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Faculty of Applied Physics and Mathematics
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total: 958
Catalog Publications
Year 2025
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A facile synthesis by spark plasma sintering of mobile lithium ions into oxynitride glass-ceramic matrix: Insight and perspective
PublicationThe quest for efficient energy storage solutions has led to the development of solid-state Li-on batteries (SSBs), which utilize solid-state electrolyte (SSE) materials instead of organic liquid electrolytes. This study investigates the effect of increasing Li content in a Ca11Al14Si16O49N10 glass-ceramic material on its structural, thermal, physical, and electrical properties. Spark Plasma Sintered (SPS) glass-ceramic samples...
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Acceleration deforms exponential decays into generalized Zipf-Mandelbrot laws
PublicationAn exponentially decaying system looks as if its decay was a generalized power or double-exponential law, provided one takes into account the relativistic time dilation in a detector, the delay of the emitted signal, and the accelerations of both the source and the detector. The same mathematical formula can be found in generalizations of the Zipf-Mandelbrot law in quantitative linguistics and in the dynamics of ligand binding...
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An analogue of the Pöschl–Teller anharmonic oscillator on an N-dimensional sphere
PublicationA Schr{\"o}dinger particle on an $N$-dimensional ($N\geqslant2$) hypersphere of radius $R$ is considered. The particle is subjected to the action of a force characterized by the potential $V(\theta)=2m\omega_{1}^{2}R^{2}\tan^{2}(\theta/2) +2m\omega_{2}^{2}R^{2}\cot^{2}(\theta/2)$, where $0\leqslant\theta\leqslant\pi$ is the hyperlatitude angular coordinate. In the general case when $\omega_{1}\neq\omega_{2}$, this is a model of...
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Calculations of Cross-Sections for Positron Scattering on Benzene
PublicationIn this work, we present a theoretical study on positron scattering by benzene molecules over a broad energy range (1–1000 eV). The aim of this work is to provide missing data from partial cross-sections for specific processes. In particular, calculations of cross-sections for direct ionization and electronic excitation were carried out for benzene molecules in the gas phase. An estimate for the cross-section for positronium formation...
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Chemical Origins of Optically Addressable Spin States in Eu2(P2S6) and Eu2(P2Se6)
PublicationLanthanide materials with a 4f7 electron configuration (8S7/2) offer an exciting system for realizing multiple addressable spin states for qubit design. While the 8S7/2 ground state of 4f7 free ions displays an isotropic character, breaking degeneracy of this ground state and excited states can be achieved through local symmetry of the lanthanide and the choice of ligands. This makes Eu2+ attractive as it mirrors Gd3+ in exhibiting...
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Chitosan-Nanogold and Chitosan-Nanozinc Electrodeposited Coatings for Biomedical Applications
PublicationBacterial infections represent a significant challenge to the success rate of both short- and long-term titanium implants.Consequently, there is a persistent need for effective strategies to prevent such infections. In this study, chitosan-based coatingsmodified with gold or zinc nanoparticles, recognized for their antibacterial properties, were electrophoretically deposited (EPD)onto the Ti13Zr13Nb alloy and thoroughly characterized....
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Comment on "Study of perovskite JDCl3 (J = Fr, and D = Ca, Sr, Ge, Sn) materials for smart window and optoelectronic applications: A computational predictions” J. Phys. Chem. Solids 205 (2025) 112771
PublicationIn their recent article Shoukat Hussain et al. 1 report the results of their density functional theory (DFT) calculations on a series of four Francium-bearing cubic perovskite materials FrDCl3 (D = Ca, Sr, Ge, Sn), discussing their possible applications for smart windows and optoelectronics. In this comment, I highlight the issue of Fr instability that completely undermines the applicability of any Fr-based materials.
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Competing charge density wave phases in YNiC2
PublicationCharge density wave (CDW) orders in YNiC2 are studied by means of combined experimental and computational techniques. On the experimental side, single crystals grown by the floating-zone method were examined by means of x-ray diffraction, as well as transport and thermal techniques. Density functional theory (DFT) calculations founded on the experimentally determined parent and CDW-modified crystal structures provide details of...
