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Optical and photoelectrochemical characterization of pulsed laser deposited Bi4V2O11, BICUVOX, and BIZNVOX
PublicationThin layers of three compounds from the BIMEVOX family (Bi4V2O11, Bi2V0.9Cu0.1O5.35, and Bi2V0.9Zn0.1O5.35) were prepared via pulsed laser deposition technique on quartz, silicon, and platinum foil and tested as photoanodes for water photooxidation. The film formation, as well as the crystallization upon heating, was characterized using X-ray diffraction and Raman spectroscopy. The optical properties were investigated using spectroscopic...
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Ellipsometric investigation of nitrogen doped diamond thin films grown in microwave CH4/H2/N2 plasma enhanced chemical vapor deposition
PublicationThe influence of N2 concentration (1%–8%) in CH4/H2/N2 plasma on structure and optical properties of nitrogen doped diamond (NDD) films was investigated. Thickness, roughness, and optical properties of the NDD films in the VIS–NIR range were investigated on the silicon substrates using spectroscopic ellipsometry. The samples exhibited relatively high refractive index (2.6 6 0.25 at 550 nm) and extinction coefficient (0.05 6 0.02...
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The influence of Be addition on the structure and thermal properties of alkali-silicate glasses
PublicationBe-Na-(Li)-Si oxide glasses containing up to 15 mol% of BeO were prepared. Their structure was characterized by X-ray powder diffraction and Raman as well as infrared spectroscopic techniques, while their chemical compositions were examined by Inductively Coupled Plasma Optical Emission Spectrometry. All materials were found to be amorphous and contain Al contaminations from minor dissolution of the alumina crucibles. The results...
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Hydration of Simple Model Peptides in Aqueous Osmolyte Solutions
PublicationThe biology and chemistry of proteins and peptides are inextricably linked with water as the solvent. The reason for the high stability of some proteins or uncontrolled aggregation of others may be hidden in the properties of their hydration water. In this study, we investigated the effect of stabilizing osmolyte–TMAO (trimethylamine N-oxide) and destabilizing osmolyte–urea on hydration shells of two short peptides, NAGMA (N-acetyl-glycine-methylamide)...
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Enhanced photocatalytic activity of accordion-like layered Ti3C2 (MXene) coupled with Fe-modified decahedral anatase particles exposing {1 0 1} and {0 0 1} facets
PublicationNew composites consisting of decahedral anatase particles exposing {001} and {101} facets coupled with accordion-like layered Ti3C2 with boosted photocatalytic activity towards phenol and carbamazepine degradation were investigated. The photocatalysts were characterized with X-ray diffraction (XRD), diffuse reflectance spectroscopy (DR/UV–Vis), Brunauer-Emmett-Teller (BET) specific surface area, Raman spectroscopy, scanning electron...
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Optoelectronic system for investigation of cvd diamond/DLC layers growth
PublicationDevelopment of the optoelectronic system for non-invasive monitoring of diamond/DLC (Diamond-Like-Carbon) thin films growth during μPA ECR CVD (Microwave Plasma Assisted Electron Cyclotron Resonance Chemical Vapour Deposition) process is described. The system uses multi-point Optical Emission Spectroscopy (OES) and long-working-distance Raman spectroscopy. Dissociation of H2 molecules, excitation and ionization of hydrogen atoms...
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Diaminophosphinoboranes: effective reagents for phosphinoboration of CO2
PublicationThe monomeric diaminophosphinoboranes readily react with CO2 under mild conditions to cleanly form products of the general formula R2P-C(=O)-O-B(NR2)2 in the absence of a catalyst. The isolated products from the CO2-phosphinoboration were fully characterized by NMR spectroscopy, IR spectroscopy, and X-ray diffraction. The mechanism of CO2 phosphinoboration with diaminophosphinoboranes was elucidated by DFT calculations.
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Tuning of eg electron occupancy of MnCo2O4 spinel for oxygen evolution reaction by partial substitution of Co by Fe at octahedral sites
PublicationTo study the effect of partial Co substitution by Fe in the B site of MnCo2O4 spinel on its physicochemical and electrochemical properties, a series of MnCo2-xFexO4 powders (x=0.125; 0.250; 0.500; 0.750; 1.000) were synthesized by means of the sol-gel method. The produced powders were characterized by powder X ray diffraction (pXRD), scanning and transmission electron microscopy (SEM & TEM) coupled with energy dispersive spectroscopy...
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A comprehensive evaluation of mimosa extract as a corrosion inhibitor on AA6060 alloy in acid rain solution: part I. Electrochemical AC methods
PublicationThe inhibition effect of mimosa extract on the corrosion of AA6060 aluminum alloy in acid rain solution was investigated by electrochemical impedance spectroscopy and dynamic electrochemical impedance spectroscopy (DEIS). All the studied electrochemical parameters showed good corrosion inhibitive characteristics with respect to the aluminum alloy in the tested solution. Inhibitor efficiency increased with the concentration and...
