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Metody matematyczne w chemii 2024 lato
Kursy OnlineWprowadzenie do programowania w Pythonie (zmienne, instrukcje sterujące, funkcje, reprezentacje macierzy i operacje na nich) Podejście numeryczne do rozwiązywania równań różniczkowych i modelowania procesów Markova; proste modele opisujące: kinetykę bistabilnych reakcji wielosubstratowych, termodynamikę dimeryzacji, kooperatywność na poziomie molekularnym Zagadnienie własne: podstawy analizy głównych składowych i teorii Huckla, kwantowochemiczne...
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The structure of 70(2Bi2O3-V2O5) - 30SrBO7 measured with X-ray diffraction and SEM methods
Dane BadawczeThe structure changes of 70(2Bi2O3-V2O5)-30SrB4O7 glass occurred during increase in temperature was measured by XRD and SEM.
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Topography and microstructure of phosphate-iron glasses containing niobium and titanium
Dane BadawczeThe topography and microstructure of phosphate-iron glasses containing niobium and titanium were investigated by the means of X-ray diffraction (XRD), scanning electron microscopy (SEM). Glass samples of the composition of 35P2O5-30Fe2O3-(35-x)Nb2O5-xTiO2 where x= 0; 7.5 and 15 (in %mol) were prepared by the conventional melt quenching technique. Appropriate...
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Ultra-Wideband Vivaldi Antenna with an Integrated Noise-Rejecting Parasitic Notch Filter for Online Partial Discharge Detection
PublikacjaPower transformers and gas-insulated switchgear (GIS) play crucial roles in electrical power grids. However, they may suffer from degradation of insulation material due to wear and tear, leading to their imminent failure. Partial discharges (PDs) are an initial sign of insulation materials degradation which emit signals spanning various physical domains, including electromagnetic. PDs are temporally narrow, high-frequency, stochastic...
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Injury Prediction Models for Onshore Road Network Development
PublikacjaIntegrating different modes of transport (road, rail, air and water) is important for port cities. To accommodate this need, new transport hubs must be built such as airports or sea ports. If ports are to grow, they must be accessible, a feature which is best achieved by building new roads, including fast roads. Poland must develop a network of fast roads that will provide good access to ports. What is equally important is to upgrade...
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Synteza i właściwości jonowoprzewodzących materiałów poliuretanowych
PublikacjaPrzewodzące kompozyty poliuretanowe otrzymywano w syntezie dwuetapowej. W pierwszym etapie syntetyzowano prepolimer uretanowy. W tym celu poddawano reakcji 4,4'-diizocyjanianu difenylometanu (MDI) oraz oligoeterol ( PTMG 1000, PTMG 2000 lub Rokopol D-2002). W drugim etapie jako przedłużacz łańcuchów stosowano 1,4-butanodiol (BDO). Elastomery te były domieszkowane solami LiClO4 lub LiCl oraz modyfikowane montmorylonitem. Domieszkowanie...
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Cyclodextrin polymers as efficient adsorbents for removing toxic non-biodegradable pimavanserin from pharmaceutical wastewaters
PublikacjaPresence of even small amount of active pharmaceutical ingredients in the environment carries risks tohuman and animal health, presenting an important issue. The paper presents issues related to the newdrug - pimavanserin (PMV). Biological treatment efficiency of pimavanserin (PMV) was evaluated usinglab-scale Sequencing Batch Reactor (SBR). It has been shown to have a negative effect on aquatic or-ganisms by classifying it as...
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Practical Trial for Low-Energy Effective Jamming on Private Networks With 5G-NR and NB-IoT Radio Interfaces
PublikacjaFourth-generation (4G) mobile networks are successively replaced by fifth-generation (5G) ones, based on the new releases of the 3rd Generation Partnership Project (3GPP) standard. 5G generation is dedicated to civilian users and the conducted analytical work shows that it has numerous technological gaps that prevent its direct implementation in military communications systems. However, the recent armed world conflicts showed that...
