Publications
Filters
total: 997
Catalog Publications
Year 2002
-
The effects of crystallization on the magnetic properties and critical cur-rent in Bi-Sr-Ca-Cu-O glass-ceramics
PublicationW publikacji przedstawiono wpływ procesu krystalizacji na podatność magnetyczną oraz wewnątrzziarnowe i międzyziarnowe prądy krytyczne krystalizowanego szkła Bi4Sr4Ca3Cu4Ox. Próbki krystalizowano w temperaturze 800C w czasie od0,5 godz do 216 godz. Wszystkie próbki poniżej temp. 80k wykazywały cechy diamagnetyczne. Otrzymano małe wartości prądów krytycznych w badanych próbkach (50-100Acm-2 dla prądów wewnątrzziarnowych, w zależności...
Year 2003
-
The effects of growth conditions on superconducting properties of Nd1Ba2Cu3O7-ë single crystals.
PublicationW pracy przedstawiono rezultaty badan wpływu warunków wzrostu kryształów Nd1Ba2Cu3O7-d na ich własności nadprzewodzące. Kryształy hodowano metodą spontanicznego wzrostu z fazy ciekłej. Mikrostruktura kryształów została zbadana skaningowym mikroskopem elektronowym oraz skaningowym mikroskopem tunelowym. Własności nadprzewodzące badano przeprowadzając pomiary momentu magnetycznego w funkcji temperatury.W przypadku badanych kryształów...
-
The structure of Pb-PbO-SiO2 glass via molecular dynamics simulation
PublicationPraca poświęcona jest badaniom struktury blisko i średniozasięgowej częściowo zredukowanego szkła ołowiowo-krzemianowego o stechiometrii 1Pb1PbO1SiO2 uzyskanego na drodze symulacji dynamiczno-molekularnych. Otrzymane rezultaty porównamy z danymi otrzymanymi dla szkła niemodyfikowanego (2PbO1SiO2) i całkowicie zredukowanego (2Pb1SiO2).
Year 2019
-
The electronic characterization of the cubic Laves-phase superconductor CaRh2
PublicationWe present the synthesis and experimental characterization of the electronic properties of the cubic Laves phase superconductor CaRh2. Its crystal structure was confirmed by powder X-ray diffraction and its ambient temperature lattice parameter (a = 7.5326(6) Å) is in good agreement with the literature. Magnetization, resistivity and heat-capacity measurements indicate that CaRh2 is a moderate-coupling type-II superconductor (λe-p = 0.89)...
-
The influence of Be addition on the structure and thermal properties of alkali-silicate glasses
PublicationBe-Na-(Li)-Si oxide glasses containing up to 15 mol% of BeO were prepared. Their structure was characterized by X-ray powder diffraction and Raman as well as infrared spectroscopic techniques, while their chemical compositions were examined by Inductively Coupled Plasma Optical Emission Spectrometry. All materials were found to be amorphous and contain Al contaminations from minor dissolution of the alumina crucibles. The results...
-
The Influence of Iron Doping on Performance of SrTi1-XFexO3-δ Perovskite Oxygen Electrode for SOFC
PublicationSolid Oxide Fuel Cells (SOFC) are based on electrolytes and mixed ionic and electronic conductivity (MIEC) materials. The need to reduce costs causes an increase in interest of new compounds suitable for operating temperatures between 600 °C and 800 °C. The SrTi1-xFexO3 (STF) perovskite material is a perspective material that could be used for the oxygen electrodes. In this work STF materials with different content of iron (x =...
-
The Influence of the Co-Dopant Dexamethasone Phosphate on the Electrodeposition Process and Drug-Release Properties of Polypyrrole-Salicylate on Iron
PublicationIn this work, the influence of incorporation of two anti-inflammatory drugs dexamethasone phosphate and sodium salicylate on the electrodeposition process of polypyrrole (PPy) film on iron has been studied. The incorporation of the agents into PPy has been carried out in a one-step electropolymerization process on oxidizable iron. The role of each drug agent during the deposition process has been discussed. The morphological and...
