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Superconductivity–Electron Count Relationship in Heusler Phases─the Case of LiPd2Si
PublicationWe 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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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...
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Synthesis and properties of HoT2Al20 (T = Ti, V, Cr) intermetallic cage compounds
PublicationPolycrystalline samples of HoT2Al20 (T = Ti, V, Cr) intermetallics were synthesized using a step-wise arc-melting technique. All three compounds adopt the CeCr2Al20-type crystal structure with Ho atoms positioned inside oversized icosahedral cages formed by Al atoms. The structure of HoV2Al20 compound is reported. The materials properties were studied by means of electrical resistivity, magnetic susceptibility, and specific heat...
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Numerical modeling of exciton impact in two crystalographic phases of the organo-lead halide perovskite (CH3NH3PbI3) solar cell
PublicationTo improve the power conversion efficiency of solar cells based on organo–lead halide perovskites, a detailed understanding of the device physics is fundamental. Here, a computational analysis of excitons impact is reported for these types of photocell. Numerical calculations based on the model, which take into account electronic charge carriers (electrons and holes), excitons and ions, have been carried out. The role of excitons...
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Design of control algorithms for mobile robots in an environment with static and dynamic obstacles
PublicationThis article proposes the construction of autonomous mobile robots and designing of obstacle avoidance algorithms for them. Nowadays, mobile robots are gaining more and more popularity on the customer as well as industrial market, for example as automatic vacuum cleaners or lawnmowers. Obstacle avoidance algorithms play an important role in performance of this types of robots. The proposed algorithms were designed for builds with...
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Fermi-liquid behavior of binary intermetallic compounds Y3 M (M = Co, Ni, Rh, Pd, Ir, Pt)
PublicationA series of polycrystalline samples of Y3 M (M = Co, Ni, Rh, Pd, Ir, Pt), intermetallic binary compounds were synthesized by the arc-melting method. Powder x-ray diffraction (pXRD) confirmed the orthorhombic cementite-type crystal structure and allowed for the estimation of the lattice parameters. Physical properties were investigated by means of electrical resistivity and heat capacity measurements between 1.9 K and 300 K. All...
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Structural properties of hypothetical CeBa2Cu3O7 compound from LSDA+DMFT calculations
PublicationThe hypothetical stoichiometric CeBa2Cu3O7 (Ce123) compound, which has not been synthesized as a single phase yet, was studied by the density functional theory (DFT). We utilized a method which merges the local spin density approximation (LSDA) with the dynamical mean-field theory (DMFT) to account for the electronic correlations. The LSDA+DMFT calculations were performed in the high-temperature range. The particular emphasis was...
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Superconductivity of Ta-Hf and Ta-Zr alloys: Potential alloys for use in superconducting devices
PublicationThe electronic properties relevant to superconductivity are reported for bulk Ta-Hf and Ta-Zr body centered cubic alloys, in a large part to determine whether their properties are suitable for potential use in superconducting qbits. The body centered cubic unit cell sizes increase with increasing alloying. The results of magnetic susceptibility, electrical resistivity, and heat capacity characterization are reported. While elemental...
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Strong-coupling superconductivity of SrIr2 and SrRh2 : Phonon engineering of metallic Ir and Rh
PublicationExperimental and theoretical studies on superconductivity in SrIr2 and SrRh2 Laves phases are presented. The measured resistivity, heat capacity, and magnetic susceptibility confirm the superconductivity of these compounds with Tc = 6.07 and 5.41 K, respectively. Electronic structure calculations show that the Fermi surface is mostly contributed by 5d (4d) electrons of Ir (Rh), with Sr atoms playing the role of electron donors....
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S-Shaped Suppression of the Superconducting Transition Temperature in Cu-Intercalated NbSe2
Publication2H-NbSe2 is the prototype and most frequently studied of the well-known transition metal dichalcogenide (TMDC) superconductors. As 2H-NbSe2 is widely acknowledged as a conventional superconductor, its transition temperature to the superconducting state (Tc) is 7.3 K, a Tc that is substantially higher than those seen for the majority of TMDCs, where Tc values between 2 and 4 K are the norm. Here we report the intercalation of Cu...