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Is it possible to create a unified urban greenery management system (UGMS) on a national scale? The concept for EU Member State of Poland
PublikacjaMotives: Currently developed urban greenery management systems (UGMS) are limited in scope and profiled towards solving particular issues. Moreover, due to the lack of common standards and solutions, UGMS implementation requires considerable financial effort, which is only feasible for wealthy urban centres. There is a need for universal, cost-effective technological solutions which could constitute a common urban green infrastructure...
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The Effect of Surface Treatment with Isocyanate and Aromatic Carbodiimide of Thermally Expanded Vermiculite Used as a Functional Filler for Polylactide-Based Composites
PublikacjaIn this work, thermally expanded vermiculite (TE-VMT) was surface modified and used as a filler for composites with a polylactide (PLA) matrix. Modification of vermiculite was realized by simultaneous ball milling with the presence of two PLA chain extenders, aromatic carbodiimide (KI), and 4,4’-methylenebis(phenyl isocyanate) (MDI). In addition to analyzing the particle size of the filler subjected to processing, the efficiency...
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Study on a polish peat bog “Rucianka” as a source of yeast strains capable of effective phenol biodegradation
PublikacjaPhenol is one of the most widely distributed environmental pollutants which can be found in wastewaters and industrial effluents. Due to its toxicity and resistance to self-degradation, it could become even lethal for humans and animals. The treatment of this toxic compound is focused on psychical–chemical methods, although biological treatment of phenol is preferable for economic aspects related to relatively...
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SEM/EDX data of (Cr,Fe,Mn,Co,Ni)3O4 High-entropy spinel oxide thin films deposited on amorphous SiO2 substrate by spray pyrolysis techniqe
Dane BadawczeThis Data set include SEM and EDX results of (Mn,Co,Fe,Ni,Cr)3O4 high-entropy spinel oxide prepared in the form of a ~ 500 nm thin film utilising a facile spray pyrolysis technique. The structural and electrical properties of the layers were characterised after exposure to temperatures in the range of 400–900 ◦C. The as-deposited layers were amorphous,...
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TEM data of (Cr,Fe,Mn,Co,Ni)3O4 High-entropy spinel oxide thin films deposited on amorphous SiO2 substrate by spray pyrolysis techniqe
Dane BadawczeThis Dataset include presentation of summarized TEM investigation of (Mn,Co,Fe,Ni,Cr)3O4 high-entropy spinel oxide prepared in the form of a ~ 500 nm thin film utilising a facile spray pyrolysis technique. The structural and electrical properties of the layers were characterised after exposure to temperatures in the range of 400–900 ◦C. The as-deposited...
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The XRD diffraction patterns of (La0.3Sr0.6Ce0.1)0.9FexTi(1-x)O3-δ (x=0.1, 0.2 and 0.3) materials after reduction at 900 deg.C in hydrogen
Dane BadawczeThe (La0.3Sr0.6Ce0.1)0.9FexTi(1-x)O3-δ (x=0.1, 0.2 and 0.3) materials were synthesized via the Pechini method. First, the reagents in the form of nitrates were weighed and dissolved in DI water. In another beaker, a stoichiometric amount of titanium (IV) butoxide (Ti(OBu)4) was mixed together with reagent-grade ethylene glycol (EG), and citric acid...
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Database of the estimations of the numbers of simplices of triangulation of some classical Lie groups
Dane BadawczeIt is know that any smooth manifold can be triangulated. The number of simplices of triangulation of a given manifold depends on its topological and combinatorial structure. The data consists of the lower bounds for the numbers of simplices of each dimension of any triangulation of classical Lie groups U(n), SU(n), Sp(n), and SO(n) for n up to 25. Each...