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Nanocrystalline CVD Diamond Coatings on Fused Silica Optical Fibres: Optical Properties Study
Publicationpre-treatment by dip coating in two detonation nanodiamond (DND) seeding media has been studied. The DND suspension in ethyl alcohol and dispersion of DND in dimethyl sulfoxide (DMSO) with polyvinyl alcohol (PVA) were chosen for the seeding purpose. The grain size distribution of nanodiamond particles in both seeding media was kept at the same level (approximately 1050 nm). After the seeding nanocrystalline diamond lms were deposited...
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Towards sugar-derived polyamides as environmentally friendly materials
PublicationAs part of our ongoing study investigating isohexide-based polyamides, we have synthesized isosorbide(bis(propan-1-amine)) (DAPIS) and studied its reactivity in the polymerization towards fully biobased polyamides. Polycondensation of nylon salts with various contributions of DAPIS afforded a family of homo- and copolyamides, which were characterized using complementary spectroscopic techniques. The chemical structure of the materials...
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Diagnostics of zno varistors by means of nondestructive testing
PublicationStandard industrial testing of high-voltage varistors for surge arresters demands application of high voltages and intensive currents. Nondestructive methods for varistor quality and endurance evaluation have been proposed and described. They rely on the application of resonant ultrasound spectroscopy, electro-ultrasonic spectroscopy, noise measurement and nonlinearity testing at voltages lower than continuous operating range....
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ZnO-decorated green-synthesized multi-doped carbon dots from Chlorella pyrenoidosa for sustainable photocatalytic carbamazepine degradation
PublicationThe promising green synthesis of carbon dots (CDs) from microalga Chlorella pyrenoidosa was achieved using simple hydrothermal and microwave-assisted methods. Doping of nanomaterials by nonmetals (N, S, and P) was confirmed by X-ray photoelectron spectroscopy (XPS), while the existence of metals in the CDs was confirmed by inductively coupled plasma optical emission spectroscopy (ICP-OES) and transmission electron microscopy (TEM),...
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Thin layer of ordered boron-doped TiO2 nanotubes fabricated in a novel type of electrolyte and characterized by remarkably improved photoactivity
PublicationThis paper reports a novel method of boron doped titania nanotube arrays preparation by electrochemical anodization in electrolyte containing boron precursor – boron trifluoride diethyl etherate (BF3 C4H10O), simultaneously acting as an anodizing agent. A pure, ordered TiO2 nanotubes array, as a reference sample, was also prepared in solution containing a standard etching compound: ammonium fluoride. The doped and pure titania...
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The effects of bifunctional linker and reflux time on the surface properties and photocatalytic activity of CdTe quantum dots decorated KTaO3 composite photocatalysts
PublicationNovel CdTe-KTaO3composite photocatalysts were successfully synthesized by using thioglycolic acid(TGA) or 3-mercaptopropionic acid (MPA) as linker molecules which facilitated attachment of CdTequantum dots to the surface of KTaO3nanocubes. The as-prepared photocatalysts were characterizedby UV–vis diffuse reflectance spectroscopy (DRS), X-ray diffraction (XRD), scanning electron microscopy(SEM), transmission electron microscopy...
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Influence of Two-Stage Anodization on Properties of the Oxide Coatings on the Ti–13Nb–13Zr Alloy
PublicationThe increasing demand for titanium and its alloys used for implants results in need of such innovative surface treatment that may jointly increase corrosion resistance and biocompatibility, and demonstrate antibacterial protection at no cytotoxicity. The purpose of this research was to characterize the effect of two-stage anodization, performed for 30 min in phosphoric acid, at the presence of hydrofluoric acid in the second stage....
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Properties of Composite Oxide Layers on The Ti13Nb13Zr Alloy
PublicationThe development of composite oxide layers on the Ti13Nb13Zr alloy, their structure and properties have been demonstrated. Two subsequent methods were applied to prepare the composite layers. During the first stage gas oxidation produced a solid oxide layer, and subsequently oxide nanotubes were produced by using an electrochemical method. Scanning electron microscopy (SEM), chemical analysis, energy dispersive X-ray spectroscopy...
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Structural and luminescence properties of B2O3-Bi2O3-AlF3 glass doped with Eu3+, Tb3+ and Tm3+ ions
PublicationThe B2O3-Bi2O3-AlF3 glass system doped with Eu3+, Tb3+, Tm3+ and triply doped with Eu3+/Tm3+/Tb3+ ions in different molar ratios were successfully synthesized. Glass transition and crystallization temperatures were examined by Differential Scanning Calorimetry (DSC) measurements. X-ray Diffraction (XRD) confirmed the amorphous character of the samples. Fourier Transform Infrared Spectroscopy (FTIR) revealed that the glass matrix...