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Multiple Reprocessing of Conductive PLA 3D-Printing Filament: Rheology, Morphology, Thermal and Electrochemical Properties Assessment
PublicationAdditive manufacturing technologies are gaining more and more attention, resulting in the development or modification of 3D printing techniques and dedicated materials. On the other hand, economic and ecological aspects force the industry to develop material recycling strategies. In this work, the multiple reprocessing of a commercially available PLA conductive composite with carbon black filler, dedicated to 3D printing, was investigated....
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Study of ZrS3-based field-effect transistors toward the understanding of the mechanisms of light-enhanced gas sensing by transition metal trichalcogenides
PublicationExtending knowledge of the properties of low-dimensional van der Waals materials, including their reactivity to the ambiance, is important for developing innovative electronic and optoelectronic devices. Transition metal trichalcogenides with tunable optical band gaps and anisotropic conductivity are an emerging class among low- dimensional structures with the possibility of gate tunability and photoreactivity. These properties...
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Magnetization reversal process in flat and patterned exchange-biased CoO/[Co/Pd] thin films
PublicationNanostructured magnetic materials have gained great interest due to their possible technological applications in electronic and spintronic devices or in medicine as drug carriers. The key issue which decides on their potential industrial utilization is an exhibited type of a magnetization reversal process. Two main approaches used to describe the switching mechanism are the domain wall motion and coherent magnetization rotation,...
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Revisiting properties of CaCoSinO2n+2. Crystal and electronic structure
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Rattling-enhanced superconductivity in MV2Al20 (M = Sc, Lu, Y) intermetallic cage compounds
PublicationPolycrystalline samples of four intermetallic compounds: MV2Al20 (M=Sc, Y, La, and Lu) were synthesized using an arc-melting technique. The crystal structures were analyzed by means of powder x-ray diffraction and Rietveld analysis, and the physical properties were studied by means of heat capacity, electrical resistivity, and magnetic susceptibility measurements down to 0.4 K. For ScV2Al20, LuV2Al20, and YV2Al20, superconductivity...
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Determination of polybrominated diphenyl ethers in house dust using standard addition method and gas chromatography with electron capture and mass spectrometric detection
PublicationMonitoring of the environmental fate of polybrominated diphenyl ethers (PBDEs) involves determination of their concentration in air, airborne particles and settled dust. This requires the implementation of appropriate analytical tools like measuring instruments, reference materials and analytical procedures. In this study an analytical procedure was developed for determining PBDEs in samples with a complex matrix composition. The...
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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...
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A Review of Recent Advances in Human-Motion Energy Harvesting Nanogenerators, Self-Powering Smart Sensors and Self-Charging Electronics
PublicationIn recent years, portable and wearable personal electronic devices have rapidly developed with increasing mass production and rising energy consumption, creating an energy crisis. Using batteries and supercapacitors with limited lifespans and environmental hazards drives the need to find new, environmentally friendly, and renewable sources. One idea is to harness the energy of human motion and convert it into electrical energy...
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Emerging strategies for enhancing detection of explosives by artificial olfaction
PublicationExplosives detection systems need to be able to reliably detect a wide range of explosive materials and their vapours. The continued development and improvement of artificial olfaction techniques, including electronic nose (EN), remains important to overcome existing challenges and meet requirements posed by new improvements in the field of explosives. There is an increasingly popular trend aimed at improvement of fundamental metrological...
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Cu-Doped Layered Double Hydroxide Constructs the Performance-Enhanced Supercapacitor Via Band Gap Reduction and Defect Triggering
PublicationLayered double hydroxides (LDHs) are regarded as the excellent electrode materials for supercapacitors because of their high theoretical capacitance and abundance. However, the poor conductivity and limited reaction kinetics of LDHs restrict their practical application severely. Herein, Cu is chosen from groups VIII/IB/IIB as dopants for Co-based LDH (CuCo-LDH). The designed metal–organic framework-derived hierarchical CuCo-LDH...
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Mixed electronic-ionic conductivity in vanadate oxide glasses containing alkaline ions
PublicationZbadano mieszane przewodnictwo polaronowo-jonowe w szkłach wanadanowych zawierających jony metali alkalicznych.