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A quantitative approach for risk assessment of a ship stuck in ice in Arctic waters
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A Fuzzy Event Tree Model for Accident Scenario Analysis of Ship Stuck in Ice in Arctic Waters
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Towards a probabilistic model for predicting ship besetting in ice in Arctic waters
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The structure of liquid lead: EXAFS and MD studies
PublikacjaPraca 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...
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Chiroptical methods in a wide wavelength range for obtaining Ln3+ complexes with circularly polarized luminescence of practical interest
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Heterogeneity of national accounting systems, world-class universities and financial resources: What are the links?
PublikacjaThis study investigates the relationship between university financial resources, applied accounting systems, and the place of a university in the Shanghai Ranking. We find a strong relationship between the financial resources under the control of a world-class university and the position of that university in the highest tier of the global ranking. We propose a model (available online) to predict a university’s tier in the ranking...
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Graphene-Coated PVDF Membranes: Effects of Multi-Scale Rough Structure on Membrane Distillation Performance
PublikacjaGraphene-coated membranes for membrane distillation have been fabricated by using a wet-filtration approach. Graphene nanoplatelets have been deposited onto PVDF membrane surfaces. Morphology and physicochemical properties have been explored to evaluate the changes in the surface topography and related effects on the membrane performance in water desalination. The membranes have been tested in membrane distillation plants by using...
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Transparent thin films of Cu-TiO2 with visible light photocatalytic acitivity
PublikacjaThin films of Cu–TiO2 with a high level of transparency were prepared by a dip-coating procedure on the glass surface. CuCl2 was used as a copper precursor added during sol – gel synthesis of TiO2. The extension of optical absorption into the visible region of as-prepared thin films was indicated by UV/Vis spectroscopy. Only the anatase phase was detected by X-ray di ffraction analysis (XRD). The presence of copper in the structure...
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A structural study of the hydrated and the dimethylsulfoxide, N, N´-dimet-hylpropyleneurea, acetonitryle, pyridine and N,N-dimethylthioformamide solvated nickel(II) ion in solution and solid state.
PublikacjaOznaczono strukturę w stanie stałym i ciekłym solwatowanego jonu niklu(II) w rozpuszczalnikach o różnych właściwościach donorowych: w wodzie, dimetylo-sulfotlenku, N,N`-dimetylopropylomoczniku, acetonitrylu, pirydynie i N,N-di-metylotioformamidzie. Stwierdzono, że nikiel(II) tworzy przede wszystkim sześciokoordynacyjne solwaty (woda, acetonitryl, DMTF). Jako solwat pięciokoordynacyjny istnieje tylko w dimetylopropylomoczniku....
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Analiza danych pomiarowych na potrzeby obrazowania optyczną tomografią koherentną
PublikacjaW rozdziale omówiono wybrane aspekty związane z analizą danych pomiarowych na potrzeby obrazowania metodą optycznej tomografii koherentnej. Przedstawiono podstawowe zależności umożliwiające obrazowanie tkanek na podstawie analizy promieniowania wstecznie rozproszonego, mierzonego przez systemy OCT pracujące w dziedzinie czasu (TD-OCT) lub w dziedzinie częstotliwości (FD-OCT). Pokazano, że wykorzystując zaawansowane przetwarzanie...
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Topochemical, Single‐Crystal‐to‐Single‐Crystal [2+2] Photocycloadditions Driven by Chalcogen‐Bonding Interactions
PublikacjaThe face-to-face association of (E)-1,2-di(4-pyridyl)ethylene (bpen) molecules into rectangular motifs stabilized for the first time by chalcogen bonding (ChB) interactions is shown to provide photoreactive systems leading to cyclobutane formation through single-crystal-to-single-crystal [2+2] photodimerizations. The chelating chalcogen bond donors are based on original aromatic, ortho-substituted bis(selenocyanato)benzene derivatives...
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Approaches to Static Digestion Models
PublikacjaIt is not possible to look in detail at the wide range of static digestion methods that have been used to date. However, this section looks at some of the general approaches that have been used to look at the digestion of various nutrients and bioactives. I have focussed on the two main nutrients that undergo digestion in the upper GI tract, namely protein and lipid. In the case of protein, the research has largely been driven...
