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Wydział Fizyki Technicznej i Matematyki Stosowanej
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Rok 2024
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Simulations of the Behavior of Granular Bodies Using the Discrete Element Approach
PublikacjaZachowanie niespójnych ciał ziarnistych opisano metodą elementów dyskretnych (DEM) w warunkach quasi-statycznych dwu- i trójwymiarowych. Do symulacji nieregularnego kształtu granulatu wykorzystano kule z momentami kontaktowymi lub skupiska sztywnych kul. Początkowo badano dwa różne problemy dla zagęszczonego materiału ziarnistego: pasywne przemieszczanie ściany oporowej i ściskanie w płaskim stanie odkształceń pod stałym ciśnieniem...
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Singlet and triplet excited states of a series of BODIPY dyes as calculated by TDDFT and DLPNO-STEOM-CCSD methods
PublikacjaThe singlet and triplet excited states of three iodine substituted BODIPY dyes differing by their substituent (-phenyl, -phenylOH and -phenylNO2) at the meso position of the BODIPY core (BOD) are investigated by (TDA)-TDDFT and DLPNO-STEOM-CCSD calculations. An assessment of hybrid (B3LYP and MN15) and double hybrid (SOS-PBE-QIDH and SOS-ωPBEPP86) exchange-correlation functionals is performed with respect to the DLPNO-STEOM-CCSD...
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Statistical Method for Analysis of Interactions Between Chosen Protein and Chondroitin Sulfate in an Aqueous Environment
PublikacjaWe present the statistical method to study the interaction between a chosen protein and another molecule (e.g., both being components of lubricin found in synovial fluid) in a water environment. The research is performed on the example of univariate time series of chosen features of the dynamics of mucin, which interact with chondroitin sulfate (4 and 6) in four different saline solutions. Our statistical approach is based on recurrence...
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Structural phase transitions in multicomponent La0.2Nd0.2Sm0.2Gd0.2RE50.2NbO4 (RE5 = Ho, Y, Tb, Eu, Pr) oxides
PublikacjaIn this work, the influence of compositional complexity on the structural and thermal properties of multicomponent rare-earth ortho-niobates from the La0.2Nd0.2Sm0.2Gd0.2RE50.2NbO4 (RE5 = Ho, Y, Tb, Eu, Pr) series have been investigated. Based on X-ray powder diffraction studies using synchrotron radiation, it was found that all tested materials were pure single-phase compositions and showed stability in the monoclinic I2/c crystal...
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Studies of the Interaction Dynamics in Albumin-Chondroitin Sulfate Systems by Recurrence Method
PublikacjaThe physicochemical basis of lubrication of articular cartilage is still not fully understood. However, the synergy between components of the synovial fluid can be a crucial factor that could explain this phenomenon. This work presents a nonlinear data analysis technique named the recurrence method, applied to the system involving two components of synovial fluid: albumin and chondroitin sulfate (CS) immersed in a water environment....
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Study of the optical rotatory of potassium titanyl phosphate using the advanced dual-wavelength polarimetric method
PublikacjaA dual-wavelength high-accuracy universal polarimeter was applied to the circular birefringence and optical activity measurement in potassium titanyl phosphate (KTP) nonlinear crystal. The experimental setup used two single-mode He-Ne lasers with close wavelengths of 594 and 633 nm as light sources. Measurement has been carried out for two crystal settings in directions of a 45-degree relative angle to the [100] and [010] crystallographic...
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Superconductivity–Electron Count Relationship in Heusler Phases─the Case of LiPd2Si
PublikacjaWe report superconductivity in the full Heusler compound LiPd2Si (space group Fm3̅m, No. 225) at a critical temperature of Tc = 1.3 K and a normalized heat capacity jump at Tc, ΔC/γTc = 1.1. The low-temperature isothermal magnetization curves imply type-I superconductivity, as previously observed in LiPd2Ge. We show, based on density functional theory calculations and using the molecular orbital theory approach, that while LiPd2Si...