Year 2011
-
The electronic structure of p-xylylene and its reactivity with vinyl molecules
PublicationThe electronic states of p-xylylene molecule were described at the multi-configurational CASSCF/MRMP2 level of theory. The closed-shell singlet state representing the quinoidal p-xylylene molecule was pre-dicted to be the ground electronic state whereas the triplet (benzoidal) and the singlet open-shell states were found to be much higher in energy (by 159 and 423 kJ/mol, respectively, as found at the CASSCF(8,8)/6-31+G(d) level)....
-
The influance of infiltration of LNF cathode with CGO
Publication -
The outline of percolation theory in reference to Solid Oxide Fuel Cell composite anodes
PublicationPrzedstawiono podstawy teoretyczne dotyczące zjawiska perkolacji w układach nieuporządkowanych. Zaprezentowano obecny stan wiedzy na temat wykorzystania teorii perkolacji w materiałach elektrodowych dla tlenkowych ogniw paliwowych.
Year 2014
-
The external walls of a passive building: A classification anddescription of their thermal and optical properties
PublicationThis paper attempts a new classification of insulating materials from the perspective of their utility in thepro-ecological passive construction industry. The main criterion is the conductivity of thermal and solarenergy. Based on their ability to conduct or block fluxes of thermal and solar energy, six types of insulatingwalls are proposed. On the basis of this criterion there are traditional dividing walls (typical walls, wallinsulating...
-
The properties of reduced Bi-Ge-O glasses for thermoelectric devices
PublicationThe bismuth-germanate glasses have been investigated to examine their applicability for thermoelectric devices. In order to increase their electrical conductivity, the 25Bi2O3–75GeO2 glass samples have been reduced at 340-380°C for 10 hours in hydrogen. It has been shown that such heat treatment in H2 leads to the reduction of metal ions Bi3+ and Ge4+ into neutral atoms and the formation of metal grains both in an amorphous glass...
-
The properties of reduced Ge-Sb-O glasses for thermoelectric devices
PublicationThe structural and electrical properties of germanium-antimonate glasses after heat treatment in hydrogen have been determined. In the case of 50GeO2-50Sb2O3 glass reduced at 340°C even for less than 1 hour a continuous layer of antimony granules is formed and its electrical properties determine the surface conductivity of the reduced sample. The bulk electrical conductivity at 100°C of this sample was determined as 1000 Scm-1...
Year 2008
-
The first order phase transition and superconductivity in BaNi2As2 single crystals
PublicationDyskutowane są synteza i właściwości fizyczne monokryształów BaNi2As2. BaNi2As2 krystalizuje w strukturze ThCr2Si2, a stałe sieciowe wynoszą odpowiednio: a = 4.112(4) A i c = 11.54(2) A. Pomiar oporu elektrycznego, zmiennopolowej podatności magnetycznej, ciepła właściwego, pokazują objętościowy efekt nadprzewodzący z Tc = 0.7 K.
-
The structure of Al-Cu and Al-Si eutectic melts
PublicationStrukturę ciekłych stopów eutektycznych Al_{83}Cu_{17} i Al_{88}Si_{12} zbadano metodami dyfrakcyjnymi i RMC. Przeanalizowano uzyskane całkowite i cząstkowe funkcje korelacyjne i parametry strukturalne.
Year 2020
-
The geometry of free-standing titania nanotubes as a critical factor controlling their optical and photoelectrochemical performance
PublicationTitanium dioxide nanotubes are regarded as one of the most important functional materials and due to their unique electronic properties, chemical stability and photocorrosion resistance, they find applications in, for example, highly efficient photocatalysis or perovskite solar cells. Nevertheless, modification of TiO2 nanotubes is required to overcome their main drawback, i.e. large energy bandgap (>3.2 eV) limiting their ability...
-
The In-Depth Studies of Pulsed UV Laser-Modified TiO2 Nanotubes: The Influence of Geometry, Crystallinity, and Processing Parameters
PublicationThe laser processing of the titania nanotubes has been investigated in terms of morphology, structure, and optical properties of the obtained material. The length of the nanotubes and crystallinity, as well as the atmosphere of the laser treatment, were taken into account. The degree of changes of the initial geometry of nanotubes were checked by means of scanning electron microscopy, which visualizes both the surface and the cross-section....
