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Search results for: TAUC EXPONENT TAUC PLOT TRANSITION TYPE PHOTORESPONSE TIO2 NANOTUBES CHROMIUM OXIDE MOLYBDENUM OXIDE TUNGSTEN OXIDE DFT NEGF
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Microstructure and Mechanical Properties of Carboxylated Nitrile Butadiene Rubber/Epoxy/XNBR-grafted Halloysite Nanotubes Nanocomposites
PublicationThe effect of various amounts of carboxylated nitrile butadiene rubber (XNBR) functionalized halloysite nanotubes (XHNTs) on the cure characteristics, mechanical and swelling behavior of XNBR/epoxy compounds was experimentally and theoretically investigated. The morphology of the prepared XNBR/epoxy/XHNTs nanocomposites was imaged using scanning electron microscopy (SEM). The effects of various XNBR-grafted nanotubes on the damping...
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The kinetics of phenol decomposition under UV irradiation with and without H2O2 on TiO2, Fe–TiO2 and Fe–C–TiO2 photocatalysts
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MgPd2Sb : A Mg-based Heusler-type superconductor
PublicationWe report the synthesis and physical properties of a full Heusler compound, MgPd2Sb, which we found toshow superconductivity belowTc=2.2K. MgPd2Sb was obtained by a two-step solid-state reaction methodand its purity and cubic crystal structure [Fm-3m,a=6.4523(1) Å] were confirmed by powder x-ray diffrac-tion. Normal and superconducting states were studied by electrical resistivity, magnetic susceptibility, andheat...
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Influence of CeO2 and TiO2 Particles on Physicochemical Properties of Composite Nickel Coatings Electrodeposited at Ambient Temperature
PublicationThe Ni-TiO2 and Ni-CeO2 composite coatings with varying hydrophilic/hydrophobic characteristics were fabricated by the electrodeposition method from a tartrate electrolyte at ambient temperature. To meet the requirements of tight regulation by the European Chemicals Agency classifying H3BO3 as a substance of very high concern, Rochelle salt was utilized as a buffer solution instead. The novelty of this study was to implement a...
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Visible light photocatalysis employing TiO2/SrTiO3-BiOI composites: Surface properties and photoexcitation mechanism
PublicationA series of binary TiO2/SrTiO3 and ternary TiO2/SrTiO3_BiOI composites have been synthesized using multistep preparation method. Characterization of the obtained photocatalysts covered complex analysis including morphology + y (SEM), BET specific surface area, porosity, optical properties (DRS), chemical composition of surface (XPS), crystal structure and crystal size (XRD). UV–vis and Vis ligh induced photocatalytic activity was...
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High temperature monoclinic-to-tetragonal phase transition in magnesium doped lanthanum ortho-niobate
PublicationMagnesium doped lanthanum ortho-niobate (La0.98Mg0.02NbO4) was prepared by the molten salt synthesis method. X-ray diffraction and dilatometry methods were used to study high temperature behavior of the ceramic material. Special attention was paid to the phase transition between the monoclinic and tetragonal phases. The values of spontaneous strain on the basis of unit cell parameter, obtained by Rietveld refinement, have been...
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Dynamics of Antimicrobial Peptide Encapsulation in Carbon Nanotubes: The Role of Hydroxylation
PublicationIntroduction: Carbon nanotubes (CNTs) have been widely employed as biomolecule carriers, but there is a need for further functionalization to broaden their therapeutic application in aqueous environments. A few reports have unraveled biomolecule–CNT interactions as a measure of response of the nanocarrier to drug-encapsulation dynamics. Methods: Herein, the dynamics of encapsulation of the antimicrobial peptide HA-FD-13 (accession...
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Non-metaldoped TiO2 nanotube arrays for high efficiency photocatalytic decomposition of organic species in water
PublicationTitanium dioxide is a well-known photoactive semiconductor with a variety of possible applications. The procedure of pollutant degradation is mainly performed using TiO2 powder suspension. It can also be exploited an immobilized catalyst on a solid support. Morphology and chemical doping have a great influence on TiO2 activity under illumination. Here we compare photoactivity of titania nanotube arrays doped with non-metal atoms:...