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Synthesis and physical properties of Sm2PdGe3 in a context of RE2PdGe3 family
PublikacjaIn this study, we present the crystallographic and magnetic characterization of a new intermetallic compound Sm2PdGe3, which was synthetized by a two stage method employing an eutectic alloy. The investigations carried out exhibited, that Sm2PdGe3 crystallize in AlB2-type structure with lattice parameters a = 4.2189(1) Å and c = 4.1031(2) Å. This compound can be classified as a cluster-glass with a spin freezing temperature Tf...
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Tailoring Defects in B, N-Codoped Carbon Nanowalls for Direct Electrochemical Oxidation of Glyphosate and its Metabolites
PublikacjaTailoring the defects in graphene and its related carbon allotropes has great potential to exploit their enhanced electrochemical properties for energy applications, environmental remediation, and sensing. Vertical graphene, also known as carbon nanowalls (CNWs), exhibits a large surface area, enhanced charge transfer capability, and high defect density, making it suitable for a wide range of emerging applications. However, precise...
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Tailoring Physicochemical Properties of V2O5 Nanostructures: Influence of Solvent Type in Sol-Gel Synthesis
PublikacjaThe influence of different solvents, including aqueous and nonaqueous types, on the physicochemical properties of V2O5 nanostructures was thoroughly investigated. Various characterization techniques, such as XRD, XPS, FTIR, Raman spectroscopy, UV-vis DRS, SEM, TEM, and BET, were employed to analyze the obtained materials. Additionally, the adsorption properties of the synthesized V2O5 nanostructures for methylene blue were examined,...
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Tailoring the Transport Layer Interface for Relative Indoor and Outdoor Photovoltaic Performance
PublikacjaThe ability to achieve notable indoor power conversion efficiency (PCE) makes organic photovoltaics (OPV) a potential technology for indoor applications. Currently, ongoing research in indoor OPVs focuses on improving both their indoor PCE and their stability. However, little attention has been given to investigating the fabrication yield of indoor OPVs, a pivotal determinant of their potential commercial viability. In this study,...
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Tailor-Made Polysaccharides for Biomedical Applications
PublikacjaPolysaccharides (PSAs) are carbohydrate-based macromolecules widely used in the biomedical field, either in their pure form or in blends/nanocomposites with other materials. The relationship between structure, properties, and functions has inspired scientists to design multifunctional PSAs for various biomedical applications by incorporating unique molecular structures and targeted bulk properties. Multiple strategies, such as...
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Testing Topological Conjugacy of Time Series
PublikacjaThis paper considers a problem of testing, from a finite sample, a topological conjugacy of two trajectories coming from dynamical systems (X, f ) and (Y, g). More precisely, given x1, . . . , xn \subset X and y1, . . . , yn \subset Y such that xi+1 = f (xi) and yi+1 = g(yi) as well as h : X \rightarrow Y, we deliver a number of tests to check if f and g are topologically conjugated via h. The values of the tests are close to...
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The catalytic activity of metal–organic frameworks (MOFs) and post-synthetic modified MOF towards depolymerisation of polycarbonate
PublikacjaChemical recycling of polycarbonate (PC) recovers valuable chemicals like monomers but often requires catalysts for mild reaction conditions and high conversion rates. This study explores the use of metal–organic frameworks (MOFs) as catalysts for PC methanolysis. We investigated the catalytic activity of amine-containing MOFs, specifically ZIF-8, MAF-6, and UiO-66-NH2, which have basic active sites favouring PC depolymerisation....
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The influence of azide and imidazole on the properties of Mn- and Cd-based networks: conductivity and nonlinear phenomena
PublikacjaWe report a study on a family of four new Mn- and Cd-azide-imidazolate-based compounds with various crystal architectures. Notably, three of these compounds display noncentrosymmetric crystal arrangements at room temperature, a rare phenomenon in hybrid organic–inorganic materials. Both nonlinear optical (NLO) and electrical phenomena in these compounds are observed. The NLO processes include second and third harmonic generation,...
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The relative cup-length in local Morse cohomology
PublikacjaLocal Morse cohomology associates cohomology groups to isolating neighborhoods of gradient flows of Morse functions on (generally non-compact) Riemannian manifolds M. We show that local Morse cohomology is a module over the cohomology of the isolating neighborhood, which allows us to define a cup-length relative to the cohomology of the isolating neighborhood that gives a lower bound on the number of critical points of functions...
