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Band Gap Engineering toward Semimetallic Character of Quinone-Rich Polydopamine
PublikacjaSemiconductor|melanin interfaces have received increasingly more attention in the fields of photocatalysis and applied electrochemistry because of their facile synthesis, unique electrical properties, and strong capability toward photosensitization. In this work, we describe the electropolymerization of quinone-rich polydopamine (PDA) on the surface of hydrogenated TiO2 nanotubes with enhanced photoactivity in the visible spectrum....
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A low-band gap, nitrogen-modified titania visible-light photocatalyst
PublikacjaFotokatalizatory tlenku tytanu(IV) zmodyfikowanego azotem zostały zsyntetyzowane poprzez ogrzewanie wodorotlenku tytanu i mocznika w temperaturze 400ºC. Otrzymane fotokatalizatory charakteryzują się silną absorpcją w zakresie promieniowania widzialnego (400-500 nm) odznaczając się niskimi wartościami energii pasma wzbronionego (2,20 i 2,46 eV). Aktywność fotokatalityczną w świetle widzialnym potwierdzono przeprowadzając reakcję...
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The optical properties and band gap energy of nanocrystalline La0.4Sr0.6TiO3 thin films
PublikacjaW pracy zbadano wpływ mikrostruktury na właściwości optyczne La0.4Sr0.6TiO3 przygotowanego w postaci cienkiego filmu. Gęsty film o grubości 200nm i wielkości krystalitów 14-30nm został przygotowany na szafirze.
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Effects of Bromine Doping on the Structural Properties and Band Gap of CH3NH3Pb(I1–xBrx)3 Perovskite
PublikacjaAn experimental and theoretical study is reported to investigate the influence of bromine doping on CH3NH3Pb(I1−xBrx)3 perovskite for Br compositions ranging from x = 0 to x = 0.1, in which the material remains in the tetragonal phase. The experimental band gap is deduced from UV−vis absorption spectroscopy and displays a linear behavior as a function of bromine concentration. Density functional theory calculations are performed...
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Role of nitrogen in evolution of sp2/sp3 bonding and optical band gap in hydrogenated carbon nitride
PublikacjaDrastic changes in the bonding are found in amorphous hydrogenated carbon nitride (a-CNx:H) film as a function of nitrogen concentration (or N/C ratio). The total C-sp3 fraction and hardness shows a sharp decrease (at N/C = 0.40) whereas optical band gap and resistivity shows a gradual increase as nitrogen concentration increases from 0.07 to 0.58. Raman spectrum of a-CNx:H film is fitted with both Gaussian (integrated intensity...
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Does the low optical band gap of yellow Bi3YO6 guarantee the photocatalytical activity under visible light illumination?
PublikacjaBi3YO6, which is known as an ionic conductor, was tested here as an electrode and photoanode in contact with aqueous electrolytes. Bi3YO6 was deposited onto the Pt substrate and the such prepared electrode was polarized in various aqueous electrolytes. The optical energy band gap of the material equal to 1.89 eV was determined using the Kubelka-Munk function resulting from the UV-Vis spectrum (allowed indirect transition) and also...
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Structural modification and band gap engineering of carbon nano-onions via sulphur doping: Theoretical DFT study
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Cu-Doped Layered Double Hydroxide Constructs the Performance-Enhanced Supercapacitor Via Band Gap Reduction and Defect Triggering
PublikacjaLayered 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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Effect of band gap on power conversion efficiency of single-junction semiconductor photovoltaic cells under white light phosphor-based LED illumination
PublikacjaOn the basis of the detailed balance principle, curves of efficiency limit of single-junction photovoltaic cells at warm and cool white light phosphor-based LED bulbs with luminous efficacy exceeding 100 lm/W have been simulated. The effect of energy band gap and illuminance on the efficiencies at warm and cool light is discussed. The simulations carried out show that maximum power conversion efficiency at 1000 lx reaches 52.0%...
