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Search results for: c. inconspicua
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Local Dye Concentration and Spectroscopic Properties of Monomer−Aggregate Systems in Hybrid Porous Nanolayers
PublicationAnalysis of absorption, fluorescence, and time-resolved emission spectra of rhodamine 6G in hybrid porous nanolayers at high dye concentration allowed identification of two fluorescent species: monomers and fluorescent aggregates. The method of determination of mean local concentration of aggregates in matrices is proposed based on the energy transfer process between monomers and fluorescent aggregates. Evaluation of aggregate...
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Study of Phase Transformation Processes Occurring in the Nanocrystalline Iron/Ammonia/Hydrogen System by the Magnetic Permeability Measurement Method
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Novel biocatalytic systems for maintaining the nucleotide balance based on adenylate kinase immobilized on carbon nanostructures
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Dynamics of Organic Cations in Switchable Quinuclidinium Metal Chloride Dielectrics
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Tracking of the Multimodal Ordering Process in FePd Alloy
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A low-band gap, nitrogen-modified titania visible-light photocatalyst
PublicationFotokatalizatory tlenku tytanu(IV) zmodyfikowanego azotem zostały zsyntetyzowane poprzez ogrzewanie wodorotlenku tytanu i mocznika w temperaturze 400ºC. Otrzymane fotokatalizatory charakteryzują się silną absorpcją w zakresie promieniowania widzialnego (400-500 nm) odznaczając się niskimi wartościami energii pasma wzbronionego (2,20 i 2,46 eV). Aktywność fotokatalityczną w świetle widzialnym potwierdzono przeprowadzając reakcję...
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Modification of titanium dioxide with platinum ions and clusters: application in photocatalysis
PublicationW celu polepszenia właściwości fotokatalitycznych, TiO2 (komercyjny-P25 oraz syntezowany metoda zol-żel) był domieszkowany za pomocą jonów lub klasterów [Pt3(CO)6]62- platyny. Własności fizyczne fotokatalizatorów były badane za pomocą elektronowego mikroskopu transmisyjnego (TEM), dyfraktometru rentgenowskiego (XRD) oraz analizatora powierzchni właściwej (BET). Dyfuzyjna spektrometria odbiciowa (DRS) została zastosowana w celu...
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Standard and Fast Selective Catalytic Reduction of NO with NH3on Zeolites Fe-BEA
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Photocatalysis Involving a Visible Light-Induced Hole Injection in a Chromate(VI)–TiO2 System
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Surface phenomena in discotic liquid crystals investigated using polarized FTIR transmission spectroscopy
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Doping-Induced Immobile Charge Carriers in Polyazomethine: A Spectroscopic Study
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New D−π–D−π–A Systems Based on Phenothiazine Derivatives with Imidazole Structures for Photovoltaics
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Dyes based on the D/A-acetylene linker-phenothiazine system for developing efficient dye-sensitized solar cells
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Effect of carbonate substitution on physicochemical and biological properties of silver containing hydroxyapatites
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Synthesis, Growth Mechanism, and Electrochemical Properties of Hollow Mesoporous Carbon Spheres with Controlled Diameter
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Tribo-Environment Dependent Chemical Modification of Sliding Interfaces in Ultrananocrystalline Diamond Nanowall Film: A Correlation with Friction and Wear
PublicationTribological properties of ultrananocrystalline diamond nanowall (UNCD NW) films were investigated quantitatively in three different and controlled tribo-environmental conditions, proposing the passivation and graphitization mechanisms. However, these mechanisms are rather complicated and possibly can be understood in well-controlled tribological conditions. It was shown that the friction and wear of these films were high in highPage 1...
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Band Gap Engineering toward Semimetallic Character of Quinone-Rich Polydopamine
PublicationSemiconductor|melanin interfaces have received increasingly more attention in the fields of photocatalysis and applied electrochemistry because of their facile synthesis, unique electrical properties, and strong capability toward photosensitization. In this work, we describe the electropolymerization of quinone-rich polydopamine (PDA) on the surface of hydrogenated TiO2 nanotubes with enhanced photoactivity in the visible spectrum....
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Charge Transport in High-Entropy Oxides
PublicationThis work presents the results of research on the transport properties of the high-entropy BaZr1/8Hf1/8Sn1/8Ti1/8Y1/8In1/8Sm1/8Yb1/8O3–x perovskite oxide with special focus on proton transport. The presented study is part of broader work in which we focus on multiple different chemical compositions with the cation number varying from 5 up to 12 (in B-sublattice). The presence of proton defects is analyzed with thermogravimetry,...