-
The influence of the Cu2O deposition method on the structure, morphology and photoresponse of the ordered TiO2NTs/Cu2O heterojunction
PublicationThe increased interest in highly ordered titania structures exhibiting tubular shape that could be directly formed onto the stable substrate is related with the intensive research on their modification enabling absorption of light within the wide solar spectrum and its further conversion into electric or chemical energy. Among others, formation of uniform 3D heterojunctions based on the TiO2 nanotubes attracts attention since porous...
-
The influence of thermal treatment on electrocatalytic properties of Mn-Co nanofilms on nickel foam toward oxygen evolution reaction activity
PublicationThis work evaluates electrodeposited and differently treated Mn-Co catalysts for their oxygen evolution reaction activity. Catalysts are evaluated in the as-deposited and heat treated state: after 350 C and 600 C. Results show that the highest electrochemical activity is obtained for the as-deposited Mn-Co oxyhydroxide, which possibly possess a layered double hydroxide structure. After the heat treatment process, especially after...
-
The new silica-based coated SPME fiber as universal support for the confinement of ionic liquid as an extraction medium
PublicationThe new silica-based SPME fiber coating is reported for the first time as universal support purposed to confinement of ionic liquid as an extraction medium. Fiber coating was prepared by the sol-gel process, using potassium silicate (K2SiO3) as a precursor and dimethylformamide (DMF) as a pore-forming medium. The concept of synthesis assumes obtaining a solid porous material on the surface of the glass rod and, being characterized...
-
The ONETEP linear-scaling density functional theory program
PublicationWe present an overview of the ONETEP program for linear-scaling density functional theory (DFT) calculations with large basis set (planewave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the...
-
The pulsed laser ablation synthesis of colloidal iron oxide nanoparticles for the enhancement of TiO2 nanotubes photo-activity
PublicationThe rapid, only a few minutes long synthesis of FeO, Fe3O4, and Fe2O3nanoparticles mixture utilizing the pulsedlaser ablation using simply pure iron target and water was demonstrated. The size and crystal phase of Fe-basedNPs were characterized using DLS and HR-TEM techniques, respectively. The metastable suspension of FeO,Fe3O4, and Fe2O3nanoparticles was used to the decoration of anodized TiO2nanotubes (TiO2-NTs) by means ofthe...
-
The Role of Electrostatics in Enzymes: Do Biomolecular Force Fields Reflect Protein Electric Fields?
PublicationPreorganization of large, directionally oriented, electric fields inside protein active sites has been proposed as a crucial contributor to catalytic mechanism in many enzymes, and it may be efficiently investigated at the atomistic level with molecular dynamics simulations. Here, we evaluate the ability of the AMOEBA polarizable force field, as well as the additive Amber ff14SB and Charmm C36m models, to describe the electric...
Year 2018
-
The homometallic warwickite V 2 OBO 3
PublicationThe synthesis, structure and elementary magnetic characterization of the homometallic warwickite V2OBO3 are reported. The material adopts the orthorhombic warwickite structure type at room temperature, space group Pnma (No. 62) with lattice parameters a = 9.2317(1) Å, b = 3.1172(1) Å, and c = 9.5313(1) Å. Temperature-dependent magnetic susceptibility, electrical resistivity, and specific heat measurements show anomalies near 35 K,...
-
The influence of photointercalaction and photochromism effects on the photocatalytic properties of electrochemically obtained maze-like MoO3 microstructures
PublicationMolybdenum oxide (α-MoO3) thin films with oriented crystalline facets were synthesised by anodization of Mo foils. The obtained samples were exposed to UV–Vis illumination in aqueous electrolytes providing different cations. The morphology and structure of modified samples were investigated. The effect of photointercalated alkali metal cations (Li+, Na+, K+) on optical and structural properties was studied using UV–vis and Raman...
-
The influence of synthesis method on the microstructure and catalytic performance of Y 0.07 Sr 0.93 Ti 0.8 Fe 0.2 O 3-δ in synthetic biogas operated solid oxide fuel cells
PublicationThe Y0.07Sr0.93Ti0.8Fe0.2O3-δ (YSTF) material was fabricated using three different synthesis methods: modified polymer precursor method (MPP), Pechini method and a solid state reaction method. It was applied as an anode catalytic material for biogas reforming in solid oxide fuel cells. Clear differences in the microstructure of fabricated catalytic layers were found, mainly with respect to a grain size and distribution of grains....
