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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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Opis metody określania stopnia zwilżalności powierzchni cienkich warstw na przykładzie TiO2
Publicationrozdział opisuje sposób określania stopnia zwilżalności powierzchni cienkich warstw tio2. badane warstwy wytworzono za pomocą zmodyfikowanej metody rozpylania magnetronowego. zwilżalność określono za pomocą specjalistycznego stanowiska do pomiaru kąta zwilżania metodą tak zwanej siedzącej kropli. wyniki pokazały, że badane warstwy tio2 posiadały właściwości hydrofilowe.
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Preparation, characterization and photocatalytic activity of TiO2 microspheres decorated by bimetallic nanoparticles
PublicationComposite photocatalysts that consist of TiO2and noble metal nanostructures have been considered tobe the promising and pivotal material for accessible enhancement of the efficiency in the photocatalyticprocess carried out in the aqueous and gas phases. In this work we fabricated porous TiO2microspheresthrough a hydrothermal process followed by photochemical reduction of noble metal nanoparticles atthe TiO2surface. The morphology...
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Study of Phase and Chemical Composition of Bi1-xNdxFeO3 Powders Derived by Pressureless Sintering
PublicationIn the present paper studies on Bi1xNdxFeO3 for x =0.1-0.4 are reported. The mixed oxide method followed with pressureless sintering was employed for ceramics fabrication. Thermal behavior of stoichiometric mixtures of simple oxide powders, viz. Bi2O3, Nd2O3 and Fe2O3 was studied by simultaneous thermal analysis. It was found that with an increase in neodymium content the weight loss increased from 0.75% to 3.16% for x =0.1 and...
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Diffusion equations with spatially dependent coefficients and fractal Cauer-type networks
PublicationIn this article, we formulate and solve the representation problem for diffusion equations: giving a discretization of the Laplace transform of a diffusion equation under a space discretization over a space scale determined by an increment h > 0, can we construct a continuous in h family of Cauer ladder networks whose constitutive equations match for all h > 0 the discretization. It is proved that for a finite differences discretization...
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Properties of Oxygen Vacancy and Hydrogen Interstitial Defects in Strontium Titanate: DFT + Ud,p Calculations
PublicationThis work presents extensive theoretical studies focused on the mixed ion-electron transport in cubic strontium titanate (STO). A new approach to the description of this difficult system was developed within the framework of linear-scaling Kohn–Sham density functional theory, as realized in the ONETEP program. The description we present is free of any empirical parameters and relies on the Hubbard U and Hund’s J corrections applied...
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Uniform expansion estimates in the quadratic map with the smallest critical neighborhood for which the expansion exponent λ0 is positive
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 positive
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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Integrating Art into Places in Transition - Rose Kennedy Greenway in Boston as a Case Study
PublicationAmong the many projects realized in public spaces, some are truly unique – and these are the ones that build the identity of a place. The aim of this paper is to examine how integrating art and cultural strategies into public space can enhance and reinforce the sense of a place. Particular attention is devoted to urban spaces that we call “places in transition”, where public art improves the city’s imaginative capacity, enlivens...
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Oxidation kinetics of Zircaloy-4 alloy at 673 K determined by GDOES technique
PublicationOxidation of zirconium alloys is a process that takes place during the operation of nuclear reactors and is essential for assessing the durability of fuel claddings. The present study was aimed to determine the oxidation kinetics of the Zircaloy-4 alloy using GDOES (glow discharge optical emission spectroscopy) at temperature 673 K corresponding to the conditions of use of fuel pellets. The tests were performed on non-oxidized...
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Large-scale DFT calculations in implicit solvent-A case study on the T4 lysozyme L99A/M102Q protein
PublicationW ostatnich latach zaproponowano szereg modeli typu implicit solvent, ktore bazują na bezpośrednim rozwiązaniu niejednorodnego równania Poissona w przestrzeni rzeczywistej. Modele te charakteryzują się elegancją, ponieważ wnęka, w której umieszczona jest molekuła substancji rozpuszczanej zdefiniowana jest bezpośrednio w funkcji gęstości elektronowej, a rozkład ładunku jest w sposób samouzgodniony polaryzowany dzięki reakcji dielektryka,...