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Analizator do spektroskopii wysokoimpedancyjnej wykorzystujący DFT w detekcji fazoczułej
PublicationW pracy przedstawiono metodę pomiaru impedancji opartą na próbkowaniu sygnałów oraz wyznaczaniu ich parametrów z zastosowaniem algorytmów cyfrowego przetwarzania sygnałów. Zastosowano dyskretną transformację Fouriera do wyznaczania składowych ortogonalnych sygnałów pomiarowych. Przeprowadzono analizę dokładności pomiaru impedancji uwzględniającą rozdzielczośc przetworników a/c, amplitudę sygnału pomiarowego, liczbę zebranych próbek...
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Coupled cluster and DFT calculations of 14N nuclear quadrupole coupling constants
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Effects of acceptor doping on a metalorganic switch: DFT vs. model analysis
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Visible light activity and photoelectrochemical properties of nitrogen-doped TiO2.
PublicationFotokatalizatory TiO2 domieszkowane azotem zostały zsyntetyzowane z propanolanu tytanu (IV) lub chlorku tytanu (IV) i tiomocznika. Żółte proszki otrzymane po ogrzewaniu w temperaturach 400-600 st.C fotokatalizowały mineralizację 4-chlorofenolu w zakresie światła widzialnego (delta większe lub równe 455nm. W odróżnieniu od uprzednio opublikowanych wyników, zsyntetyzowane fotokatalizatory nie zawierały siarki, lecz zamiast tego azot...
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The effect of calcination temperature on structure and photocatalytic properties of Au/Pd nanoparticles supported on TiO2
PublicationBimetallic nanoparticles, composed of two different metal elements, can exhibit peculiar electronic, optical, and catalytic or photocatalytic properties that are absent in the corresponding monometallic nanoparticles. We show the effect of calcination temperature (from 350 to 700°C) on the structure and the photocatalytic properties of Au/Pd-modified TiO2. The composition of the bimetallic Au/Pd nanoparticles in relation to their...
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Screen-printed Sn-doped TiO2 nanoparticles for photocatalytic dye removal from wastewater: A technological perspective
PublicationTiO2 is widely used as a photocatalyst with a wide band gap, which limited its application. Ion doping and formulating a high-quality screen-printing paste enhance its features. However, the printability of objects for advanced application seems essential nowadays. In this research, the Sn-doped TiO2 nanoparticles were prepared through a sol-gel method followed by calcination at various temperatures of 450 °C, 550 °C, 650 °C, 750...
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Influence of the shoe type on the ground reaction forces
PublicationThe aim of this work was to estimate a relationship between the type of the footwear and ground reactions. Differences in medio-lateral, anterior-posterior and vertical reactions are compared for different shoe-types for male and female volunteers. Each of the participants gait was recorded in case of different shoes and without them, also stabilograms were analyzed. Results revealed differences in ground reaction forces for different...
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A constitutive law for concrete with smooth transition from continuous into discontinuous cracks’ description
PublicationPaper presents a constitutive model for concrete that combines a continuous and discontinuous crack’s description to simulate the concrete under tensile dominated loads. In a continuum regime, two different constitutive laws were used. First, a plasticity model with the Rankine failure criterion and an associated flow rule was used. Second, a constitutive law based on isotropic damage mechanics was formulated. Both model alternatives...
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Synergistic effect of TiO2 photocatalytic advanced oxidation processes in the treatment of refinery effluents
PublicationDifferent types of photolytic and photocatalytic advanced oxidation processes (AOPs) were used for treatment of refinery effluents from bitumen production. The treatment efficiency was evaluated by analyzing chemical oxygen demand (COD), biological oxygen demand (BOD5), volatile organic compounds (VOCs) and sulfide ions concentration. The studies revealed a synergistic effect of application of external oxidants (O3, H2O2, O3/H2O2)...
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Innovative Urban Blue Space Design in a Changing Climate: Transition Models in the Baltic Sea Region
PublicationWaterfront areas in cities are subject to constant changes. The desire to integrate the transformed waterside areas with the urban fabric involves shaping high-quality public spaces related to water, which are often referred to as urban blue spaces (UBS). The aim of the research was to examine the transformation processes of urban waterfront areas in the Baltic Sea Region and identify emerging transition models and types of blue...
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Novel Structures and Applications of Graphene-Based Semiconductor Photocatalysts: Faceted Particles, Photonic Crystals, Antimicrobial and Magnetic Properties
PublicationGraphene, graphene oxide, reduced graphene oxide and their composites with various compounds/materials have high potential for substantial impact as cheap photocatalysts, which is essential to meet the demands of global activity, offering the advantage of utilizing “green” solar energy. Accordingly, graphene-based materials might help to reduce reliance on fossil fuel supplies and facile remediation routes to achieve clean environment...