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Tuning the work function of graphite nanoparticles via edge termination
PublicationGraphite 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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Fe3–xInSnxO6 (x = 0, 0.25, or 0.5): A Family of Corundum Derivatives with Sn-Induced Polarization and Above Room Temperature Antiferromagnetic Ordering
PublicationThree new double corundum derivative compounds, Fe3−xInSnxO6 (x = 0. 0.25, or 0.5), were synthesized at high pressure and temperature (6 GPa and 1400− 1450 °C). All of the compounds order antiferromagnetically well above room temperature (TN = 608, 532, and 432 K for x = 0, 0.25, and 0.5, respectively). The x = 0 phase crystallizes as centrosymmetric R3̅c, but the inclusion of closed-shell d10 Sn4+ induces x = 0.25 and 0.5 to crystallize...
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Growth and Isolation of Large Area Boron‐Doped Nanocrystalline Diamond Sheets: A Route toward Diamond‐on‐Graphene Heterojunction
PublicationMany material device applications would benefit from thin diamond coatings, but current growth techniques, such as chemical vapor deposition (CVD) or atomic layer deposition require high substrate and gas‐phase temperatures that would destroy the device being coated. The development of freestanding, thin boron‐doped diamond nanosheets grown on tantalum foil substrates via microwave plasma‐assisted CVD is reported. These diamond...
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Influence of the fragment size on the recycling process of thin-film modules based on CdTe
PublicationFor several years, the production of second generation cells (the so-called thin film), produced from amorphous silicon, cadmium telluride (CdTe) or copper indium (gallium) diselenide (CI(G)S), has been increasing. The total number of end-of-life panels by 2050 is expected to reach 9.57 million tonnes. They contain heavy metals that can be leached into the environment at the land field. The EU directive on waste electrical and...
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Bioelectronic tongue: Current status and perspectives
PublicationIn the course of evolution, nature has endowed humans with systems for the recognition of a wide range of tastes with a sensitivity and selectivity which are indispensable for the evaluation of edibility and flavour attributes. Inspiration by a biological sense of taste has become a basis for the design of instruments, operation principles and parameters enabling to mimic the unique properties of their biological precursors. In...
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Impact of dyes isomerization effect on the charge transfer phenomenon occurring on the dye/nanosemiconductor interface
PublicationThe present work aimed to find the answer how does the isomerization of the Ru based dyes affect the overall photon-to-current efficiency of the DSSCs and to explain the charge transfer phenomenon occurring on the dye/ nanosemiconductor interface. Therefore, electronic and optical properties of three bipyridine derivatives anchored on the TiO2 electrode were investigated by computational simulations based on quantum chemistry codes...
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Low cost electrochemical sensor module for measurement of gas concentration
PublicationThis paper describes a low cost electrochemical sensor module for gas concentration measurement. A module is universal and can be used for many types of electrochemical gas sensors. Device is based on AVR ATmega8 microcontroller. As signal processing circuit a specialized integrated circuit LMP9l000 is used. The proposed equipment will be used as a component of electronic nose system employed for classifying and distinguishing...
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Sano-Tachiya-Noolandi-Hong, Onsager and Braun models vs Monte Carlo simulation of charge photogeneration in organic solids
PublicationThe Sano-Tachiya-Noolandi-Hong (STNH), Onsager, and Braun models as well as Monte Carlo (MC) simulations of charge recombination/separation have been applied for the first time to reproduce the results of the electromodulated photoluminescence measurements in vacuum-evaporated films of fluorescent materials commonly used in optoelectronic devices. The values of the electron-hole pair final recombination speed in the monomer emitters:...
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Recycling of Photovoltaic Solar Cells and Modules - Te State - Of - Art
PublicationIn comparison to other energy producing techniques, photovoltaics (PV) is one of the most promising options: no emission of any matter into the environment during operation; extremely long operation period (estimated average: 25 years), minimum maintenance, robust technique, aesthetic aspects. The use of photovoltaics is rapidly increasing, and the respective market is developing accordingly. Although PV manufacturing equipment...
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CURRENT TRENDS IN RECYCLING OF PHOTOVOLTAIC SOLAR CELLS AND MODULES WASTE
PublicationIn comparison to other energy producing techniques, photovoltaics (PV) is one of the most promising options: no emission of any matter into the environment during operation; extremely long operation period (estimated average: 25 years), minimum maintenance, robust technique, aesthetic aspects. The use of photovoltaics is rapidly increasing, and the respective market is developing accordingly. Although PV manufacturing equipment...
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Shape-Memory Polyurethane Polymers
PublicationPolyurethanes (PUs) are one of the most widely used polymers in research and industry. They can be synthesized from chemical sources and natural sources. PUs are a very useful class of polymers and exhibit many desirable properties that can be exploited in various applications. PUs are formed by the reaction between polyols and isocyanates. A wide variety of polyols and isocyanates are available for synthesis, and hence we can...