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Corrosion Resistance and Structure of Cr−O−N Coatings Formed in Vacuum Arc Plasma Fluxes With PIIID
PublicationCr−O−N-based vacuum arc coatings are very promising for the wear and corrosion protection of various steel parts. The aim of the work was to determine the effect of frequency and amplitude of the pulsed bias voltage (UB) on the elemental and phase composition, mechanical, and corrosion properties of Cr−O−N coatings. They have an amorphous structure with embedded nanosized solid solution crystallites based on CrN with a cubic structure...
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Deep eutectic solvent enhances antibacterial activity of a modular lytic enzyme against Acinetobacter baumannii
PublicationIn this study, we evaluated the combined effect between MLE-15, a modular lytic enzyme composed of four building blocks, and reline, a natural deep eutectic solvent. The bioinformatic analysis allowed us to determine the spatial architecture of MLE-15, whose components were bactericidal peptide cecropin A connected via a flexible linker to the cell wall binding domain (CBD) of mesophilic 201ϕ2 − 1 endolysin and catalytic domain...
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Deep learning approach for combining global ionospheric maps for GNSS positioning
PublicationOne of the most widely used sources for information regarding the state of the ionosphere is the global ionospheric maps provided by the IGS service. These maps are created through a weighted average of solutions from various centers, including CODE, ESA, JPL and UPC. As technology has advanced, the application of artificial intelligence in ionospheric research has become more prevalent, motivating us to apply this approach to...
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Defective TiO2 for CO2 photoreduction: Influence of alkaline agent and reduction temperature modulation
PublicationThis study investigates the synthesis and characterization of Black TiO2 photocatalyst (TiO2-x) through the sol-gel method combined with NaBH4 reduction at different temperatures (350 °C, 500 °C, and 650 °C). The photocatalytic performance for CO2 reduction was evaluated, revealing that TiO2-x_500°C sample exhibited the highest efficiency. This enhanced performance is mainly attributed to a higher concentration of oxygen vacancies...
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Dold Coefficients of Quasi-unipotent Homeomorphisms of Orientable Surfaces
PublicationThe sequence of Dold coefficients $(a_n(f))$ of a self-map $f\colon X \to X$ forms a dual sequence to the sequence of Lefschetz numbers $(L(f^n))$ of iterations of $f$ under the M{\"o}bius inversion formula. The set $\cAP(f) = \{ n \colon a_n(f) \neq 0 \}$ is called the set of algebraic periods of~$f$. Both the set of algebraic periods and sequence of Dold coefficients play an important role in dynamical system and periodic point...
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Dynamic Electrochemical Impedance Spectroscopy in Galvanostatic Mode as a Tool for Passive Layer State Monitoring in a Chloride Solution Under a Mechanical Load
PublicationMechanical stress is one of the factors influencing the initiation of pitting corrosion and deterioration of the protective properties of the passive layer on stainless steel. The tests carried out on AISI 304L stainless steel showed that, in the 3.5% NaCl environment for samples loaded in the elastic and plastic range, no pitting corrosion initiation was observed. Only mechanical damage of the passive layer occurred. Galvanodynamic...
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Effect of AlF3 and KF addition on the structure and luminescent properties of P2O5 – K2O – Nb2O5 – Bi2O3 glasses doped with Eu3+
PublicationBased on the developed phosphate glasses P2O5–K2O–Bi2O3–Nb2O5 doped with Eu3+, the influence of AlF3 and KF on the structural and luminescent properties was investigated. For this purpose, three series of glasses containing from 5 to 15 mol% fluorides were synthesized. Two of the series included the KF additive, which was introduced in two ways - proportionally and disproportionately at the expense of the K2O share. The structural characterization...
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Effect of straw and wood biochar application on growth of Miscanthus × giganteus on marginal soil: a meso-scale study with shock short-term screening
PublicationThe effect of biochar (Bc) application on marginal soil fertility and growth of Miscanthus × giganteus (M × g) was investigated in a greenhouse-based short-term mesocosm experiment. Straw (SBc) and wood-based (WBc) biochars were added to poor class marginal soil (C = 0.5 %) in 5 volumetric ratios (0, 1, 2.5, 5, 10, 15 % v/v). The composition and nanostructure of SBc and WBc were assessed in reference to European Biochar Certificate...