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Ti4Ir2O : A time reversal invariant fully gapped unconventional superconductor
PublikacjaHere we report muon spin rotation (μSR) experiments on the temperature and field dependence of the effective magnetic penetration depth λ(T ) in the η-carbide-type suboxide Ti4Ir2O, a superconductor with a considerably high upper critical field. The temperature dependence of λ(T ), obtained from transverse-field (TF)-μSR measurements, is in perfect agreement with an isotropic fully gaped superconducting state. Furthermore, our...
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TiO2 nanotubes modification by photodeposition with noble metals: Characterization, optimization, photocatalytic activity, and by-products analysis
PublikacjaSelf-organized TiO2 nanotubes (TNTs) with 4 µm length were obtained by anodization method and calcined to obtain anatase crystallite phase. The photocatalysts were further decorated with Au, Ag, Pt or Pd nanoparticles (NPs), varying the metal loads (0.50, 0.75, 1, 2 and 5 mol%) by photodeposition. The material characterization confirmed the presence of nanoparticles in the TNTs surface, signs of the localized surface plasmon resonance...
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Triplet–Triplet Annihilation Upconverting Liposomes: Mechanistic Insights into the Role of Membranes in Two-Dimensional TTA-UC
PublikacjaTriplet−triplet annihilation upconversion (TTA-UC) implemented in nanoparticle assemblies is of emerging interest in biomedical applications, including in drug delivery and imaging. As it is a bimolecular process, ensuring sufficient mobility of the sensitizer and annihilator to facilitate effective collision in the nanoparticle is key. Liposomes can provide the benefits of two-dimensional confinement and condensed concentration...
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Tunable emission and energy transfer of B2O3–Bi2O3–AlF3 glass system doped with Eu3+/Dy3+
PublikacjaThe structure and luminescent properties of the B2O3–Bi2O–AlF3 glass system doped with Eu3+/Dy3+ ions in different molar ratios were studied. A series of glasses were synthesized by the conventional melt quenching technique. Glass transition and crystallization temperatures were examined by Differential Thermal Analysis (DTA) measurements. The amorphous character of the prepared samples was confirmed by the X-ray diffraction (XRD)...
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Tuning the work function of graphite nanoparticles via edge termination
PublikacjaGraphite nanoparticles are important in energy materials applications such as lithium-ion batteries (LIBs), supercapacitors and as catalyst supports. Tuning the work function of the nanoparticles allows local control of lithiation behaviour in LIBs, and the potential of zero charge of electrocatalysts and supercapacitors. Using large scale density functional theory (DFT) calculations, we find that the surface termination of multilayer...
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Tutoring rówieśniczy jako skuteczna metoda wspierania procesu uczenia się
PublikacjaW artykule przedstawione zostały zarówno teoretyczne podstawy, jak i praktyczne zastosowania efektywnej formy wsparcia dydaktycznego jaką jest tutoring rówieśniczy. Analizie poddane zostały zajęcia realizowane w ramach tutoringu rówieśniczego na Wydziale Fizyki Technicznej i Matematyki Stosowanej Politechniki Gdańskiej. Analiza obejmuje ocenę efektywności tych zajęć, zaangażowanie studentów oraz ich satysfakcję z procesu nauki....
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Two-Dimensional CrCl3-Layered Trihalide Nanoflake Sensor for the Detection of Humidity, NO2, and H2
PublikacjaThis study demonstrates that few-layer two-dimensional (2D) CrCl3 transition-metal trihalides (TMTHs; MX3, where M = Ti, V, Cr, Mo, Fe, Ru, and X = Cl, Br, or I) exhibit promising capabilities as chemoresistive sensors for humidity and NO2, H2, and NH3 gases, representing suitable 2D interfaces for gas-sensing applications. Liquid-phase-exfoliated 2D-CrCl3 flakes spin-coated over interdigital substrates exhibit higher chemical...