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D-Band High Gain Planer Slot Array Antenna using Gap Waveguide Technology
PublikacjaA D-band high gain slot array antenna with corporate-fed distribution network based on gap waveguide structures is proposed at 140GHz. To overcome the fabrication challenges at such high frequency, the gap waveguide technology is deployed in which good electrical contact between different parts of the waveguide structure is not required. The proposed sub-array has four radiating slots that are excited by a groove gap cavity and...
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A gap waveguide-based mechanically reconfigurable phase shifter for high-power Ku-band applications
PublikacjaThis paper presents a novel design of a low-loss, reconfgurable broadband phase shifter based on groove gap waveguide (GGW) technology. The proposed phase shifter consists of a folded GGW and three bends with a few pins forming the GGW and one bend attached to a movable plate. This movable plate allows for adjustments to the folded waveguide length, consequently altering the phase of electromagnetic waves. The advantage of GGW...
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Role of nitrogen in optical and electrical band gaps of hydrogenated/hydrogen free carbon nitride film
PublikacjaWe report the optical and electrical band gap energy of amorphous hydrogenated carbon nitride (a-HCNx) and carbon nitride (a-CNx) as a function of nitrogen concentration (N/C). The optical band gap of a-HCNx and a-CNx films has been determined by means of Ellipsometry and UV-VIS. Both optical and electrical band gaps increase with elevated nitrogen concentration. Experimentally obtained electrical band gap is compared with the...
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UV-Vis-DR-TiO2 heated at 400-600oC in Ar or H2
Dane BadawczeThese data contain UV-Vis/DR spectra of TiO2 heated at 400-600oC in Ar or H2. Transformation of spectra to Kubelka-Munk function was performed together with determination of band gap.
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Electrochemical Impedance Spectroscopy data of PDA-modified TiO2 nanotubes
Dane BadawczeThis dataset contains Electrochemical Impedance Spectroscopy data of the samples from TiO2 nanotubes modified with polydopamine. The studies were presented as a part of the research on "Band Gap Engineering toward Semimetallic Character of Quinone-Rich Polydopamine" (DOI: 10.1021/acs.jpcc.2c08804).
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XPS studies of PDA-modified TiO2 nanotubes
Dane BadawczeThis dataset contains the XPS results (survey and high-resolution spectra) of the samples from TiO2 nanotubes modified with polydopamine. The studies were presented as a part of the research on "Band Gap Engineering toward Semimetallic Character of Quinone-Rich Polydopamine" (DOI: 10.1021/acs.jpcc.2c08804).
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Optical measurements of LTO:Cu sol-gel derived thin films
Dane BadawczeLithium titanate doped by copper thin films were manufactured by chemical, sol-gel method. Flms were deposited on a Corning glass substrated by spin coater. To calculated optical band gap and other optcal parameters, UV-VIS spectroscopy measurements were performed. For measurements selected samples with various content of Cu.
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List of initial and final geometries of hybrid organic-inborganic perovskites
Dane BadawczeList of initial and optimized geometries of hybrid organic-inorganic perovskites. Calculations were performed on DFT level of theory. Those results were reported in the Influence of Orientational Disorder on the Optical Absorption Properties of the Hybrid Metal‐Halide Perovskite CH3NH3PbI3 publication. Geometries, HOMO, LUMO, Band gap energies are concatenated...
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Understanding the Electronic Structure and Optical Properties of Vacancy-Ordered Double Perovskite A2BX6 for Optoelectronic Applications
PublikacjaOver the past few years, metal halide perovskite solar cells have made significant advances. Currently, the single-junction perovskite solar cells reach a conversion efficiency of 25.7%. Perovskite solar cells with a wide band gap can also be used as top absorber layers in multi-junction tandem solar cells. We examined the dynamical and thermal stability, electronic structure, and optical features of In2PtX 6 (X = Cl, Br, and I)...