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Rotation Triggers Nucleotide-Independent Conformational Transition of the Empty β Subunit of F1-ATPase
PublicationF1-ATPase (F1) is the catalytic portion of ATP synthase, a rotary motor protein that couples proton gradients to ATP synthesis. Driven by a proton flux, the F1 asymmetric γ subunit undergoes a stepwise rotation inside the α3β3 headpiece and causes the β subunits’ binding sites to cycle between states of different affinity for nucleotides. These concerted transitions drive the synthesis of ATP from ADP and phosphate. Here, we study...
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Synthesis of N-doped TiO2 nanoparticles with enhanced photocatalytic activity for 2,4-dichlorophenol degradation and H2 production
PublicationNitrogen-doped titanium dioxide (N-TiO2) nanoparticles were prepared using a modified sol-gel method. The as-prepared nanoparticles were characterized by state-of-the-art techniques for their optical, structural and morphological properties. The crystallite size, surface area and bandgap energy of reference TiO2 and N-TiO2 nanoparticles were found to be 16.1 and 10.9 nm, 83.6 and 131.8 m2 g−1 and 3.23 and 2.89 eV, respectively....
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Experimental study on the feasibility of alternative materials for tilting pad thrust bearings operating in transition to mixed friction
PublicationIn hydrodynamic bearings traditional bearing alloys: Babbitts and bronzes are most frequently utilized. Polymer sliding layers are sometimes applied as a valuable alternative. Hard diamond-like carbon (DLC) coatings, which are also considered for certain applications may show some advantages, as well. Although material selection is of secondary importance in a full film lubrication regime it becomes important in mixed friction...
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Generation of hydroxyl radicals in UV/TiO2 and UV/H2O2 systems
PublicationPrzeprowadzono badania efektywności generowania rodników hydroksylowych dla różnych warunkow fotokatalitycznego utleniania. Rodniki hydroksylowe oznaczano pośrednią metodą utleniania metanolu, w której następuje spektrofotometryczne oznaczenie powstałego formaldehydu po derywatyzacji z 2,4-dinitrofenylohydrazyną. Badania wykazały, że wzrost pH zwiększa efektywność generowania ·OH zarówno w układzie hetero- i homogenicznym....
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Highly Active TiO2 Microspheres Formation in the Presence of Ethylammonium Nitrate Ionic Liquid
PublicationSpherical microparticles of TiO2 were synthesized by the ionic liquid-assisted solvothermal method at different reaction times (3, 6, 12, and 24 h). The properties of the prepared photocatalysts were investigated by means of UV-VIS diffuse-reflectance spectroscopy (DRS), Brunauer–Emmett–Teller (BET) surface area measurements, scanning electron microscopy (SEM), X-ray diffraction analysis (XRD), and X-ray photoelectron spectroscopy...
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Chromium, nickel and vanadium mobility in soils derived from fluvioglacial sands
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Bis(tetrahydrofuran-κO)tris(tri-tert-butoxysiloxy)chromium(III)
PublicationOtrzymano kompleksowy silanolan chromu: bis(tetrahydrofuran)tris(tri-tert-butoksysiloksy)chrom(III) i wyznaczono strukturę rentgenowską tego związku. Wielościan koordynacyjny atomu chromu ma kształt bipiramidy trygonalnej, w której cząsteczki tetrahydrofuranu zajmują pozycje osiowe.
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Modified and pristine biochars for remediation of chromium contamination in soil and aquatic systems
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A Hopf type theorem for equivariant local maps
PublicationWe study otopy classes of equivariant local maps and prove a Hopf type theorem for such maps in the case of a real finite-dimensional orthogonal representation of a compact Lie group.