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Recycling of Plastic Wastes for the Mass Production of Yolk–Shell-Nanostructured Co3O4@C for Lithium-Ion Batteries
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Recycling of Plastic Wastes for the Mass Production of Yolk–Shell-Nanostructured Co3O4@C for Lithium-Ion Batteries
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Conductive Thermoplastic Polyurethane Nanocomposite Foams Derived from a Cellulose/MWCNTs Aerogel Framework: Simultaneous Enhancement of Piezoresistance, Strength, and Endurance
PublikacjaHigh 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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Relative product diversification in the course of economic development: import-export analysis.
PublikacjaThis paper contributes to trade diversification literature by comparing changes in relative (i.e. assessed in comparison with world patterns) heterogeneity of import and export structures in the process of economic development. In particular, by focusing on the diversification of imports, we add a missing piece to already analysed export trends. We use highly disaggregated trade statistics (4963 product lines) for 163 countries...
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Un nuovo fiume carsico. La deindustrializzazione in Italia nel dibattito pubblico
PublikacjaThe article examines the evolution of the debate on deindustrialization in Italy since its first appearance in 1980's up to the present day. Dramatic alarms alternate with long silences in a framework, both national and international, in which the most important economic organizations are struggling, apparently without success, to find a common definition of deindustrialization.
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Total electrical conductivity data of (Cr,Fe,Mn,Co,Ni)3O4 High-entropy spinel oxide thin films deposited on amorphous SiO2 substrate by spray pyrolysis techniqe
Dane BadawczeThis dataset includes electrical conductivity measurements results measured by van der pauw technique up to 900oC.
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Depth chemical profile in a CeIr3 sample
Dane BadawczeThe polycrystalline sample of CeIr3 used in the present studies was synthesized by arc-melting cerium (4N) and iridium (3N5) in an arc furnace on a water-cooled copper hearth using a tungsten electrode under a high purity argon atmosphere. A piece of zirconium was used as an oxygen getter. First, a button of Ir was prepared by arc-melting the iridium...
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Ultrafast Intramolecular Relaxation and Wave-Packet Motion in a Ruthenium-Based Supramolecular Photocatalyst
PublikacjaThe hydrogen-evolving photocatalyst [(tbbpy)2 Ru(tpphz)Pd(Cl)2 ](2+) (tbbpy=4,4'-di-tert-butyl-2,2'-bipyridine, tpphz=tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine) shows excitation-wavelength-dependent catalytic activity, which has been correlated to the localization of the initial excitation within the coordination sphere. In this contribution the excitation-wavelength dependence of the early excited-state relaxation...
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Photophysics of a Ruthenium 4H-Imidazole Panchromatic Dye in Interaction with Titanium Dioxide
PublikacjaThe photophysics of bis(4,4′-di-tert-butyl-2,2′-bipyridine-κ2N,N′)[2-(4-carboxyphenyl)-4,5-bis(p-tolylimino-κN)imidazolato]ruthenium(II) hexafluorophosphate is investigated, both in solution and attached to a nanocrystalline TiO2 film. The studied substitution pattern of the 4H-imidazole ligand is observed to block a photoinduced structural reorganization pathway within the 4H-imidazole ligand that has been previously investigated....
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A novel methodology for the enantiomeric resolution of methamphetamine, its precursors and intermediates by GC-MS
PublikacjaImpurity profiling and classification of abused drugs using chiral analytical techniques is of particular interest and importance because of the additional information obtained from this approach. When these methods are applied to the synthesis of illicitly used substances, they can supply valuable information about the conditions/chemicals used in the synthesis. In this study, simultaneous chiral separation of methylamphetamine,...