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Contemporary and Conventional Passive Methods of Intensifying Convective Heat Transfer—A Review
PublicationThe ever-increasing demand for effective heat dissipation and temperature control in industrial and everyday applications highlights a critical research problem. The need for development is not only in terms of providing thermal comfort to humans but also forms the basis for the efficient operation of machines and equipment. Cooling of industrial machinery and household electronic equipment is a crucial element in any manufacturing...
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Annealing Rate as a Crucial Parameter Controlling the Photoelectrochemical Properties of AuCu Mosaic Core–Shell Nanoparticles
PublicationThermal 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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Boron doped Nanocrystalline Diamond-Carbon Nanospike Hybrid Electron Emission Source
PublicationElectron emission signifies an important mechanism facilitating the enlargement of devices that have modernized large parts of science and technology. Today, the search for innovative electron emission devices for imaging, sensing, electronics, and high-energy physics continues. Integrating two materials with dissimilar electronic properties into a hybrid material is an extremely sought-after synergistic approach envisioning a...
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Ferro- and antiferro-magnetism in (Np, Pu)BC
PublicationTwo new transuranium metal boron carbides, NpBC and PuBC, have been synthesized. Rietveld refinements of powder XRD patterns of {Np,Pu} BC confirmed in both cases isotypism with the structure type of UBC. Temperature dependent magnetic susceptibility data reveal antiferromagnetic ordering for PuBC below T-N = 44 K, whereas ferromagnetic ordering was found for NpBC below T-C = 61 K. Heat capacity measurements prove the bulk character...
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Bacterial nanocellulose as a microbiological derived nanomaterial
PublicationBacterial nanocellulose (BNC) is a nanofibrilar polymer produced by strains such as Gluconacetobacter xylinus, one of the best bacterial species which given the highest efficiency in cellulose production. Bacterial cellulose is a biomaterial having unique properties such as: chemical purity, good mechanical strength, high flexibility, high absorbency, possibility of forming any shape and size and many others. Such a large number...
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Structural, physicochemical and anticancer study of Zn complexes with pyridyl-based thiazolyl-hydrazones
PublicationThiazolyl-hydrazones (THs) exhibit a wide spectrum of biological activity that can be enhanced by complexation with various metal ions. Zn(II) complexes with α-pyridine-1,3-TH ligands may represent an alternative to the standard platinum-based chemotherapeutics. In addition, they show photoluminescence properties and thus can be regarded as multifunctional materials. In this study, we synthesized and characterized three neutral...
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A facile method for Tauc exponent and corresponding electronic transitions determination in semiconductors directly from UV–Vis spectroscopy data
PublicationIn this work, a facile method allowing for estimation of the exponent in the Tauc equation directly from the UV–vis spectra is presented. It is based on the Taylor expansion of the logarithmic version of the Tauc equation. The Tauc exponent is calculated from the tangent slope of the absorption data. Knowledge of this coefficient provides information about the optical transition types and is used as an input for the calculations...
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Crystal structure, chemical bonding, and physical properties of layered AIrSn2 (A = Sr and Ba)
PublicationWe report the experimental and theoretical investigation of structure, chemical bonding interactions, and physical properties of new ternary stannides AIrSn2 (A = Sr and Ba). AIrSn2 (A = Sr and Ba) crystallizes in the orthorhombic Re3B-type structure with the space group Cmcm (No. 64). According to single-crystal X-ray diffraction results, the structure of AIrSn2 (A = Sr and Ba) can be considered as a Zintl-type compound with heterogeneous...
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Spin-Resolved Band Structure of Hoffman Clathrate [Fe(pz)2Pt(CN)4] as an Essential Tool to Predict Optical Spectra of Metal–Organic Frameworks
PublicationParamount spin-crossover properties of the 3D-Hoffman metalorganic framework (MOF) [Fe(pz)2Pt(CN)4] are generally described on the basis of the ligand field theory, which provides adequate insight into theoretical and simulation analysis of spintronic complexes. However, the ligand field approximation does not take into account the 3D periodicity of the actual complex lattice and surface effects and therefore cannot predict a full-scale...
