
PublicationPolycrystalline LiGa2Ir has been prepared by a solid state reaction method. A Rietveld refnement of powder x-ray difraction data confrms a previously reported Heusler-type crystal structure (space group Fm-3m, No. 225) with lattice parameter a= 6.0322(1) Å. The normal and superconducting state properties were studied by magnetic susceptibility, heat capacity, and electrical resistivity techniques. A bulk superconductivity with...
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Superconductivity in the Endohedral Ga Cluster Compound PdGa5
PublicationSuperconductivity is observed below Tc = 1.6 K in an endohedral Ga cluster compound PdGa5 using magnetization and heat capacity measurements. Electronic structure calculations show that the density of states (DOS) at the Fermi level is dominated by Ga s and p states and that the overall shape of DOS is similar to what was found in other endohedral Ga cluster superconductors, such as MoxGa5x+1, ReGa5, and T2Ga9 (T = Rh and Ir)....