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Effects of pyrocatechol on the computational, structural, spectroscopic and thermal properties of silver-modified hydroxyapatite
PublicationThis study investigates the synthesis and characterization of hydroxyapatite (HAp) ceramic biomaterials doped with silver (Ag) and pyrocatechol. HAp, commonly utilized in the treatment of hard tissues including teeth and bones, was produced and analyzed to assess the structural, morphological, elemental, and thermal properties of the materials. The phase and crystal structures of the synthesized HAp biomaterials were examined using...
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Efficacy of modal curvature damage detection in various pre-damage data assumptions and modal identification techniques
PublicationThe efficacy of modal curvature approach for damage localization is discussed in the paper in the context of input data. Three modal identification methods, i.e., Eigensystem Realization Algorithm (ERA), Natural Excitation Technique with ERA (NExT-ERA) and Covariance Driven Stochastic Subspace Identification (SSI-Cov), and four methods of determining baseline data, i.e., real measurement of the undamaged state, analytical function,...
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Elucidating charge transfer process and enhancing electrochemical performance of laser-induced graphene via surface engineering with sustainable hydrogel membranes: An electrochemist's perspective
PublicationLaser-induced graphene (LIG) has emerged as a promising solvent-free strategy for producing highly porous, 3D graphene structures, particularly for electrochemical applications. However, the unique character of LIG and hydrogel membrane (HM) coated LIG requires accounting for the specific conditions of its charge transfer process. This study investigates electron transfer kinetics and the electroactive surface area of LIG electrodes,...
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Enhanced electrochemical performance of sulfur-doped laser-induced graphene supercapacitors: Synergistic effects of doping and plasmochemical surface modification
PublicationThis work introduces a novel, scalable methodology for rapidly fabricating sulfur-doped laser-induced graphene with enhanced porosity and wetting characteristics, targeting advanced supercapacitor applications. An infrared laser scribing technique was employed to create a three-dimensional porous graphene network, with in-situ sulfur doping achieved through physical evaporation using powder precursor. A second-pass laser process...
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Evaluating oxide nanoparticle exsolution on A-site deficient PrBaCo2O6-δ electrodes
PublicationNanoparticle exsolution is a powerful technique for functionalizing redox oxides in energy applications, particularly at high temperatures. It shows promise for solid oxide fuel cells and electrolyzers. However, exsolution of other chemistries like metal oxides is not well studied, and the mechanism is poorly understood. This work explores oxide exsolution in PrBa1−xCo2O6−δ (x = 0, 0.05, 0.1, 0.15) double perovskites, practiced...
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Excited states of mono- and biruthenium(II) complexes adsorbed on nanocrystalline titanium dioxide studied by electroabsorption spectroscopy
PublicationComprehensive characterization of the lowest energy electronic excited states for mono- and binuclear Ru(II) complexes containing bipyridine ligands has been performed by electroabsorption (EA) spectroscopy. The EA spectra of Ru complexes sensitizing a TiO2 semiconductor were compared with the spectra of these complexes in the form of solid neat films, both of which parametrized within the Liptay theory. The extracted values of...
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Experimental and Theoretical Study on Electron Interactions with Acetic Acid Molecules
PublicationThe absolute total cross section for electron collisions with acetic acid has been measured using an electrostatic electron spectrometerand linear transmission method for collision energies ranging from 0.4 to 300eV. Elastic electron scattering from acetic acid within a low-energy range has also been studied theoretically using the Schwinger multichannel and R-matrix methods, in the static-exchange and static-exchange plus polarization...
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Fixed point indices of iterates of orientation-reversing homeomorphisms
PublicationWe show that any sequence of integers satisfying necessary Dold’s congruences is realized as the se quence of fixed point indices of the iterates of an orientation-reversing homeomorphism of R^m for m ≥ 3. As an element of the construction of the above homeomorphism, we consider the class of boundary preserving homeomorphisms of R^m_+ and give the answer to the problem posed by Barge and Wójcik (2017) [2] providing a complete...