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STUDY OF CuO AND V2O5 EFFECT ON IR SPECTRA OF POLYCRYSTALLINE BISMUTH NIOBATE
PublicationBismuth niobate (BiNbO4) ceramics were fabricated by mixed oxide method and sintered by presureless sintering method. BiNbO4 ceramics doped with V2O5 additive in amount 0.125 wt%, 0.250 wt% and 1 wt% of was sintered at T = 910°C whereas BiNbO4 ceramics doped with 2 wt% of CuO additive was sintered at T = 890°C and T = 910°C. It was found that V2O5 additive improved morphology of the ceramic samples. However, the chemical composition...
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Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: The Untapped Potential of Hybrid Inorganic Nanotubes
PublicationLinear-scaling density functional theory simulation of methylated imogolite nanotubes (NTs) elucidates the interplay between wall-polarization, bands separation, charge-transfer excitation, and tunable electrostatics inside and outside the NT-cavity. The results suggest that integration of polarization-enhanced selective photocatalysis and chemical separation into one overall dipole-free material should be possible.
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Core–shell excitation of isoxazole at the C, N, and O K-edges – an experimental NEXAFS and theoretical TD-DFT study
PublicationThe near-edge X-ray absorption fine structure (NEXAFS) spectra of the gas-phase isoxazole molecule have been measured by collecting total ion yields at the C, N, and O K-edges. The spectral structures have been interpreted using time-dependent density functional theory (TD-DFT) with the short-range corrected SRC2-BLYP exchange–correlation functional. Experimental and calculated energies of core excitations are generally in good...
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How thermal stability of ionic liquids leads to more efficient TiO2-based nanophotocatalysts: Theoretical and experimental studies
PublicationIonic liquids (ILs) containing distinct nitrogen-bearing organic cations (pyridinium, pyrrolidinium, imidazolium, ammonium, morpholinium) were first used for the preparation of 23 IL-TiO2 types of composites by ionic liquid assisted solvothermal synthesis. These 23 optimal ILs structures (i.e. compounds exhibiting an optimal combination of specific properties, functionality, and safety) for synthesis and experimental validation...
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Crystal Facet Engineering of TiO2 from Theory to Application
PublicationRecently, the surface structure effect on photocatalytic activity has gathered increasing attention due to its reported influence on the charge carrier trapping and separation. Detailed control over the surface structure can be achieved by exposing the specific crystal facets. As a result, the photogenerated electrons and holes can be effectively separated between the different facets of semiconductor crystals. TiO2 is the most...
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Electrode materials for electrochemical capacitors based on poly(3,4-ethylenedioxythiophene) and functionalized multi-walled carbon nanotubes characterized in aqueous and aprotic electrolytes
PublicationWithin this work, we report a facile one-stage synthesis of nanocomposites based on functionalized carbon nanotubes (CNTs) and electroactive polymer poly(3,4-ethylenedioxythiophene). Three different composites are investigated as potential electrode materials for the electrochemical capacitors. Two of the composites contain carbon nanotubes (ox-CNTs), functionalized by acid oxidation process (65% HNO3, 120 °C). The third composite...
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Uniform expansion estimates in the quadratic map with the smallest critical neighborhood for which the expansion exponent λ0 is greater than 0.1
Open Research DataThis dataset contains selected results of numerical computations described in the paper "Quantitative hyperbolicity estimates in one-dimensional dynamics" by S. Day, H. Kokubu, S. Luzzatto, K. Mischaikow, H. Oka, P. Pilarczyk, published in Nonlinearity, Vol. 21, No. 9 (2008), 1967-1987, doi: 10.1088/0951-7715/21/9/002.
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Uniform expansion estimates in the quadratic map with the smallest critical neighborhood for which the expansion exponent λ is greater than 0.1
Open Research DataThis dataset contains selected results of numerical computations described in the paper "Quantitative hyperbolicity estimates in one-dimensional dynamics" by S. Day, H. Kokubu, S. Luzzatto, K. Mischaikow, H. Oka, P. Pilarczyk, published in Nonlinearity, Vol. 21, No. 9 (2008), 1967-1987, doi: 10.1088/0951-7715/21/9/002.