-
The σ-phase superconductors Nb20.4Rh5.7Ge3.9 and Nb20.4Rh5.7Si3.9
PublicationWe show that the previously unreported ternary σ phases Nb20.4Rh5.7Ge3.9 and Nb20.4Rh5.7Si3.9 are both superconductors with Tc values of approximately 1.9 K. The superconducting transitions were characterized through temperature-dependent magnetic susceptibility, electrical resistance, and specific heat measurements. The Sommerfeld constants, γ, for Nb20.4Rh5.7Ge3.9 and Nb20.4Rh5.7Si3.9 are 89(1) mJ mol-f.u.−1K−2 and 86(1) mJ mol-f.u.−1K−2...
Year 2017
-
The ILs-assisted electrochemical synthesis of TiO2 nanotubes: The effect of ionic liquids on morphology and photoactivity
PublicationFacile and environmentally benign one-step titanium anodization method for TiO2 nanotubes (NTs) formation in a presence of ionic liquids (ILs) was proposed. Influence of the IL structure and its content in ethylene glycol electrolyte on morphology, surface properties and photoactivity of the TiO2 NTs was investigated. Possible interactions between IL and TiO2 NTs as well as the mechanism of NTs formation during anodic oxidation...
-
The influence of ammonia and selcted amines on the characteristics of calcium carbonate precipitated from calcium chloride solutions via carbonation
PublicationThe precipitation of calcium carbonate was carried out by passing a gasous mixture of carbon dioxide and air into a calcium chloride solution. The selected compounds enhancing carbon dioxide absorption were used as additives which promote the formation of carbonate ions in the solution. The additives were ammonia, monoethanolamine, triethylamine and triethanolamine. The resulting calcium carbonate particles varied in polymorphic...
-
The Influence of Calcium Glycerophosphate (GPCa) Modifier on Physicochemical, Mechanical, and Biological Performance of Polyurethanes Applicable as Biomaterials for Bone Tissue Scaffolds Fabrication
PublicationIn this paper we describe the synthesis of poly(ester ether urethane)s (PEEURs) by using selected raw materials to reach a biocompatible polyurethane (PU) for biomedical applications. PEEURs were synthesized by using aliphatic 1,6-hexamethylene diisocyanate (HDI), poly(ethylene glycol) (PEG), α,ω-dihydroxy(ethylene-butylene adipate) (Polios), 1,4-butanediol (BDO) as a chain extender and calcium glycerolphosphate salt (GPCa) as...
-
The LaPdIn 4 indide and elementary properties of the LaTIn 4 ( T = Ni, Pd, Pt) materials family
PublicationThe indium-rich intermetallic compound LaPdIn4 is reported, prepared by arc-melting and annealing at 600 C. Single crystal X-ray diffraction found the material to be orthorhombic, space group Cmcm (No. 63), with lattice parameters a ¼ 4.5462(3) Å, b ¼ 16.9208(10) Å, and c ¼ 7.3100(5) Å. This previously unreported indide is isostructural with LaNiIn4 and LaPtIn4. It is demonstrated that all three compounds in the LaTIn4 (T ¼ Ni,...
-
Theoretical calculation of the physico-chemical properties of 1-butyl-4-methylpyridinium based ionic liquids
PublicationACCEPTED MAIonic liquids (ILs) have attracted much attention for their unique physicochemical properties, which can be designed as needed by altering the ion combinations. Besides experimental work, numerous computational studies have been concerned with prediction of physical properties of ILs. The results of molecular dynamics simulations of ILs depend strongly on the proper force field parameterization. Classical force fields...
Year 2012
-
The influence of elastic deformation on the properties of the magnetoacoustic emission (mae) signal for go electrical steel
PublicationZbadano własciwości sygnału emisji magnetoakustycznej (MAE) elektrotechnicznej stali GO poddanej deformacji plastycznej w temperaturze pokojowej
-
The Influence of Gas Mixture in the Glow-Discharge Nitriding Process of Austenitic Stainless Steel on Characteristic of Nitrided Cases
PublicationAustenitic stainless steels characterize with excellent corrosion resistance, although low mechanical properties. In many cases that limits their exploitation in industrial applications. Moreover, austenitic stainless steel is susceptible to local corrosion in the presence of halide ions. In present works, it was emphasized that the nitriding of austenitic stainless steels gives some potential abilities to obtain beneficial effect...