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GRASPC – GRASP package adapted for the generation of continuum orbitals wave functions
PublicationThe GRASP package (https://github.com/compas/grasp ) is a widely used tool for performing fully relativistic bound electron structure calculations of atoms. Its latest official release is GRASP2018, but it has been continuously developed since then. The presented code, GRASPC, is the adaptation of that package allowing for calculations of the continuum orbital of electrons elastically scattered from atoms and ions. The calculated...
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Hybrid laser-micro-arc oxidation techniques for enhanced biocompatibility and surface modification of Ti13Nb13Zr alloy in biomedical applications
PublicationHybrid laser-micro-arc oxidation techniques for enhanced biocompatibility and surface modification of Ti13Nb13Zr alloy in biomedical applications
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Hydrogel membranes in organ-on-a-chip devices: A review
PublicationOrgan-on-a-chip (OoC) devices represent advanced in vitro models enabling to mimic the human tissue architecture function and physiology, providing a promising alternative to the traditional animal testing methods. These devices combine the microfluidics with soft materials, specifically hydrogel membranes (HMs) for mimicking the extracellular matrix (ECM) and biological barriers, such as the blood-brain barrier (BBB). Hydrogels...
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Influence of Alcohols on the Bending Rigidity and the Thickness of Phospholipid Membranes: The Role of Chain Length Mismatch
PublicationAlcohols influence the shape of the cells. To elucidate this phenomenon and understand the influence of alcohols on the mechanical properties of cell membranes such as bending rigidity, it is essential to investigate their effects on lipid bilayers. In this study, we explored the impact of short- and medium-chain alcohols on the bending rigidity and thickness of 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) bilayers in the...
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Influence of critical micelle concentration of choline-based long chain fatty acid soaps on their antibacterial activity against Methicillin resistant Staphylococcus aureus
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Investigation of structural, thermal, and electrical properties of sodium-doped oxynitride glass-ceramics
PublicationThis study aimed to investigate the influence of Na2O addition on the structural, thermal, and electrical characteristics of oxynitride glass-ceramics within the Na–K–Mg–Ca–Al–Si–O–N system. Oxynitride glass-ceramic samples were prepared via spark plasma sintering (SPS) with sodium oxide doping levels ranging from 0 wt% to 12 wt%. FESEM analysis revealed changes in sample morphology with increasing sodium content, indicating the...
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Investigation of the phase transition to the Ruddlesden–Popper phase in La- or Nb-doped Sr2Fe1.5Mo0.5O6−δ double perovskites and the impact of lanthanum or niobium doping
PublicationSr2Fe1.5Mo0.5O6−δ (SFM) is a well-known representative of the double perovskite family, recognized for its remarkable properties, such as good conductivity in air and hydrogen. However, this material can undergo a phase transition under reductive atmospheres, which might be a challenge for its practical use. Herein, we focus on the impact of lanthanum or niobium dopants, which would not only stabilize the structure during the reduction...
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Matrix elements for spin-orbit couplings in KRb
PublicationIn response to the need to investigate and create a reliable dataset of spin-orbit coupling matrix elements, we have extended our recent work in which we presented results for the potential energy curves and permanent and transition dipole moments in KRb. This paper presents 190 allowed spin-orbit couplings between 30 singlet and triplet +, , and electronic states of the KRb molecule. These results are crucial for accurately interpreting...
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Mixed, quantum-classical description of electron density transfer in the collision process
PublicationIn this work, we investigate an ion-atom model describing the time-dependent evolution of electron density during the collision. For a S3+- H system, numerical simulations are based on classical trajectory calculations, and the electron density behaviour is described with the time-dependent Schrödinger equation. We apply the finite difference method to obtain quantitative insights into the charge transfer dynamics, providing detailed...