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Ultrahigh Quantum Efficiency Near-Infrared-II Emission Achieved by Cr3+ Clusters to Ni2+ Energy Transfer
PublikacjaIncreasing demand for near-infrared-II (NIR-II) light sources requires improved NIR-II phosphors. We present a series of phosphors codoped with Cr3+ and Ni2+ that possess NIRII emission with an unprecedented internal quantum efficiency (IQE) of 97.4%. Our study reveals an energy transfer mechanism involving clusters of Cr3+ where luminescent centers are closely matched in energy and where the Ni2+ emission intensity can be tuned...
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Unbounded quantum advantage in communication complexity measured by distinguishability
PublikacjaCommunication complexity is a fundamental aspect of information science, concerned with the amount of communication required to solve a problem distributed among multiple parties. The standard quantification of one-way communication complexity relies on the minimal dimension of the communicated systems. In this paper, we measure the communication complexity of a task by the minimal distinguishability required to accomplish it,...
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Understanding the Dominant Physics Mechanisms on the p-i-n Perovskite Solar Cells Fabricated by Scalable Slot-Die Coating Process in Ambient Air
PublikacjaPerovskite solar cells (PSC) are emerging technologies that have shown continuous improvement in power conversion efficiency (PCE) and stability. However, a very important aspect that has been seldom considered is the reproducibility of PCE of PSC devices. It is possible to achieve PCE from 10.21% to 17.05% using scalable slot-die-coating technique. However, a spatial distribution of performance is clearly observed for device samples...
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Unraveling the role of boron dimers in the electrical anisotropy and superconductivity in boron-doped diamond
PublikacjaWe use quantum mechanics (QM) to determine the states formed by B dopants in diamond. We find that isolated B sites prefer to form BB dimers and that the dimers pair up to form tetramers (BBCBB) that prefer to aggregate parallel to the (111) surface in the <110> direction, one double layer below the H-terminated surface double layer. These tetramers lead to metallic character (Mott metal Insulator Transition) with holes in the...
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Unusual dynamics and nonlinear thermal self-focusing of initially focused magnetoacoustic beams in a plasma
PublikacjaUnusual thermal self-focusing of two-dimensional beams in plasma which axis is parallel to the equilibrium straight magnetic field is considered. The equi- librium parameters of plasma determine scenario of a beam divergence (usual or unusual) which is stronger as compared with a flow without magnetic field. Nonlinear thermal self-action of a magnetosonic beam behaves differently in the ordinary and unusual cases. Damping of wave...
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Unveiling the electron-induced ionization cross sections and fragmentation mechanisms of 3,4-dihydro-2H-pyran
PublikacjaThe interactions of electrons with molecular systems under various conditions are essential to interdisciplinary research fields extending over the fundamental and applied sciences. In particular, investigating electron-induced ionization and dissociation of molecules may shed light on the radiation damage to living cells, the physicochemical processes in interstellar environments, and reaction mechanisms occurring in combustion...
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YADE - An extensible framework for the interactive simulation of multiscale, multiphase, and multiphysics particulate systems
PublikacjaThis contribution presents the key elements of YADE, an extensible open-source framework for dynamic simulations. During the past 19 years, YADE has evolved from "Yet Another Dynamic Engine"' to a versatile multiscale and multiphysics solver, counting a large, active, and growing community of users and developers. The computationally intense parts of the source code are written in C++, using flexible object models that allow for...
Rok 2023
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A BODIPY‐Based Molecular Rotor in Giant Unilamellar Vesicles: A Case Study by Polarization‐Resolved Time‐Resolved Emission and Transient Absorption Spectroscopy
PublikacjaBODIPY and BODIPY-derived systems are widely applied as fluorophores and as probes for viscosity detection in solvents and biological media. Their orientational and rotational dynamics in biological media are thus of vital mechanistic importance and extensively investigated. In this contribution, polarization-resolved confocal microscopy is used to determine the orientation of an amphiphilic BODIPY-cholesterol derivative in homogeneous...
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A convergence result for mountain pass periodic solutions of perturbed Hamiltonian systems
PublikacjaIn this work, we study second-order Hamiltonian systems under small perturbations. We assume that the main term of the system has a mountain pass structure, but do not suppose any condition on the perturbation. We prove the existence of a periodic solution. Moreover, we show that periodic solutions of perturbed systems converge to periodic solutions of the unperturbed systems if the perturbation tends to zero. The assumption on...