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Design of Compact and Wideband Groove Gap Waveguide-Based Directional Couplers
PublikacjaThis paper proposes a compact cross-shaped groove gap waveguide structure for creating wideband and compact directional couplers with different coupling levels. Groove gap waveguide technology is applied to overcome fabrication challenges of printed and hollow waveguide structures in high frequency bands. The validity of the novel concept is demonstrated through the design and evaluation of several compact broadband directional...
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Millimeter Wave Wideband and Low-Loss Compact Power Divider Based on Gap Waveguide: For Use in Wideband Antenna Array System
PublikacjaThis paper presents a wideband and low-loss design of a compact power divider based on gap waveguide technology. The proposed power divider consists of two adjacent E-plane groove gap waveguide and a small ridge section to couple and equally divide the EM energy from the input E-plane groove gap waveguide to the two output ones in-phase. The simulation results show that the proposed waveguide power divider has about 40% impedance...
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Optical measurements of lithium titanate sol-gel derived thin films
Dane BadawczeNanocrystalline thin films with 800 nm thickness were prepared by sol–gel method. To examine the influence of the annealing time on as-prepared films crystallization, the coatings were heated at 550 °C for 10, 20 and 80 h. On the basis of transmission characteristic optical properties were calculated. It was found that transmission through the thin...
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Deep learning for ultra-fast and high precision screening of energy materials
PublikacjaSemiconductor materials for energy storage are the core and foundation of modern information society and play important roles in photovoltaic system, integrated circuit, spacecraft technology, lighting applications, and other fields. Unfortunately, due to the long experiment period and high calculation cost, the high-precision band gap (the basic characteristic parameter) of semiconductor is difficult to obtain, which hinders the...
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Ellipsometric study of carbon nitride films deposited by DC-magnetron sputtering
PublikacjaWe report the optical properties of a carbon nitride (CNx) film as a function of nitrogen concentration (N/C) of the deposited film. As nitrogen concentration is increased (N/C ratio) in a CNx film, the refractive index and band gap also increase. The real and imaginary parts, n and k (refractive index and extinction coefficient) of the complex refraction index of carbon nitride films were determined by spectroscopic ellipsometry...
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Filtering EBG Structures Implemented in Coplanar Waveguide Feedline of Planar Slot Antenna
PublikacjaA novel compact dual-band slot antenna fed by a coplanar waveguide (CPW) incorporating electromagnetic band gap (EBG) structures has been proposed. At first, a classic wideband slot antenna fed by a CPW, dedicated to work in 2 ÷ 18 GHz band, has been designed. Subsequently, by adding simple EBG filtering structures into a CPW feedline, a dual-band performance ranging from 2.5 to 5.3 GHz and from 13.5 to 16.3 GHz, with the voltage...
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A Wideband Rotary-Joint-Free H-Plane Horn Antenna With 360° Steerable Radiation Pattern Using Gap Waveguide Technology
PublikacjaConsidering the limitations of electronically steerable antennas such as limited steering span, gain degradation for large steering angles, complexity, and cost, this article is focused on the design of a simple mechanically steerable H-plane horn antenna. It is shown that since there is no need for an electrical connection between the top and bottom sections of a gap waveguide (GWG), if a sectoral horn is properly designed and realized...
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Photovoltaic bulk heterojunctions with interpenetrating network based on semiconducting polymers
PublikacjaPhotovoltaic cells are supposed to be the most common generators of useful electricity in the nearest future as they utilize inexhaustible carriers of renewable energy called photons. Despite the fact that 95% of worldwide applied photovoltaic devices are based on inorganic semiconductors the area of organic photovoltaics grows successively due to possibility of considerable reduction of manufacturing costs. Since the Heeger's...