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Integrated Photocatalytic Advanced Oxidation System (TiO2/UV/O3/H2O2) for Degradation of Volatile Organic Compounds
PublicationSeveral advanced oxidation processes (AOPs) including photocatalytic processes were studied for effective treatment of complex model wastewater containing a wide variety of VOCs. The studies revealed synergistic effects of TiO2 based processes for improved degradation of the VOCs. A peroxone combined with TiO2/UV system (TiO2/UV/O3/H2O2) with a ratio between the oxygen source from the oxidant to chemical oxygen demand (COD) of...
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Theoretical designing of selenium heterocyclic non-fullerene acceptors with enhanced power conversion efficiency for organic solar cells: a DFT/TD-DFT-based prediction and understanding
PublicationIn this study, we have designed and explored a new series of non-fullerene acceptors for possible applications in organic solar cells. We have designed four molecules named as APH1 to APH4 after end-capped modification of recently synthesized Y6-Se-4Cl molecule. Density functional theory and time dependent-density functional theory have been employed for computing geometric and photovoltaic parameters of the designed molecules....
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FTIR in situ - ethylene decomposition on TiO2
Open Research DataThese data contain FTIR spectra recorded in FTIR spectrometer Nicolet iS50 coupled with High Temperature Chamber "The Praying Mantis". These spectra were measured for TiO2 irradiated by UV and under flowing of ethylene gas diluted in air. FTIR spectra were measured in situ during the photocatalytic process of ethylene decomposition. In order to identify...
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Catalysis on polymer supports: ESR of molybdenum (V) dispersed in poly(acrylic acid) matrices
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Fabrication and photoactivity of organic-inorganic systems based on titania nanotubes and PEDOT containing redox centres formed by different Prussian Blue analogues
PublicationHerein, the heterojunction composed of an inorganic substrate: ordered hydrogenated titania nanotubes (H-TiO2NTs) and a deposited organic film: poly(3,4-ethylenedioxythiophene) (PEDOT) is reported. The conducting polymer is modified with different transition metal haxacyanoferrates (Mehcf), wherein as metal: copper, iron, cobalt and nickel are introduced. The presence of various metal centres provides characteristic redox activity...
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Optical properties of thin TiO2 film deposited on the fiber optic sensor head
PublicationThe presented study was focused on investigation of the titanium dioxide (TiO2) thin film deposited on the fiber tip. The intention of this investigation was using TiO2 film in the construction of the optical fiber sensor head. In the demonstrated construction TiO2 thin layer was deposited on the tip of a commonly used telecommunication single mode optical fiber (SMF-28) by means of the Atomic Layer Deposition (ALD). Thickness...
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Evaluation of adhesion strength, corrosion, and biological properties of the MWCNT/TiO2 coating intended for medical applications
PublicationMulti-wall carbon nanotube (MWCNT) coatings are gaining increasing interest because of their special properties used in many science fields. The titania coatings are known for their improvement of osteoblast adhesion, thus changing the surface architecture. Bi-layer coatings comprising 0.25 wt% of the MWCNTs and 0.30 wt% of titania (anatase structure) were synthesized in a two-stage procedure using the electrophoretic deposition...
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Improvement of charge separation in TiO 2 by its modification with different tungsten compounds
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Surface texture formation in precision machining of direct laser deposited tungsten carbide
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Surface roughness analysis after machining of direct laser deposited tungsten carbide
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Studies on novel BiyXz-TiO2/SrTiO3 composites: Surface properties and visible light-driven photoactivity
PublicationA series of novel BiyXz-TiO2/SrTiO3 composites were prepared by multistep synthesis route. The asprepared photocatalysts were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), diffuse reflectance spectroscopy (DRS), Fourier transform infrared (FT-IR), Raman spectra and BET analysis. The photocatalytic activity test was performed in aqueous solution of phenol under...
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Studies of Transition States and Societies
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Science and Technology for Energy Transition
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Economics of Transition and Institutional Change
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On the existence of homoclinic type solutions of inhomogenous Lagrangian systems
PublicationWe study the existence of homoclinic type solutions for a class of inhomogenous Lagrangian systems with a potential satisfying the Ambrosetti-Rabinowitz superquadratic growth condition and a square integrable forcing term. A homoclinic type solution is obtained as a limit of periodic solutions of an approximative sequence of second order differential equations.