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A Generalized Version of the Lions-Type Lemma
PublikacjaIn this short paper, I recall the history of dealing with the lack of compactness of a sequence in the case of an unbounded domain and prove the vanishing Lions-type result for a sequence of Lebesgue-measurable functions. This lemma generalizes some results for a class of Orlicz–Sobolev spaces. What matters here is the behavior of the integral, not the space
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A Monte Carlo Strategy to simulate Positrons and Positronium in biological Materials
PublikacjaWe present an algorithm for Monte Carlo simulations of positron tracks in biological materials. The algorithm takes into account the cross-section data for elastic and inelastic collisions between positrons and molecules and processes like direct annihilation, ionization and positronium formation. In the case of positronium formation, the algorithm considers the interactions of positronium with molecules. The algorithm can be used...
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A Note on Fractional Curl Operator
PublikacjaIn this letter, we demonstrate that the fractional curl operator, widely used in electromagnetics since 1998, is essentially a rotation operation of components of the complex Riemann–Silberstein vector representing the electromagnetic field. It occurs that after the wave decomposition into circular polarisations, the standard duality rotation with the angle depending on the fractional order is applied to the left-handed basis vector...
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A note on simple bifurcation of equilibrium forms of an elastic rod on a deformable foundation
PublikacjaWe study bifurcation of equilibrium states of an elastic rod on a two-parameter Winkler foundation. In the article "Bifurcation of equilibrium forms of an elastic rod on a two-parameter Winkler foundation" [Nonlinear Anal., Real World Appl. 39 (2018) 451-463] the existence of simple bifurcation points was proved by the use of the Crandall-Rabinowitz theorem. In this paper we want to present an alternative proof of this fact based...
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About definition of modes and magnetosonic heating in a plasma’s flow: Especial cases of perpendicular and nearly perpendicular wave vector and magnetic field
PublikacjaDynamics of hydrodynamic perturbations in a plasma depend strongly on an angle between the wave vector and equilibrium straight magnetic field. The case of perpendicular propagation is especial. There are only two (fast) magnetosonic modes since two (slow) ones degenerate into the stationary one with zero speed of propagation. This demands individual definition of wave modes by the links of hydrodynamic relations. These links are...
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An adaptive approach to non-destructive evaluation (NDE) of cast irons containing precipitated graphite particles with the help of magnetoacoustic emission
PublikacjaPhysical properties of cast irons strongly depend on both their microstructure and the presence of casting defects. The paper analyses the possibility of application of magnetoacoustic emission (MAE) for nondestructive detection of flawed cast iron components. The investigated samples containing dross, chunky graphite and lamellar graphite were compared with the reference, flawless, spheroidal cast iron sample. The optimisation...
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An electrochemical biosensor for the determination of hormone Human Chorionic Gonadotropin (hCG) in human serum
PublikacjaThis work describes the modification of a gold electrode to create an electrochemical biosensor capable of detecting human chorionic gonadotropin (hCG). The biosensor was obtained by modifying the gold electrode with cysteamine and oligopeptide (PPLRINRHILTR). The modification steps of the gold electrode were confirmed by cyclic voltammetry (CV) and impedance electrochemical spectroscopy (EIS) measurements. The conducted EIS experiments...
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Annealing Rate as a Crucial Parameter Controlling the Photoelectrochemical Properties of AuCu Mosaic Core–Shell Nanoparticles
PublikacjaThermal processing is an essential step during the synthesis of various metal nanostructures and for tailoring their morphology, optical, and electrochemical properties. Herein, a profound impact of the annealing rate and time on photoactivity of gold–copper nanostructures by changes in the position and alignment of energy levels and surface states is reported. AuCu nanoparticles (NPs) are fabricated by sputtering of thin metal...
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Bi-based halide perovskites: Stability and opportunities in the photocatalytic approach for hydrogen evolution
PublikacjaIn this study, we successfully prepared Bi-based single perovskites of the A3Bi2I9 type (A = Cs, Rb, MA, FA), and, for the first time, attempted to experimentally obtain double perovskites Cs2B’BiI6 type (B′ = Ag, Au, In, Cu). Despite the premises available in theoretical studies, our research has proven the impossibility of the existence of double perovskites of this type. Nevertheless, both types of obtained materials were subjected...