Year 2016
-
The influence of nanostructures size on V2O5 electrochemical properties as cathode materials for lithium ion battery
PublicationIn this paper, V2O5 nanostructures with a size depending on the annealing temperature are successfully synthesized by a sol-gel method. The crystal structure and morphology of samples are characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), selected area electron diffraction (SEAD) and scanning electron microscopy (SEM), respectively. Electrochemical testing such...
-
The potential of imogolite nanotubes as (co-)photocatalysts: a linear-scaling density functional theory study
PublicationWe report a linear-scaling density functional theory (DFT) study of the structure, wall-polarization absolute band-alignment and optical absorption of several, recently synthesized, open-ended imogolite (Imo) nanotubes (NTs), namely single-walled (SW) aluminosilicate (AlSi), SW aluminogermanate (AlGe), SW methylated aluminosilicate (AlSi-Me), and double-walled (DW) AlGe NTs. Simulations with three different semi-local and dispersion-corrected...
-
THE ROLE OF THIN FUNCTIONAL LAYERS IN SOLID OXIDE FUEL CELLS
PublicationWidespread commercialization of solid oxide fuel cells requires lowering its cost. It is generally accepted that to lower the cost of solid oxide fuel cells it is necessary to use metal alloys as interconnectors and, consequently, lower its operating temperature to slow down interconnectors degradation. As a result the area specific resistance of the cathodes should be lowered to sustain the performance of the cells. In order to...
Year 2009
-
The influence of plastic deformation on the magnetoelastic properties of the CSN12021 grade steel
PublicationWłasności magnetosprężyste materiałów są silnie modyfikowane przez zmiany struktury dyslokacyjnej, które są wynikiem procesów deformacji plastycznej. Zmiany te mogą być wykorzystane jako podstawa do opracowania metody nieniszczącej oceny stopnia deformacji materiału.Jak dotychczas zaproponowane zostały różne metody, oparte na pomiarach pętli histerezy magnetycznej czy też natężenia magnetycznego efektu Barkhausena. Artykuł porównuje...
-
The influence of preparing conditions on the properties of SrTi0.98Nb0.02O3-YSZ composite
PublicationZbadano wpływ warunków przygotowania na właściwości kompozytów SrTi0.98Nb0.02O3-YSZ jako potencjalnych warstw przejściowych między anodą a elektrolitem w tlenkowych ogniwach paliwowych SOFC. Udowodniono, że proces wstępnej obróbki temperaturowej substratów oraz sposób ich mielenia znacznie wpływa na przewodnictwo elektryczne badanych materiałów.
Year 2015
-
The influence of thermal conditions on V2O5 nanostructures prepared by sol-gel method
PublicationThis work presents the result of structure investigations ofV 2O5 nanorods grown from thin films and powders prepared by sol-gel method. To examine the best temperature of nanorods crystallization, thin films deposited by spin-coating method on quartz glass or silicon substrates and bulk xerogel powders were annealed at various temperatures ranging from 100∘C to 600∘C. The structure of the samples was characterized by X-ray diffraction...
-
Theory of valence-band and core-level photoemission from plutonium dioxide
PublicationThe correlated-band theory implemented as a combination of the local-density approximation with the dynamical mean-field theory is applied to PuO2. An insulating electronic structure, consistent with the experimental valence-band photoemission spectra, is obtained. The calculations yield a nonmagnetic ground state that is characterized by a noninteger filling of the plutonium 5f shell. The noninteger filling as well as the satellites...
Year 2023
-
The new method of ZnIn2S4 synthesis on the titania nanotubes substrate with enhanced stability and photoelectrochemical performance
PublicationThe new method of ZnIn2S4 synthesis on the titania nanotubes substrate with enhanced stability and photoelectrochemical performance
-
The Sonocatalytic Activation of Persulfates on Iron Nanoparticle Decorated Zeolite for the Degradation of 1,4-Dioxane in Aquatic Environments
PublicationIn the chemical industry, 1,4-diethylene dioxide, commonly called dioxane, is widely used as a solvent as well as a stabilizing agent for chlorinated solvents. Due to its high miscibility, dioxane is a ubiquitous water contaminant. This study investigates the effectiveness of catalyst- and ultrasound (US)-assisted persulfate (PS) activation with regard to degrading dioxane. As a first step, a composite catalyst was prepared using...