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"Food Oxidants and Antioxidants" Book review
PublikacjaThe book is the 14th title in the CRC series Chemical and Functional Properties of Food Components, edited since 2001 by Zdzisław E. Sikorski. The editor of the book, a professor in the University of Łódź and member of the Polish Academy of Sciences, is an internationally recognized authority in biochemistry and biophysics of reactive oxygen species. In Poland Grzegorz Bartosz has a reputation as the author of his most interesting...
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Navier number and transition to turbulence
PublikacjaThe motivation behind this article is to explain a role of the Navier number (Na -dimensionless slip-length) in prediction of closures for laminar to turbulent transition undergoing via eddies detachment from the slip layer in nano-cannals. Additionally the role of the Navier number Na in universal modeling of phenomenon of enhanced mass flow rate reported in micro- and nano-channels has been explained. The Na number should be...
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Evaluation of structural and electrical properties of multicomponent spinel oxide thin films deposited via spray pyrolysis technique
PublikacjaThis work reports the preparation of (Mn,Co,Fe,Ni,Cr)3O4 high-entropy spinel oxide in the form of a ~ 500 nm thin film utilising a facile spray pyrolysis technique. The structural and electrical properties of the layers were characterised after exposure to temperatures in the range of 400–900 ◦C. The as-deposited layers were amorphous, and crystallised upon heat treatment at 500 ◦C. Microstructural analyses proved a homogeneous...
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Synthesis and Structure of Novel Copper(II) Complexes with N,O- or N,N-Donors as Radical Scavengers and a Functional Model of the Active Sites in Metalloenzymes
PublikacjaToevaluatetheantioxidantactivityofpotentialsyntheticenzymemimetics,wepreparednewfivecopper(II)complexesviaaself‐assemblymethodandnamedthem[Cu(2‐(HOCH2)py)3](ClO4)2(1),[Cu(2‐(HOCH2)py)2(H2O)2]SiF6(2),[Cu2(2‐(HOCH2CH2)py)2(2‐(OCH2CH2)py)2](ClO4)2(3),[Cu(pyBIm)3](BF4)2∙1.5H2O(4)and[Cu(py2C(OH)2)2](ClO4)2(5).ThesyntheticprotocolinvolvedN,O‐ orN,N‐donors:2‐(hydroxymethyl)pyridine(2‐(HOCH2)py),2‐(hydroxyethyl)pyridine(2‐(HOCH2CH2)py),2‐(2‐pyridyl)benzimidazole(pyBIm),di(2‐pyridyl)ke‐tone(py2CO).TheobtainedCu(II)complexeswerefullycharacterisedbyelementalanalysis,FTIR,EPR,UV‐Vis,single‐crystalX‐raydiffractionandHirshfeldsurfaceanalysis.Crystallographicandspectroscopicanalysesconfirmedchromophoresofbothmonomeric({CuN3O3}(1),{CuN2O4}(2),{CuN6}(4),{CuN4O2}(5))anddimericcomplex({CuN2O3}(3)).Mostoftheobtainedspeciespos‐sessedadistortedoctahedralenvironment,exceptdimer3,whichconsistedoftwocoppercentreswithsquarepyramidalgeometries.Thewater‐solublecompounds(1,3and5)wereselectedforbiologicaltesting.Theresultsofthestudyrevealedthatcomplex1insolutionsdisplayedbetterradicalscavengingactivitythancomplexes3,5andfreeligands.Therefore,complex1hasbeenselectedforfurtherstudiestotestitsactivityasanenzymemimetic.Thechosencompoundwastestedontheerythrocytelysateoftwogroupsofpatientsafterundergoingchemotherapyandchemoradiotherapy.Theeffectofthetestedcompound(1)onenzymeactivitylevels(TAS,SODandCAT)suggeststhattheselectedcomplexcanbetreatedasafunctionalmimeticoftheenzymes.