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Billiard in a rotating half-plane
PublikacjaThe main objective of this research is to study the properties of a billiard system in an unbounded domain with moving boundary. We consider a system consisting of an infinite rod (a straight line) and a ball (a massless point) on the plane. The rod rotates uniformly around one of its points and experiences elastic collisions with the ball. We define a mathematical model for the dynamics of such a system and write down asymptotic...
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BODIPY‐Perylene Charge Transfer Compounds; Sensitizers for Triplet‐Triplet Annihilation Up‐conversion
PublikacjaBODIPY heterochromophores, asymmetrically substituted with perylene and/or iodine at the 2 and 6 positions were prepared and investigated as sensitizers for triplet-triplet annihilation up conversion (TTA-UC). Single-crystal X-ray crystallographic analyses show that the torsion angle between BODIPY and perylene units lie between 73.54 and 74.51, though they are not orthogonal. Both compounds show intense, charge transfer absorption...
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Boron-doped diamond nanosheet volume-enriched screen-printed carbon electrodes: a platform for electroanalytical and impedimetric biosensor applications
PublikacjaThis paper focuses on the development of a novel electrode based on boron-doped diamond nanosheet full-volume-enriched screen-printed carbon electrodes (BDDPE) for use as an impedimetric biosensor. Impedimetric biosensors offer high sensitivity and selectivity for virus detection, but their use as point-of-care devices is limited by the complexity of nanomaterials’ architecture and the receptor immobilisation procedures. The study...
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Bovine Serum Albumin – Hydroxyapatite Nanoflowers as Potential Local Drug Delivery System of Ciprofloxacin
PublikacjaIntroduction: Hybrid nanoflowers are structures consisting of organic (enzymes, proteins, nucleic acids) and inorganic components (mostly metal phosphates) with a flower-like hierarchical structure. Novel hybrid nanoflowers based on bovine serum albumin (BSA) and hydroxyapatite (HA) were obtained and characterized. Study on BSA-HA nanoflowers as potential drug delivery system is reported for the first time. Methods: Embedding ciprofloxacin...
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Carbon nitride exfoliation for photocatalysis and photocatalytic ozonation over emerging contaminants abatement
PublikacjaThe production of graphitic carbon nitride was studied with the addition of a following exfoliation step using ultrasounds, at different times. The treatment produced catalysts with much higher surface areas, from 2.18 m2 g 1 with no treatment to 28.34 m2 g 1 after 36 h of exfoliation. During exfoliation, melem was also produced, and may further enhance the photoluminescence and photocatalytic properties. The photocatalytic reaction...
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Charge density wave and crystalline electric field effects in TmNiC2
PublikacjaSingle crystals of TmNiC2 were grown by the optical floating-zone technique and were investigated by x-ray diffraction (XRD), thermal expansion, electrical resistivity, specific heat, and magnetic susceptibility measurements. Single-crystal XRD reveals the formation of a commensurate charge density wave (CDW) characterized by a CDW modulation vector q2c = (0.5, 0.5, 0.5), which is accompanied by a symmetry change from the orthorhombic...
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Charge Transport in High-Entropy Oxides
PublikacjaThis 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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Collision Strengths of Astrophysical Interest for Multiply Charged Ions
PublikacjaThe electron impact excitation and ionization processes are crucial for modeling the spectra of different astrophysical objects, from atmospheres of late-type stars to remnants of supernovae and up to the light emission from neutron star mergers, to name just a few. Despite their signifi- cance, however, little is known quantitatively about these processes for low- and medium-impact energies of, say, Ekin . 5000 eV of the free...
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Comparison of Cu1.3Mn1.7O4 spinels doped with Ni or Fe and synthesized via wet chemistry and solid-state reaction methods, designed as potential coating materials for metallic interconnects
PublikacjaThe influence of the method applied to synthesize Cu-Mn-O spinel was evaluated. The methods selected for the investigation were EDTA gel processes and solid-state reaction synthesis. From the obtained powders, sinters were prepared and assessed in terms of their properties as potential coating materials. Additionally, the influence of Ni and Fe dopants was evaluated. The results show that the EDTA gel processes method seems to...