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Superconductivity in Bismuth Pyrochlore Lattice Compounds RbBi2 and CsBi2: The Role of Relativistic Effects
PublicationSuperconducting properties of two bismuthide intermetallic compounds, RbBi2 and CsBi2, were studied by means of experimental measurements and ab initio calculations. We show that in both compounds, the superconductivity emerges from the pyrochlore Bi lattice and its formation is heavily influenced by relativistic effects. Based on our analysis of the effect of spin–orbit coupling on the electron–phonon coupling, we suggest a possible...
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Properties of Oxygen Vacancy and Hydrogen Interstitial Defects in Strontium Titanate: DFT + Ud,p Calculations
PublicationThis work presents extensive theoretical studies focused on the mixed ion-electron transport in cubic strontium titanate (STO). A new approach to the description of this difficult system was developed within the framework of linear-scaling Kohn–Sham density functional theory, as realized in the ONETEP program. The description we present is free of any empirical parameters and relies on the Hubbard U and Hund’s J corrections applied...
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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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Texture or Linker? Competitive Patterning of Receptor Assembly toward Ultra-Sensitive Impedimetric Detection of Viral Species at Gold-Nanotextured Titanium Surfaces
PublicationIn this work, we study the electrodes with a periodic matrix of gold particles pattered by titanium dimples and modified by 3-mercaptopropionic acid (MPA) followed by CD147 receptor grafting for specific impedimetric detection of SARS-CoV-2 viral spike proteins. The synergistic DFT and MM/MD modeling revealed that MPA adsorption geometries on the Au–Ti surface have preferential and stronger binding patterns through the carboxyl...
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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)....
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Tunable Dielectric Switching of (Quinuclidinium)[MnCl4] Hybrid Compounds
PublicationInorganic−organic hybrid QMnCl (Q = quinuclidinium) crystals were synthesized and characterized. The X-ray and variable-temperature IR/Raman analysis demonstrate that the crystals undergo a reversible structural phase transition, which originates from an order−disorder process and is related to the dynamics of the organic Q cation. Dielectric function measurements disclose a switchability between low (“OFF”) and high (“ON”) dielectric...
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Conductive Thermoplastic Polyurethane Nanocomposite Foams Derived from a Cellulose/MWCNTs Aerogel Framework: Simultaneous Enhancement of Piezoresistance, Strength, and Endurance
PublicationHigh conductivity and excellent mechanical properties of composite polymers favors their application as piezoresistive strain sensors. Nonetheless, it is difficult to develop composite polymers with desirable piezoresistance, mechanicaland durable properties. Herein, we developed conductive cellulose/MWCNTs aerogel using the freeze-drying technique. Besides, we explored the application of the highly-sensitive piezoresistive polymer...
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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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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublicationWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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Enhanced Charge Storage Mechanism And Long-Term Cycling Stability In Diamondized Titania Nanocomposite Supercapacitors Operating In Aqueous Electrolytes
PublicationThe long cycle life stability jointly with high energy density are limiting broader feasible applications of supercapacitors. The novel diamondized titania nanocomposite supercapacitors deliver high power and energy densities along with high capacitance retention rates. Supercapacitor electrodes were fabricated utilizing a combination of Ti anodization followed by chemical vapor deposition resulting in simultaneous growth of complex...
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Systematic Water Uptake Energetics of Yttrium-Doped Barium Zirconate—A High Resolution Thermochemical Study
PublicationA combination of surface area analyzer and microcalorimetry was employed to investigate the in situ water uptake energetics and the mechanism of proton incorporation in yttrium-doped barium zirconate in the temperature range 200–400 °C. The BaZr1–xYxO3 solid solutions are made with variable yttrium content (x = 10, 20, and 30 mol %) by a controlled oxidant-peroxo synthesis method. The water uptake increases as the partial pressure...
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How Do Ionic Liquids Affect the Surface Structure of Titania Photocatalyst? An Electron-Trap Distribution-Analysis Study
PublicationTitanium(IV) oxide, titania, photocatalyst particles were prepared from titanium alkoxide in the presence of several kinds of ionic liquids, and it was clarified that a group of samples exhibited photocatalytic activity for phenol degradation under the irradiation of light of wavelength >400 nm higher than those of the other group of samples. Although the conventional structural analytical results could not be related to the activity,...
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Surface and Trapping Energies as Predictors for the Photocatalytic Degradation of Aromatic Organic Pollutants
PublicationIn this study, anatase samples enclosed by the majority of three different crystal facets {0 0 1}, {1 0 0}, and {1 0 1} were successfully synthesized. These materials were further studied toward photocatalytic degradation of phenol and toluene as model organic pollutants in water and gas phases. The obtained results were analyzed concerning their surface structure, reaction type, and surface development. Moreover, the regression...
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MgPdSb─An Electron-Deficient Half-Heusler Phase
PublicationThe half-Heusler family consists of many semiconducting intermetallic compounds, virtually all of them having a valence electron count (VEC) of 18. We have studied an electron-deficient (VEC = 17) phase MgPdSb and its Pd-stuffed variant MgPd1.25Sb. The cubic F4̅3m crystal structure was confirmed by the Rietveld refinement of powder X-ray diffraction (XRD) data. The lattice parameter is a = 6.284 and 6.335 Å for MgPdSb and MgPd1.25Sb,...