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Noncentrosymmetric Triangular Magnet CaMnTeO6: Strong Quantum Fluctuations and Role of s0 versus s2 Electronic States in Competing Exchange Interactions
PublicationNoncentrosymmetric triangular magnets offer a unique platform for realizing strong quantum fluctuations. However, designing these quantum materials remains an open challenge attributable to a knowledge gap in the tunability of competing exchange interactions at the atomic level. Here, a new noncentrosymmetric triangular S = 3/2 magnet CaMnTeO6 is created based on careful chemical and physical considerations. The model material...
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Functionalized nanodiamonds as a perspective green carbo-catalyst for removal of emerging organic pollutants
PublicationRapid industrial and urban development jointly with rising global population strongly affect the large-scale issues with drinking, groundwater, and surface water pollution. Concerns are not limited to environmental issues but also human health impact becoming serious global aspect. Organic pollution becomes a primarily serious hazard, therefore, the novel sophisticated approaches to treat them are thoroughly investigated. Among...
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Recent Advances in Loop Heat Pipes with Flat Evaporator
PublicationThe focus of this review is to present the current advances in Loop Heat Pipes (LHP) with flat evaporators, which address the current challenges to the wide implementation of the technology. A recent advance in LHP is the design of flat-shaped evaporators, which is better suited to the geometry of discretely mounted electronics components (microprocessors) and therefore negate the need for an additional transfer surface (saddle)...
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House dust as a source of analytical information on concentration of polybrominated diphenyl ethers (PBDEs) - first approach
PublicationPolybrominated diphenyl ethers (PBDEs), which are best recognized as flame retardants, were in 2001, by virtue of Stockholm Convention, listed in a group of Persistent Organic Compounds (POPs). Increasing concentration levels of PBDEs, reported in human tissues (e.g., blood, serum, breast milk, etc.) haverecently caught worldwide concern due to their potential tendency to disrupt thyroid hormones, neurobehavioral deficits and endocrine...
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Scalable Route toward Superior Photoresponse of UV-Laser-Treated TiO2 Nanotubes
PublicationTitanium dioxide nanotubes gain considerable attention as a photoactive material due to chemical stability, photocorrosion resistance, or lowcost manufacturing method. This work presents scalable pulsed laser modification of TiO2 nanotubes resulting in enhanced photoactivity in a system equipped with a motorized table, which allows for modifications of both precisely selected and any-large sample area. Images obtained from scanning...
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Coplanar Waveguide-Fed Broadband Microwave Devices with (or without) a Thin Dielectric Substrate for Use in Flexible Electronic Systems
PublicationTwo examples of microwave devices, fed by a coplanar waveguide and realized on a thin substrate (or without such a substrate), are employed to investigate the influence of devices’ curvatures and the proximity of different materials on their parameters. To perform the tests, a broadband antenna and a low-pass filter are chosen. A feeding coplanar waveguide is realized on a dielectric material brick attached to an SMA connector...
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Physical properties of polyazomethine thin films doped with iodine
PublicationPurpose: The aim of this paper is to show influence of doping 1,4-phenylene-methylenenitrilo-1,4-phenylenenitrilomethylene (PPI) with iodine and to propose doping mechanism and its impact on electronicstructure of doped PPI thin films.Design/methodology/approach: Influence of iodine doping on electronic structure of polyazomethine thinfilms was investigated. Optical absorption spectra, XRD spectra and AFM images of doped PPI...
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Surface Roughness Evaluation in Thin EN AW-6086-T6 Alloy Plates after Face Milling Process with Different Strategies
PublicationLightweight alloys made from aluminium are used to manufacture cars, trains and planes. The main parts most often manufactured from thin sheets requiring the use of milling in the manufacturing process are front panels for control systems, housing parts for electrical and electronic components. As a result of the final phase of the manufacturing process, cold rolling, residual stresses remain in the surface layers, which can influence...
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Influence of technological conditions on optical properties and morphology of spin-coated PPI thin films
PublicationPurpose: The aim of this paper is to show technical and chemical parameters influence on opticalproperties and morphology of poly (1,4-phenylenemethylenenitrilo- 1,4-phenylenenitrilomethylene) (PPI)thin films prepared by spin-coating methodDesign/methodology/approach: PPI thin films were prepared by spin-coating method with variousspinning rates and molar concentrations. The monomers, terephthal aledehyde (TPA) and p-phenylenediamine(PPDA),...