Year 2004
-
The photoconductivity of sol-gel derived TiO2 films.
PublicationPrzygotowano metodą zol-żel warstwy TiO2 na podłożu kwarcowym. Zbadano ich fotoprzewodnictwo w różnych warunkach. Stwierdzono, że fotoprąd w próżni jest o trzy rzędy większy niż w powietrzu. Jako wyjaśnienie zaproponowano absorpcję tlenu na powierzchni warstwy.
Year 2006
-
The structure and melting of lead nanocrystalline layer in reduced lead-germanate glass
PublicationNanokrystaliczna warstwa granul Pb na powierzchni szkieł ołowiowo-germanianowych została wytworzona poprzez wygrzewanie w wysokich temperaturach, w atmosferze wodoru. Właściwości tej warstwy silnie zależą od temperatury i czasu redukcji. Artykuł prezentuje rentgenowskie i mikroskopowe badania struktury warstwy oraz wpływ topnienia i krzepnięcia granul Pb na jej przewodnictwo.
-
The structure of liquid lead: EXAFS and MD studies
PublicationPraca poświecona jest analizie widm XAFS zmierzonych na krawędzi L3dla ciekłego ołowiu. W analizie strukturalnej EXAFS zastosowano podejście GNXAS. Przetestowano kilka modeli strukturalnych, zarówno numerycznych (MD-DLE, MD-TB), jak i tych otrzymanych doświadczalnie (ND, XRD) i ostatecznie zrekonstruowano pierwszy pik w parowej funkcji rozkładu, g(r). Zweryfikowano wcześniejsze doniesienia o obserwownym za pomocą metody XAFS gwałtownym...
Year 2013
-
The study of structure and surface morphology of lithium titanate sol-gel derived thin films
PublicationIn this paper the structure and the surface morphology of lithium titanate (LTO) thin films are presented. Nanocrystalline thin films were prepared by sol–gel method. To examine the influence of the annealing time on as-prepared films crystallization, the coatings were heated at different temperatures in the range of 500 °C–600 °C for 10, 20, 40 and 80 h. The structure of the obtained material was investigated using the X-ray diffraction...
Year 2007
-
The upper critical field in doped MgCNi3
PublicationDyskutowany jest wpływ domieszkowania MgCNi3 na górne pole krytyczne (H_c2). H_c2 monotonicznie maleje wraz ze wzrostem koncentracji domieszki. Silniejszy wpływ widoczny w przypadku domieszkowania Fe może być tłumaczony poprzez efekt rozrywania nadprzewodzących par Coopera poprzez centra magnetyczne tworzone przez domieszki Fe.
-
Theoretical study of the energetics of the reactions of triplet dioxygen with hydroquinone, semiquinone, and their protonated forms: relation to the mechanism of superoxide generation in the respiratory chain = Badanie teoretyczne energii z energii reakcji dioksygenu potrójnego z wodorem, półkiną i ich formami protony: relacja z mechanizmem wytwarzania supertlenku w łańcuchu oddechowym
PublicationW pracy prezentujemy wyniki obliczeń kwantowych ab initio i półempirycznych energetyki reakcji redukcji jednoelektronowej tlenu trypletowego. Zaproponowaliśmy cztery możliwe mechanizmy redukcji i przeprowadziliśmy obliczenia kwantowe. Z obliczeń wynika, że najprawdopodobniejszy mechanizm reakcji wiedzie poprzez przeniesienie elektronu z anionu hydrochinonu po deprotonacji lub też z rodnika semichinonowego na tlen cząsteczkowy,...
Year 2010
-
Theoretical study of polymerization mechanism of p-xylylene based polymers
PublicationObliczenia kwantowe mechanizmu polimeryzacji parylenów, opartych o cząsteczki p-ksylilenów. Praca zawiera wyniki szczegółowych obliczeń wszystkich etapów polimeryzacji, wnioski dotyczące znalezionych stanów kwantowych i energetyki poszczególnych etapów procesu.