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Morse homology for the Hamiltonian action in cotangent bundles
PublicationIn this paper we use the gradient flow equation introduced in Asselle and Starostka (Calc. Var. 59: 113, 2020) to construct a Morse complex for the Hamiltonian action AH on a mixed regularity space of loops in the cotangent bundle T ∗M of a closed manifold M. Connections between pairs of critical points are realized as genuine intersections between unstable and stable manifolds, which (despite being infinite dimensional objects)...
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New insights into structural, optical, electrical and thermoelectric behavior of Na0.5Bi0.5TiO3 single crystals
PublicationThe single crystals of lead-free Na0.5Bi0.5TiO3 were grown using the Czochralski method. The energy gaps determined from X-ray photoelectron spectroscopy (XPS) and optical measurements were approximately 2.92 eV. The current-voltage characteristics, depolarization current, dc (σdc) and ac (σac) electrical conductivity, and Seebeck coefficient of the crystals were investigated. The frequency/temperature-dependent electrical properties...
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Novel Method for Realistically Simulating the Deposition of Thin Films from the Gas Phase and its Application to Study the Growth of Thin Gold Film on Crystalline Silicon
PublicationWe present a novel approach for simulating thin film (TF) deposition from the gas phase at the atomistic scale, combining molecular dynamics (MD) and time-stamped force-bias Monte Carlo (tfMC). In this approach, MD, with its fine temporal resolution, captures fast events, such as incident atom-substrate collisions, while tfMC simulates slow relaxation processes, enhancing temporal scale coverage. The proposed approach also adequately...
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Observation of quantum oscillations, linear magnetoresistance, and crystalline electric field effect in quasi-two-dimensional PrAgBi2
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Observation of quantum oscillations, linear magnetoresistance, and crystalline electric field effect in quasi-two-dimensional PrAgBi2
PublicationWe report the magnetic and magnetotransport properties with electronic band-structure calculation of the Bi square net system PrAgBi2. The magnetization and heat capacity data confirm the presence of a crystalline electric field (CEF) effect in PrAgBi2. Analysis of the CEF effect using a multilevel energy scheme reveals that the ground state of PrAgBi2 consists of five singlets and two doublets. The de Haas-van Alphen (dHvA) quantum...
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Optimal bandgap of a single-junction photovoltaic cell for the mobile Internet-of-Things
PublicationThe procedure for determining the maximum power of a single-junction photovoltaic cell operating in various types of lighting is presented. This is a key issue for photovoltaics powering the mobile Internet-of-Things (IoTs). The simulations performed are based on the detailed balance principle, without any of simplifying assumptions included in the Shockley-Queisser model. Optimal energy bandgap for diffuse solar light was found...
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Optimizing conductivity in Na-V-Te-O glass through controlled heat treatment
PublicationSemiconducting Na2O-V2O5-TeO2 glasses with various Na2O contents were melted and subjected to controlled heating to improve conductivity. Topography analysis were performed using confocal microscopy and scanning electron microscopy on both as-quenched and heat-treated samples. X-ray diffraction confirmed the amorphous nature of the samples post-melting, with subsequent heating resulting in the formation of nanocrystallites primarily...
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Optimizing electrochemical removal of perfluorooctanoic acid in landfill leachate using ceramic carbon foam electrodes by coupling CFD simulation and reactor design
PublicationPerfluorooctanoic acid (PFOA), a persistent and bioaccumulative pollutant classified as a 'forever chemical', poses a global environmental and health risk due to its widespread use and resistance to degradation. The development of effective and efficient removal technologies is crucial to mitigate its long-term impacts. In this study, we present a novel approach to address the growing concern of emerging contaminants, particularly...
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Physicochemical properties of La0.5Ba0.5Co1-xFexO3-δ (0≤x≤1) as positrode for proton ceramic electrochemical cells
PublicationWe report on essential properties of materials in the series La0.5Ba0.5Co1-xFexO3-δ as positrodes for proton ceramic electrochemical cells (PCECs). The unit cell and thermochemical expansion coefficient (TCEC) of these cubic perovskites decrease with iron content x, the TCEC of La0.5Ba0.5FeO3-δ going as low as 11·10-6 1/K. The materials behave as LaMO3 perovskites with small band gaps and Ba acting as acceptors compensated by electron...