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Modyfikacja biodegradowalnych poliestrów alifatycznych za pomocą inicjatorów nadtlenkowych
PublikacjaCzynniki ekologiczne, ekonomiczne oraz większa świadomość społeczeństwa wpływają korzystnie na dynamiczny rozwój bio- degradowalnych materiałów, które sukcesywnie zastępują polimery „konwencjonalne”. Biodegradowalne polimery zarówno ze źródeł odnawialnych, jak i nieodnawialnych wzbudzają duże zainteresowanie wielu jednostek naukowo-badawczych oraz firm, głównie w zakresie ich modyfikacji. W pracy przedstawiono wyniki badań wpływu...
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Trinuclear Complexes Derived from R/S Schiff Bases – Chiral Single‐Molecule Magnets
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Trinuclear Complexes Derived from R/S Schiff Bases – Chiral Single‐Molecule Magnets
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Evolution of the nanostructure of Pt and Pt–Co polymer electrolyte membrane fuel cell electrocatalysts at successive degradation stages probed by X-ray photoemission
PublikacjaWe present a set of XPS (X-ray photoemission spectroscopy) measurements and detailed data-analysis of electrodes for polymer electrolyte membrane fuel cell (PEMFC) based on carbon supported catalysts (Pt and Pt–Co) subjected to a step-like potential cycling (accelerated degradation test). The results of the measurements complete and corroborate parallel TEM (transmission electron microscopy), XRD (X-ray diffraction) and XAS (X-ray...
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Structural change of carbon supported Pt nanocatalyst subjected to a step-like potential cycling in PEM FC
PublikacjaIn this paper we present detailed X-ray absorption fine structure (XAFS), X-ray diffraction (XRD) and transmission electron microscopy (TEM) investigations of the changes in the local geometric and electronic structure of Pt nanoparticles used as a cathode catalyst in proton exchange membrane fuel cell (PEMFC), working under controlled potential cycling conditions.
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Local structural and chemical ordering of nanosized Pt(3±δ)Co probed by multiple-scattering x-ray absorption spectroscopy
PublikacjaThis work reports a detailed investigation of the local structure and chemical disorder of a Pt(3±δ)Co thin film and Pt(3±δ)Co nanoparticles. We have used a combination of techniques including x-ray absorption spectroscopy (XAS), x-ray diffraction (XRD), and high-resolution transmission electron microscopy (TEM). The important effect of chemical ordering on pair and three-atom configurations has been studied using computer simulations...
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A XAS study of a highly diluted Pt electrocatalyst operating in PEM fuel cells
PublikacjaWe present an X-ray absorption spectroscopy (XAS) study of a low Pt content catalyst layer(Pt loading 0.1 mg c2) operating at the cathode of a proton exchange membrane fuel cell(PEMFC). This catalyst is based on the use of a mesoporous inorganic matrix as a support forthe catalyst Pt nanoparticles. Due to the high Pt dilution, in situ measurements of itsstructural properties by XAS are challenging and suitable experimental strategies...
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Magetic field effects on organic electrophosphorescence.
PublikacjaPo raz pierwszy zarejestrowano kilkuprocentowy wzrost kwantowej wydajności elektroluminescencji (EL) w diodach z emiterami fosforescencyjnymi Ir(ppy)3 i PtOEP umieszczonymi w zewnętrznym polu magnetycznym. Zaobserwowane zmiany wyjaśniono na podstawie magnetycznej modulacji oddziaływań nadsubtelnych powodujących wzajemną konwersję singletowych i trypletowych skorelowanych par elektron-dziura (e-h).
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Magnetic field effects on emission and current in Alq3 - based electroluminescent devices.
PublikacjaW pracy zaobserwowano stromy wzrost natężenia elektroluminescencji w polach magnetycznych nie przekraczających 300mT. Efekt ten wywołany jest magnetyczno polową redukcją stopnia zmieszania singletowych i trypletowych par elektron dziura, wymuszonego przez nadsubtelne oddziaływanie spinów elektronowych z ich otoczeniem jądrowym.