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Photocatalytic hydrogen evolution from glycerol-water mixture under visible light over zinc indium sulfide (ZnIn2S4) nanosheets grown on bismuth oxychloride (BiOCl) microplates
PublikacjaZnIn2S4 (ZIS) is one of the widely studied photocatalyst for photocatalytic hydrogen evolution applications due to its prominent visible light response and strong reduction ability. However, its photocatalytic glycerol reforming performance for hydrogen evolution has never been reported. Herein, the visible light driven BiOCl@ZnIn2S4 (BiOCl@ZIS) composite was synthesized by growth of ZIS nanosheets on a template-like hydrothermally...
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Emerging oxidized and defective phases in low-dimensional CrCl3
PublikacjaTwo-dimensional (2D) magnets such as chromium trihalides CrX3 (X ¼ I, Br, Cl) represent a frontier for spintronics applications and, in particular, CrCl3 has attracted research interest due its relative stability under ambient conditions without rapid degradation, as opposed to CrI3. Herein, mechanically exfoliated CrCl3 flakes are characterized at the atomic scale and the electronic structures of pristine, oxidized, and defective...
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Optical properties of tellurium dioxide thin films
Dane BadawczeTeO2 and TeO2 doped by Eu thin films manufactured by magnetron sputtering method were measured by optical spectroscopy. Metallic Te target and Te-Eu mosaic target with diameter of 50.8 mm were sputtered for about 45 min in argon-oxygen atmosphere what resulted in 300 nm film thickness deposition. The pressure in the chamber was below 0.2 Pa and substrate...
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Linking optical and electronic properties to photoresponse of heterojunctions based on titania nanotubes and chromium, molybdenum, and tungsten oxides
PublikacjaThe development of photosensitization strategies for titanium dioxide is necessary for the enhancement of its optical and electronic properties towards its application potential in solar photoelectrochemistry. In this work, significant differences in the photosensitizing capability of the 6th group transition metal oxides applied on the surface of titania nanotubes are reported. For the first time, correlations between the experimentally...
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A facile method for Tauc exponent and corresponding electronic transitions determination in semiconductors directly from UV–Vis spectroscopy data
PublikacjaIn 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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Photoelectrochemical properties of BIMEVOX (ME=Cu, Zn, Mn) electrodes in contact with aqueous electrolyte
PublikacjaLayered oxide Bi4O2O11 and mixed oxides of bismuth, vanadium and a third metal (ME = Cu, Zn, Mn) were synthesized and characterized using XRD, Raman and SEM. The energy band gap (Eg) of samples determined using UV–VIS reflectance spectra equals to 2.46, 2.34, 2.27 and 2.18 eV for Bi4V2O11, BICUVOX (Bi2V1 − xCuxO5.5 − 3x/2), BIZNVOX (Bi2V1 − xZnxO5.5 − 3x/2) and BIMNVOX (Bi2V1 − xMnxO5.5 − x/2) (x = 0.1), respectively. Open circuit...
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Highly Visible-Light-Photoactive Heterojunction Based on TiO2 Nanotubes Decorated by Pt Nanoparticles and Bi2S3 Quantum Dots
PublikacjaA heterojunction with excellent visible light response and stability based on titanium dioxide nanotubes (TiO2 NTs), bismuth sulfide quantum dots (Bi2S3 QDs), and platinum nanoparticles (Pt NPs) is proposed. Both Pt NPs (3.0 ± 0.2 nm) and Bi2S3 QDs (3.50 ± 0.20 nm) are well distributed on the (i) top parts, (ii) inner walls, and (iii) outer walls of the TiO2 NTs. Visible-light-induced photoreaction was initialized by excitation...
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Spectroscopic and photophysical properties of ZNTPP in a room temperature ionic liquid
PublikacjaThe steady-state absorption and emission spectra and the time-resolved Soret- and Q-band excited fluorescence profiles of the model metalloporphyrin, ZnTPP, have been measured in a highly purified sample of the common room temperature ionic liquid, [bmim][PF(6)]. S(2)-S(0) emission resulting from Soret-band excitation behaves in a manner completely consistent with that of molecular solvents of the same polarizability. The ionic...