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Atomic-Scale Finite-Element Modeling of Elastic Mechanical Anisotropy in Finite-Sized Strained Phosphorene Nanoribbons
PublicationNanoribbons are crucial nanostructures due to their superior mechanical and electrical properties. This paper is devoted to hybrid studies of the elastic mechanical anisotropy of phosphorene nanoribbons whose edges connect the terminals of devices such as bridges. Fundamental mechanical properties, including Young’s modulus, Poisson’s ratio, and density, were estimated from first-principles calculations for 1-layer, 3-layer, and...
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Concentration-Dependent Fluorescence Properties of Rhodamine 6G in Titanium Dioxide and Silicon Dioxide Nanolayers
PublicationWytworzono cienkie warstwy zawierające rodaminę 6G w dwutlenku tytanu (R6G/TiO2) i w dwutlenku krzemu (R6G/SiO2) stosując metodę zol-żel. Badane były dwa rodzaje matryc, w których domieszkowano barwnik rodamina 6G (R6G) o różnych koncentracjach. Został stwierdzony istotny wpływ koncentracji barwnika na widma absorpcji i emisji oraz na czasowo rozdzielone widma fluorescencji. W szczególności stwierdzono znacznie mniejszą zdolność...
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Local Ordering Changes in Pt-Co Nanocatalyst Induced by Fuel Cell Working Conditions
PublicationPraca poświęcona jest szczegółowej analizie zmian w lokalnej strukturze atomowej i elektronowej nanocząstek Pt-Co pracujących jako katalizatory w polimerowych ogniwach paliwowych wywołanych cyklicznie zmieniającymi się warunkami pracy ogniwa. Do analizy wykorzystano badania XAS realizowane ex-situ i in-situ, XRD i TEM. Analizując widma XAFS wzięto pod uwagę możliwy wpływ nieporządku chemicznego oraz redukcję liczb koordynacyjnych...
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A Novel Ru(II) Polypyridine Black Dye Investigated by Resonance Raman Spectroscopy and TDDFT Calculations
PublicationThe optical properties of a new(bipyridine)2Ru(4H-imidazole) complex presenting a remarkablebroad absorption in the visible range are investigated. Thestrong overlap of the absorption with the solar radiationspectrum renders the studied complex promising as a blackabsorber and hence as a starting structure for applications inthe field of dye-sensitized solar cells. The correlations betweenstructural and electronic features for...
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Theoretical Design of the Molecular Structure of Bent-Core Mesogens with Large Second-Order Nonlinear Optical Properties
PublicationABSTRACT: The first hyperpolarizability of two series of moleculeswith bent-shaped structures has been calculated at the ab initio level.The two series consist of carboxyl derivatives for which somemolecules are known to exhibit banana phases and of their sulfinatehomologues that have not been synthesized yet. The final purpose isto reveal the relevance or not in synthesizing these latter molecules.The strategy is based on reporting...
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Structural Control of Photoinduced Dynamics in 4H-Imidazole- Ruthenium Dyes
PublicationThe photoinduced dynamics of a series ofterpyridine 4H-imidazole-ruthenium complexes, which constitutea new family of panchromatic dyes, is investigated. Thedynamics involves two excited states localized within the 4Himidazolesphere. Upon MLCT excitation, an excited state ispopulated, which is localized on the central part of the 4Himidazoleligand caused by its nonplanar conformation. Thepopulation of the second excited state is...
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Modification of Titanium (IV) Dioxide with Small Silver Nanoparticles: Application in Photocatalysis
PublicationThe surface of commercial TiO2 compounds (P25 and ST01) has been modified with Ag nanoparticles induced by radiolysis. On P25, the Ag nanoclusters are very small (1−2 nm) and homogeneous in size while on ST01, two populations of nanoparticles are obtained, small nanoparticles (1−2 nm) and larger ones (mean diameter 7 to 12 nm depending on the silver loading). The photocatalytic properties of Ag-modified TiO2 have been studied for...
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Extracellular biosynthesis of cobalt ferrite nanoparticles by Monascus purpureus and their antioxidant, anticancer and antimicrobial activities: Yield enhancement by gamma irradiation
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The effect of calcination temperature on structure and photocatalytic properties of Au/Pd nanoparticles supported on TiO2
PublicationBimetallic nanoparticles, composed of two different metal elements, can exhibit peculiar electronic, optical, and catalytic or photocatalytic properties that are absent in the corresponding monometallic nanoparticles. We show the effect of calcination temperature (from 350 to 700°C) on the structure and the photocatalytic properties of Au/Pd-modified TiO2. The composition of the bimetallic Au/Pd nanoparticles in relation to their...