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Bonding in Phosphanylphosphinidene Complexes of Transition Metals and their Correlation with Structures, 31 P NMR Spectra, and Reactivities
PublicationTheoretical studies of the bonding interactions and most important properties are carried out for isolable phosphanylphosphinidene complexes of transition metals. Three main types of phosphanylphosphinidene complexes are distinguished, based on the way in which the phosphanylphosphinidene ligand bonds to the metal center: (i) side-on complexes of platinum, where the R2Pβ–Pα ligand mimics structural features of free singlet phosphanylphosphinidenes...
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Characterization of TiO2 Modified with Bimetallic Ag/Au Nanoparticles Obtained in Microemulsion System
PublicationFotokatalizatory TiO2 modyfikowane nanocząstkami bimetalicznymi Ag/Au przygotowano metodą mikroemulsyjną w układzie woda/surfaktant/cykloheksan. Aktywność fotokatalityczna próbek Ag/Au-TiO2 oszacowano przez wyznaczenie stopnia degradacji fenolu pod wpływem światła VIS. Fenol został użyty jako model zanieczyszczeń, ponieważ jest substancją niebezpieczną dla środowiska. Najwyższą aktywność w zakresie światła widzialnego wykazała...
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FTIR Studies of the Surface of TiO2, Fe-TiO2 and Fe-C-TiO2 Photocatalysts in Phenol Oxidation Via the Photo-Fenton Process
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WITHDRAWN: The kinetics of phenol decomposition under UV irradiation with and without H2O2 on TiO2, Fe-TiO2 and Fe-C-TiO2 photocatalysts
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Two-Dimensional Molybdenum Diselenide Tuned by Bimetal Co/Ni Nanoparticles for Oxygen Evolution Reaction
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Tetrahydrofuran-kO bis(tri-tert-butoxysilanethiolato-k2O,S)chromium(II)
PublicationTytułowy związek jest pierwszym silanotiolanowym kompleksem chromu(II). Atom chromu jest koordynowany przez 0,S-chelatujący tri-tert-butoksysilanotiolanowy ligand oraz dodatkowy ligand - czasteczkę tetrahydrofuranu. Geometrię ligandów wokół atomu chromu można opisać jako piramidę o podstawie kwadratu, z czasteczką tetrahydrofuranu w pozycji wierzchołkowej. Związek ten posiada dwukrotną oś symetrii.
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HBM4EU Chromates Study: Urinary Metabolomics Study of Workers Exposed to Hexavalent Chromium
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Electrochemical characterization of a composite comprising PEDOT/PSS and N doped TiO2 performed in aqueous and non-aqueous electrolytes
PublicationNitrogen doped titania (N-TiO2) was used as an inorganic component of composite electrodes containing poly(3,4-ethylenedioxythiophene) with poly(4-styrenesulphonate) PEDOT/PSS/N-TiO2. The composite materials were obtained by direct electrodeposition from an N-TiO2 suspension containing polyelectrolyte (NaPSS) and monomer EDOT. The electrodes were electrochemically tested in aqueous and non-aqueous electrolytes using cyclic voltammetry...
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Towards Computer-Aided Graphene Covered TiO2-Cu/(CuxOy) Composite Design for the Purpose of Photoinduced Hydrogen Evolution
PublicationIn search a hydrogen source, we synthesized TiO2-Cu-graphene composite photocatalyst for hydrogen evolution. The catalyst is a new and unique material as it consists of copper-decorated TiO2 particles covered tightly in graphene and obtained in a fluidized bed reactor. Both, reduction of copper from Cu(CH3COO) at the surface of TiO2 particles and covering of TiO2-Cu in graphene thin layer by Chemical Vapour Deposition (CVD) were...
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On the Buckling Response of Axially Pressurized Nanotubes Based on a Novel Nonlocal Beam Theory
PublicationIn the present study, the buckling analysis of single-walled carbon nanotubes (SWCNT) on the basis of a new refined beam theory is analyzed. The SWCNT is modeled as an elastic beam subjected to unidirectional compressive loads. To achieve this aim, the new proposed beam theory has only one unknown variable which leads to one equation similar to Euler beam theory and is also free from any shear correction factors. The equilibrium...
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Formation and electronic properties ofBC3single-wall nanotubes upon boron substitution of carbon nanotubes
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GreedyMAX-type Algorithms for the Maximum Independent Set Problem
PublicationA maximum independent set problem for a simple graph G = (V,E) is to find the largest subset of pairwise nonadjacent vertices. The problem is known to be NP-hard and it is also hard to approximate. Within this article we introduce a non-negative integer valued functionp defined on the vertex set V(G) and called a potential function of agraph G, while P(G) = max{vinV(G)| p(v)} is called a potential of G. For any graph P(G) <= D(G),...