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Integrated Experimental and Theoretical Approach for Efficient Design and Synthesis of Gold-Based Double Halide Perovskites
PublikacjaApplied cutting-edge electronic structure and phonon simulations provide a reliable knowledge about the stability of perovskite structures and their electronic properties, which are crucial for design of effective nanomaterials. Gold is one of the exceptional elements, which can exist both as a monovalent and a trivalent ion in the B site of a double perovskite such as A2BI BIIIX6. However, until now, electronic properties of Cs2AuI AuIIIX6...
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Thickness and structure change of titanium (IV) oxide thin films synthesized by the sol–gel spin coating method
PublikacjaTitanium dioxide is a well-known material in nanotechnology, while it provides new opportunities due to its interesting properties, for example, as a semiconductor with a quite significant forbidden band gap energy of 3.2 eV. In this study, thin films of titanium dioxide (TiO2) were synthesized in amorphous and crystallographic systems using the sol–gel process. Atomic Force Microscopy (AFM), Raman spectroscopy and X-ray diffraction...
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Performance Comparison of a 650 V GaN SSFET and CoolMOS
PublikacjaThe new technology of wide band gap semiconductors is said to outperform up-to-date silicon devices. High voltage Gallium Nitride (GaN) transistors, now emerging in the market, have even three times shorter switching times and even four times smaller energy losses compared to the best in-class Si devices. In this paper the performance of a 650 V GaN SSFET is evaluated and compared with the newest silicon family of CoolMOS™ technology....
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Designing efficient A-D-A1-D-A type fullerene free acceptor molecules with enhanced power conversion efficiency for solar cell applications
PublikacjaThe achievement of highly efficient power conversion efficiency (PCE) is a big concern for non-fullerene organic solar cells (NF-OSCs) because PCE can depend on numerous variables. Here, new five novel acceptor molecules without fullerenes were developed and investigated using DFT (density functional theory) and TD-DFT (time dependent-density functional theory). Compared to the recently synthesized molecule (PZ-dIDTC6), the developed...
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Synthesis and Properties of the Ba2PrWO6 Double Perovskite
PublikacjaWe report details on the synthesis and properties of barium praseodymium tungstate, Ba2PrWO6, a double perovskite that has not been synthesized before. Room-temperature (RT) powder X-ray diffraction identified the most probable space group (SG) as monoclinic I2/m, but it was only slightly distorted from the cubic structure. X-ray photoelectron spectroscopy confirmed that the initial (postsynthesis) material contained praseodymium...
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Photophysics of Soret-Excited Tin(IV) Porphyrins in Solution
PublikacjaThe photophysics of low-chlorin tin(IV) tetraphenylporphyrin dihydroxide, a core building block for axially substituted supramolecular tin porphyrin constructs, has been studied in a variety of hydrogen-bonding, nonpolar, and aprotic polar solvents using steady-state, nanosecond, and femtosecond time-resolved emission, and femtosecond time-resolved absorption methods. In hydrogen-bonding solvents the metalloporphyrin exists as...
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Structural and optical investigations of sol-gel derived lithium titanate thin films
Publikacjain this paper structural and optical studies of lithium titanate (lto) thin films are presented. nanocrystalline thin films with 800 nm thickness were prepared by sol-gel method. to examine the influence of the annealing time on as-prepared films crystallization, the coatings were heated at 550 °c for 10, 20 and 80 h. structure of manufactured thin films was investigated using x-ray diffraction (xrd). the most visible lithium titanate...
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The bismuth vanadate thin layers modified by cobalt hexacyanocobaltate as visible-light active photoanodes for photoelectrochemical water oxidation
PublikacjaBismuth vanadate thin films deposited using the pulsed laser deposition technique were modified using cobalt hexacyanocobaltate (Cohcc). The 2-step method of Cohcc nanocubes preparation was applied: i) metallic cobalt deposition and ii) cobalt electrooxidation in Co(CN)63− containing electrolyte. The presence of CN stretching vibrations was confirmed by Raman spectroscopy. The energy band gap was equal to 2.5 eV and was estimated...