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Oxidation and hydrogen behavior in Zr-2Mn alloy
PublicationThe purpose of the present research was to determine the oxidation and hydrogenation behavior in the new Zr-2Mn alloy. The oxidation of alloy was performed at temperatures between 350°C and 900°C for 30 minutes. The hydrogen charging was made for 72 h at a current density 80 mA/cm2. The charged samples were heat treated at 400°C for 4 h to obtain a uniform hydrogen profile content across the sample. The oxidation resulted in an...
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Fabrication of high-density nitrogen-vacancy (NV) center-enriched diamond particles through methyl trityl amine (C20H19N) seeding
PublicationDiamond particles (DPs) show promise for advanced applications in bioimaging and quantum sensing due to the presence of defect centers. This work reports a unique growth process for diamond particles composed of nitrogen-vacancy centers (NV-DPs) using a methyl trityl amine (C20H19N) diamondoid seed, which acts as a nitrogen source for NV creation. Growth was performed via microwave plasma-assisted chemical vapor deposition in a...
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Synthesis and reactivity of O-acyl selenophosphates.
PublicationMieszane bezwodniki kwasów monoselenofosforowych >P(Se)O-C(O)- w zależności od podstawników na atomie fosforu oraz karbonylowym atomie węgla izomeryzują do układów Se-mostkowych >P(O)Se-(O)C- oraz ulegają dekarboksylacji (dekarbonylacji i dekarboksylacji) do estrów Se-alkilowych >P(O)Se-. W eksperymantach krzyżowych następuje wzajemna wymiana grup acylowych pomiędzy cząsteczkami bezwodników.
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A New Approach for the Mitigating of Flow Maldistribution in Parallel Microchannel Heat Sink
PublicationThe problem of flow maldistribution is very critical in microchannel heat sinks (MCHS). It induces temperature nonuniformity, which may ultimately lead to the breakdown of associated system. In the present communication, a novel approach for the mitigation of flow maldistribution problem in parallel MCHS has been proposed using variable width microchannels. Numerical simulation of copper made parallel MCHS consisting of 25 channels...
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Wpływ zbrojenia polimerowymi włóknami rozproszonymi na wybrane właściwości mieszanek mineralno-asfaltowych
PublicationW artykule przedstawiono wybrane wyniki badań mieszanek mineralno-asfaltowych zbrojonych polimerowymi włóknami rozproszonymi. Ocenie poddano mieszankę włókien zbrojących aramidowo-poliolifenowych pod kątem wpływu ich zastosowania na właściwości niskotemperaturowe i odporności na deformacje trwałe mieszanek mineralno-asfaltowych. Właściwości niskotemperaturowe oceniano na podstawie testu zginania próbek belkowych oraz na podstawie...
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The effect of elevated temperature on LCF damage growth in 2024AA – Experiment and modeling
PublicationThis paper presents the results of experimental low-cycle fatigue (LCF) tests conducted on EN-AW 2024 alloy in T3511 temper at 100 ◦C, 200 ◦C and 300 ◦C. The material’s basic fatigue characteristics were determined, such as fatigue life curve and cyclic strain curve. Both the hysteresis loop and nature of fracture surfaces obtained in macro- and microscopic observations (scanning electron microscope, SEM) were accounted for. The...
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Hydrogen direct reduction and reoxidation behaviour of high-grade pellets
PublicationHigh grade pellets with basicity index close to 0.5 were directly reduced in pure hydrogen atmosphere. The reduction experiments were performed in the temperature range 800 e1000 C at the pressure of 8 bar. The pellets internal structure was analysed through micro tomography observations in the unreduced and reduced conditions. After reduction, the pellets showed a variation of porosity up to more than 15% with a remarkable change...
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Effect of convection and microwave heating on the retention of bioactive components in human milk
PublicationBioactive substances are very important components of human milk (HM), especially for premature newborns. The effects of convection (CH) and microwave heating (MWH) at 62.5 and 66 °C, on the level of selected bioactive components of HM: lysozyme (LZ), lactoferrin (LF), secretory immunoglobulin A (sIgA), basal lipase (BL), cytokine TGF-2, vitamin C and total antioxidant capacity (TAC) was compared. Regardless of the used heating methods...
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Glass-ceramic joining of Fe22Cr porous alloy to Crofer22APU: interfacial issues and mechanical properties
PublicationThis work deals with the joining of porous Fe22Cr ferritic stainless steel to a dense Crofer22APU plate by using a silica-based, Ba-containing glass-ceramic. The chemical and interfacial stability and the mechanical properties of the joints were evaluated before and after thermal ageing at 700 ◦C for 500hrs. The sintering behaviour of the glass was assessed by using heating stage microscopy (HSM) to study the influence of a porous...