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Manifestation of Intermolecular Interactions in the IR Spectra of 2- and 4-Methylmethcathinones Hydrochlorides: DFT Study and Hirshfeld Surfaces Analysis
PublicationThis paper reports a Hirshfeld surfaces analysis of crystalline 2- and 4-methylmethcathinone (2-MMC and 4-MMC) hydrochlorides to analyze NH∙Cl and CH∙∙∙Cl intermolecular interactions and approve the formation of the NН2+–Cl– salt fragment in both 2-MMC∙HCl and 4-MMC∙HCl crystals. Two isomeric dimers were separated from the corresponding crystal packing to model IR spectra of the crystalline 2-MMC∙HCl...
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Group-9 Transition-Metal Suboxides Adopting the Filled-Ti2Ni Structure: A Class of Superconductors Exhibiting Exceptionally High Upper Critical Fields
PublicationTi2Ni and the related η-carbide structure are known to exhibit various intriguing physical properties. The Ti2Ni structure with the cubic space group Fd3̅m is surprisingly complex, consisting of a unit cell with 96 metal atoms. The related η-carbide compounds correspond to a filled version of the Ti2Ni structure. Here, we report on the structure and superconductivity in the η-carbide-type suboxides Ti4M2O with M = Co, Rh, and Ir....
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ECONOMICS OF TRANSITION
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Global Development and International Order Transition
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SEM micrographs of the topography of Cu-Sn-TiO2 nanocomposite coatings
Open Research DataThe dataset contains the scanning electron microscopy (SEM) micrographs of nanocomposite Cu-Sn-TiO2 coatings electrodeposited from oxalic acid bath containing Cu and Sn salts as well as TiO2 nanoparticles under various treatments: mechanical stirring, ultrasonic or none. The details of the electrodeposition process are presented in the readme file attached...
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Influence of titanium layer on counter electrode on electrical parameters of DSSC
PublicationIn this paper the influence of the Ti layer thickness at counter-electrode on electrical parameters of DSSCs was examined. The transparent conductive oxide – less (TCO-less) counter electrodes (CE) with titanium layers and platinum as catalyst on Bk7 glass were prepared. Thin metallic films were deposited by means of magnetron sputtering (titanium) and Pulsed Laser Deposition (platinum). The counter electrode with Pt layer on Fluorine...
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Fabrication and properties of electrode material composed of ordered titania nanotubes and pEDOT:PSS
PublicationWe report on the two-stage preparation method of electrode material composed of titania nanotubes and poly(3,4-ethylenedioxythiopene):poly(2-styrenesulphonate) conductive polymer (pEDOT:PSS). Initially, titania nanotube arrays were produced by the anodization process of Ti substrate. Next, the polymer was potentiostatically deposited onto the thermally annealed nanotube arrays from the electrolyte containing monomer and counter...
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Modelling and optimisation of MXene-derived TiO2/Ti3C2 synthesis parameters using Response Surface Methodology based on the Box–Behnken factorial design. Enhanced carbamazepine degradation by the Cu-modified TiO2/Ti3C2 photocatalyst
PublicationIn the present study, a hydrothermal method in a water/ethanol environment was used for the first time to obtain novel Cu/TiO2/Ti3C2 composites with high photocatalytic activity for the degradation of carbamazepine (CBZ) under simulated solar light. The Box–Behnken factorial design was coupled with Response Surface Methodology (RSM) for synthesis parameter optimisation. The effect of different synthesis parameters, including temperature, time...
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Effect of isovalent substitution on microstructure and phase transition of LaNb1−xMxO4 (M=Sb, V or Ta; x=0.05–0.3)
PublicationLaNb1−xMxO4 oxides with pentavalent elements of different ionic sizes (M=Sb, Ta and V, x=0.05–0.3) were synthesized by the solid state reaction method. Special interest was devoted to the antimony substituted lanthanum niobate which is a new material in this group. Rietveld analysis of the X-ray diffraction patterns was used to determine the influence of the material composition on unit cell parameters. On the basis of dilatometric...