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The influence of photointercalaction and photochromism effects on the photocatalytic properties of electrochemically obtained maze-like MoO3 microstructures
PublikacjaMolybdenum oxide (α-MoO3) thin films with oriented crystalline facets were synthesised by anodization of Mo foils. The obtained samples were exposed to UV–Vis illumination in aqueous electrolytes providing different cations. The morphology and structure of modified samples were investigated. The effect of photointercalated alkali metal cations (Li+, Na+, K+) on optical and structural properties was studied using UV–vis and Raman...
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Shape-controllable synthesis of GdVO4 photocatalysts and their tunable properties in photocatalytic hydrogen generation
PublikacjaNovel visible light responsive materials for water splitting are essential for the efficient conversion of solar energy into hydrogen bond energy. Among other semiconductors, gadolinium orthovanadate has appropriate conduction and valence band edges positioned to split water molecules and a narrow band gap that allows the use of visible light for hydrogen generation. Thus, we present here that hydrogen evolution under visible light...
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Scalable Route toward Superior Photoresponse of UV-Laser-Treated TiO2 Nanotubes
PublikacjaTitanium 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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Tuning the photocatalytic performance through magnetization in Co-Zn ferrite nanoparticles
PublikacjaIn this work, the link between the photocatalytic performance of Co-Zn ferrite nanoparticles and the net magnetic moment is analyzed. CoxZn1-xFe2O4 nanoparticles (0 ≤ x ≤ 1) were synthesized by co-precipitation method and different physicochemical techniques were employed to characterize the samples (X-ray diffraction, Transmission Electron Microscopy (TEM), BET surface area, Diffuse Reflectance Spectroscopy (DRS), Photoluminescence spectroscopy,...
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The Effect of Calcination Temperature on Structure and Photocatalytic Properties of WO3/TiO2 Nanocomposites
PublikacjaSeries ofWO3/TiO2 nanocompositeswere obtained by hydrothermal method followed by calcination in the temperature range from 400∘C to 900∘C. The characteristics of photocatalysts by X-ray diffractometry (XRD), scanning electron microscope (SEM), and diffuse reflectance spectroscopy (DRS) showed that increasing the calcination temperature from 400 to 900∘C resulted in change of photocatalytic activity under UV-Vis light.Moreover,...
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Morphology, surface properties and photocatalytic activity of the bismuth oxyhalides semiconductors prepared by ionic liquid assisted solvothermal method
PublikacjaThis is the first report of the effect of the ILs cation type (imidazolium, pyridinium and pyrrolidinium) on the morphology, surface properties and photoactivity of BiOX semiconductors type obtained by solvothermal method in glycerol. The various ionic liquids (IL) cation type as a halogen source and templating agent for the synthesis of the bismuth oxyhalides nanoparticles has been systematically investigated. The role of ILs...
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Physical properties and electronic structure of La3Co and La3Ni intermetallic superconductors
PublikacjaLa3Co and La3Ni are reported superconductors with transition temperatures of 4.5 and 6 K, respectively. Here, we reinvestigate the physical properties of these two intermetallic compounds with magnetic susceptibility χ, specific heat Cp and electrical resistivity ρ measurements down to 1.9 K. Although bulk superconductivity is confirmed in La3Co, as observed previously, only a trace of it is found in La3Ni, indicating that the...
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Effect of nitrogen doping on TiOxNy thin film formation at reactive high-power pulsed magnetron sputtering
PublikacjaThe paper is focused on a study of formation of TiOxNy thin films prepared by pulsed magnetron sputtering of metallic Ti target. Oxygen and nitrogen were delivered into the discharge in the form of reactive gases O2 and N2. The films were deposited by high-power impulse magnetron sputtering working with discharge repetition frequency f = 250 Hz at low (p = 0.75 Pa) and high (p = 10 Pa) pressure. The substrates were on floating...