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Polymer-Enhanced Active Layer Crystallization in Low-Temperature Carbon-Based Perovskite Solar Cells
PublicationHigh-efficiency perovskite solar cells (PSCs) are emerging as a promising next-generation, low-cost, photovoltaic technology. A key advantage of PSCs is their compatibility with diverse manufacturing techniques, enabling the pursuit of low-cost, stable PSCs. Carbon electrodes, known for their scalability, chemical inertness, and ease of processing through screen printing, have recently seen the development of low-temperature carbon...
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Robust Laser‐Induced Graphene‐Boron‐Doped Diamond Nanowall Hybrid Nanostructures with Enhanced Field Electron Emission Performance for Microplasma Illumination Devices
PublicationThis investigation introduces a scalable fabrication method for laser-induced graphene (LIG)-boron-doped diamond nanowall (BDNW) hybrid nanostructures, designed for field electron emission (FEE) cathode materials in microplasma illumination (μPI) devices. The two-step process involves fabricating BDNWs via microwave plasma-enhanced chemical vapor deposition, followed by drop-casting BDNW dispersion onto polyimide foils to create...
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Rovibrational quenching calculations of C2− in collision with H2
PublicationThe molecular anion C2− has been of interest in the past few years as a candidate for laser cooling due to its electronic structure and favorable branching ratios to the ground electronic and vibrational states. Molecular hydrogen has been used by the Wester group at Innsbruck as a buffer gas to cool the molecule’s internal rovibrational motion. In the present work we generate a five-dimensional (5D) interaction potential for the...
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Self-testing tilted strategies for maximal loophole-free nonlocality
PublicationThe degree of experimentally attainable nonlocality, as gauged by the loophole-free or effective violation of Bell inequalities, remains severely limited due to inefficient detectors. We address an experimentally motivated question: Which quantum strategies attain the maximal loophole-free nonlocality in the presence of inefficient detectors? For any Bell inequality and any specification of detection efficiencies, the optimal strategies...
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Silver and Silver/Sodium Bisphosphonate Salts: Rare Examples of Molecular Solid Solutions and Their Biological Activity as Dual-Action Compounds
PublicationBisphosphonates (BPs) are an important treatment for osteoporosis and bone metastases due to their low toxicity, high thermostability, and the ability to inhibit bone resorption. Notably, BPs like alendronate, which contain a primary amine group, exhibit potent antiresorptive and antiangiogenic properties. Recent studies have focused on enhancing the BP properties by incorporating bioactive metals to increase their therapeutic...
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Solvent Selection as a Key Factor in the Performance of Semitransparent Heterojunctions Composed of Hydrogenated Nanotubes and Bismuth Sulfides
PublicationResearch on titanium nanotubes modified with metal sulfides, particularly bismuth sulfide (Bi2S3), aims to create heterostructures that efficiently absorb sunlight and then separate photogenerated charge carriers, thereby enhancing the energy conversion efficiency. This study shows a key role of solvent used for sulfide and bismuth salt solutions used during successive ionic layer adsorption and reaction (SILAR) onto the morphology,...
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Stimuli-responsive delivery systems using carbohydrate polymers: A review
PublicationCarbohydrate polymers, including Chitosan, Cellulose, Starch, Dextran, Pectin, Alginate, and Hyaluronic Acid, have been considered as stimuli-responsive biopolymers demonstrating significant potential for drug delivery approaches. Relying on the specific design and fabrication, such biopolymers are able to respond to fluctuations in pH, temperature, or enzymatic activity. This review investigates stimuli-responsive biopolymers,...
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Superconductivity in Ternary Mg4Pd7As6
PublicationThe synthesis and characterization of a new compound Mg4Pd7As6, which is found to be a superconductor with Tc = 5.45 K is reported. Powder X-ray diffraction confirms the U4Re7Si6 structure (space group Im-3m, no. 229) with the lattice parameter a = 8.2572(1) Å. Magnetization, specific heat, and electrical resistivity measurements indicate that it is a moderate-coupling ( = 0.72) type-II superconductor. The electronic and phonon...