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Anomalous anisotropy of deuterium-grown boron-doped diamond and the role of boron-tetramers in the Mott-Insulator transition
Open Research DataWe show anisotropy in the superconductivity for boron-doped diamond thin films prepared with Microwave Plasma Assisted Chemical Vapor Deposition using deuterium-rich plasma. This anomalous phase transition is linked with the emergence of boson quantum entanglement states behaving as a bosonic insulating state. Here, we show that the superconducting...
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Physicochemical and photocatalytic data of TiO2/MXene/MnFe2O4 photocatalysts
Open Research DataThis dataset includes data regarding the physicochemical properties (i.e. XRD, DR/UV-vis, TEM images, photoluminescence) and photocatalytic activity of TiO2/MXene/MnFe2O4 photocatalysts. The data comprise the results of the photocatalytic reaction of carbamazepine and ibuprofen degradation.
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Badania nad wykorzystaniem fotokatalizatorów WO3/TiO2 do degradacji wybranych zanieczyszczeń organicznych
PublicationW dysertacji skupiono się na: preparatyce fotokatalizatorów WO3/TiO2, weryfikacji efektywności działania kompozytów w kierunku fotokatalitycznego usuwania zanieczyszczeń oraz analizie wyników pod kątem zaprojektowania i skonstruowania fotoreaktora wyposażonego w sterowane źródło światła LED do fotokatalitycznej degradacji zanieczyszczeń. Fotokatalizatory otrzymano łącząc dwie metody preparatyki – zol-żel i hydrotermalną. Otrzymano...
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Preparation and photocatalytic activity of boron-modified TiO2 under UV and visible light
PublicationOtrzymano TiO2 domieszkowany borem i wyznaczono jego aktywność fotokatalityczną w zakresie światła UV i Vis. Katalizatory otrzymano metodą zol-żel lub poprzez ucieranie dwutlenku tytanu z prekursorami B. Jako źródło boru zastosowano kwas borowy lub ester trietylowy kwasu borowego. Fotoaktywność próbek badano w reakcji degradacji fenolu (Co = 0,21 mmol/dm3 ) w zakresie światła Vis lub UV. Obecność węgla i boru we wszystkich przygotowanych...
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Excitation energy transfer in partly ordered polymer films differing in donor and acceptor transition moments orientation
PublicationBased on spectroscopic measurements selected properties of nonradiative Förster energy transport are studied in uniaxially stretched polyvinyl alcohol thin films for three systems differing in donor and acceptor transition moments orientation relative to the axis of stretching. In particular, donor – acceptor emission anisotropy spectra yield completely different regularities for these systems in uniaxially stretched films, whereas...
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Magnetyczne fotokatalizatory na bazie TiO2 do degradacji zanieczyszczeń w fazie wodnej
PublicationFotokataliza stanowi alternatywę dla tradycyjnych metod oczyszczania wód i ścieków z trudno degradowalnych zanieczyszczeń organicznych. Zastosowanie TiO2 umożliwia efektywne usuwanie związków chloroorganicznych, alkoholi, kwasów organicznych, pestycydów, barwników, węglowodorów aromatycznych oraz związków powierzchniowo czynnych z fazy wodnej. Poważnym ograniczeniem zastosowania TiO2 na szeroką skalę w procesach oczyszczania ścieków...
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Impact of Tetrazolium Ionic Liquid Thermal Decomposition in Solvothermal Reaction on the Remarkable Photocatalytic Properties of TiO2 Particles
PublicationIonic liquids (ILs) could serve as a structuring agent, a solvent, or a source of dopant during solvothermal synthesis of semiconductors particles. To understand the role of IL during formation of TiO2 particles, it is necessary to study the stability of this IL in solvothermal synthesis conditions, as well as studying the surface properties of formed TiO2 particles. In view of this, the effect of the 2,3,5-triphenyltetrazolium...