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Influence of overstoichiometric boron and titanium addition on the properties of RF magnetron sputtered tungsten borides
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High catalytic performance of tungsten disulphide rodes in oxygen evolution reactions in alkaline solutions
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Warstwy tlenkowe TiO2 oraz MoO3 jako fotoanody aktywne w świetle widzialnym
PublicationNiniejsza rozprawa doktorska poświęcona jest opracowaniu metod otrzymywania i charakterystyki warstw elektrodowych dwóch półprzewodników tlenkowych a) TiO2 i b) MoO3, jako potencjalnych fotoanod aktywnych w świetle widzialnym. Zakres pracy doktorskiej obejmuje: a) opracowanie metody wytwarzania nanorurek ditlenku tytanu (TiO2NT) oraz ich modyfikację prowadzącą do zwiększenia fotoaktywności i pojemności elektrycznej, a także charakterystykę...
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Does the low optical band gap of yellow Bi3YO6 guarantee the photocatalytical activity under visible light illumination?
PublicationBi3YO6, 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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Mathematical modeling and prediction of pit to crack transition under cyclic thermal load using artificial neural network
PublicationThe formation of pitting is a major problem in most metals, which is caused by extremely localized corrosion that creates small holes in metal and subsequently, it changes into cracks under mechanical load, thermo-mechanical stress, and corrosion process factors. This research aims to study pit to crack transition phenomenon of steel boiler heat tubes under cyclic thermal load, and mathematical modeling...
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An application for a new type of pneumatic engine concept
PublicationHeavy trucks are often equipped with loading and unloading systems like dock levellers with swing lip or telescopic lip. Most of these devices require hydro-electrical energy supply systems (eg. the pump that presses the working substance to the actuators must be propelled by electric engine.) The space taken by pump with electric engine can be reduced on condition that a new type of pneumatic drive will be considered. It is possible...
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Implementation of Hermite-Ritz method and Navier’s Technique for Vibration of Functionally Graded Porous Nanobeam Embedded in Winkler-Pasternak Elastic Foundation Using bi-Helmholtz type of nonlocal elasticity
PublicationPresent study is devoted to investigating the vibration characteristics of Functionally Graded (FG) porous nanobeam embedded in an elastic substrate of Winkler-Pasternak type. Classical beam theory (CBT) or Euler-Bernoulli beam theory (EBT) has been incorporated to address the displacement of the FG nanobeam. Bi-Helmholtz type of nonlocal elasticity is being used to capture the small scale effect of the FG nanobeam. Further, the...
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Aryl and N-arylamide carbon nanotubes for electrical coupling of laccase to electrodes in biofuel cells and biobatteries
PublicationSingle walled carbon nanotubes (SWCNTs) were equipped with aryl residues by chemical reactions. These insoluble materials were used to substitute classical soluble mediators, which help to transfer electrical charge between the conducting electrode and the redox active center of enzyme molecules. The effect of different aryl residues on the efficiency of the catalytic reduction of dioxygen in the presence of laccase was systematically...
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Dynamic modeling of non-cylindrical curved viscoelastic single-walled carbon nanotubes based on the second gradient theory
PublicationThis paper is devoted to the theoretical study of the dynamic response of non-cylindrical curved viscoelastic single-walled carbon nanotubes (SWCNTs). The curved nanotubes are largely used in many engineering applications, but it is challenging in understanding mechanically the dynamic response of these curved SWCNTs when considering the influences of the material viscosity. The viscoelastic damping effect on the dynamic response...
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Fabrication and photoactivity of ionic liquid–TiO2 structures for efficient visible-light-induced photocatalytic decomposition of organic pollutants in aqueous phase
PublicationTo investigate the effect of the ionic liquid (IL) chain length on the surface properties and photoactivity of TiO2, a series of TiO2 microspheres have been synthesized via a solvothermal method assisted by 1-methyl-3-octadecylimidazolium chloride ([ODMIM][Cl]) and 1-methyl-3-tetradecylimidazolium chloride ([TDMIM][Cl]). All as-prepared samples were characterized by X-ray powder diffraction (XRD), X-ray photoelectron spectroscopy...
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Silver intercalated carbon nanotubes
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