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Preparation and Characterization of Defective TiO2. The Effect of the Reaction Environment on Titanium Vacancies Formation
PublicationAmong various methods of improving visible light activity of titanium(IV) oxide, the formation of defects and vacancies (both oxygen and titanium) in the crystal structure of TiO2 is an easy and relatively cheap alternative to improve the photocatalytic activity. In the presented work, visible light active defective TiO2 was obtained by the hydrothermal reaction in the presence of three different oxidizing agents: HIO3, H2O2, and...
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Perovskite-type KTaO3–reduced graphene oxide hybrid with improved visible light photocatalytic activity
PublicationNovel rGO–KTaO3 composites with various graphene content were successfully synthesized using a facile solvothermal method which allowed both the reduction of graphene oxide and loading of KTaO3 nanocubes on the graphene sheets. The as-prepared photocatalysts were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM) with energy dispersive X-ray analysis (EDX), Fourier...
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Pilot-Scale Studies of WO3/S-Doped g-C3N4 Heterojunction toward Photocatalytic NOx Removal
PublicationDue to the rising concentration of toxic nitrogen oxides (NOx) in the air, effective methods of NOx removal have been extensively studied recently. In the present study, the first developed WO3/S-doped g-C3N4 nanocomposite was synthesized using a facile method to remove NOx in air efficiently. The photocatalytic tests performed in a newly designed continuous-flow photoreactor with an LED array and online monitored NO2 and NO system...
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Electrochemical, theoretical and surface physicochemical studies of the alkaline copper corrosion inhibition by newly synthesized molecular complexes of benzenediamine and tetraamine with π acceptor
PublicationTwo charge transfer complexes, namely [(BDAH)+(PA−)] CT1 [(BTAH)2+(PA−)2] and CT2 (BDAH = 1,2-benzenediamine, BTAH = 1,2,4,5-benzenetetramine, and PA− = 2,4,6-trinitrophenolate), were synthesized and fully characterized using various spectroscopic techniques. CT1 and CT2 were tested as inhibitors to effectively control the uniform and anodic corrosion processes of copper in an alkaline electrolyte (1.0 M KOH) using various electrochemical...
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Tuning of the Electrochemical Properties of Transparent Fluorine-doped Tin Oxide Electrodes by Microwave Pulsed-plasma Polymerized Allylamine
PublicationWe report here the dry, one-step, and low-temperature modification of FTO surfaces using pulsed plasma polymerization of allylamine (PPAAm). PPAAm/FTO surfaces were characterized by X-ray photoelectron spectroscopy, spectroscopic ellipsometry, and contact angles to understand the morphological, structural, and optical properties. FTO were coated with a very thin layer of adherent cross-linked, pinhole-, and additive-free allylamine...
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Incorporation of nitrogen in diamond films – A new way of tuning parameters for optical passive elements
PublicationThis paper investigates the impact of nitrogen incorporation in diamond films for the construction of an interferometric sensor to measure displacement. Diamond films with different nitrogen levels (0–5%) were deposited on silicon substrates by microwave plasma enhanced chemical vapor deposition. The structural characteristics of these samples are characterized using scanning electron microscopy (SEM), atomic force microscopy (AFM), confocal...
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Optoelectronic system for monitoring of thin diamond layers growth
PublicationDevelopment of the optoelectronic system for monitoring of diamond/DLC (Diamond-Like-Carbon) thin films growth during mu PA ECR CVD (Microwave Plasma Assisted Electron Cyclotron Resonance Chemical Vapour Deposition) process is described. The multi-point Optical Emission Spectroscopy (OES) and Raman spectroscopy were employed as non-invasive optoelectronic tools. Dissociation of H-2 molecules, excitation and ionization of hydrogen...
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Micro-Raman spectroscopy in the studies of multiphase separated polyurethanes. [online] W: [Proc.] UTECH Europe 2003 . The International Polyurethane Industry Conference and Exhibition. 25/26/27 March 2003, The Hague, Netherlands. London: Crain Communications Ltd. Dostępny w World Wide Web: http://UTECH-2003.com + wydruk.**2003 [s. 123-130 bibliogr. 41 poz.]Mikro-Ramanowska spektroskopia w badaniach poliuretanów wykazujących separację wielofazową.
PublicationPrzedmiotem badań były trzy próbki poliuretanowe o zawartości 30% segmentówsztywnych otrzymanych z politlenku propylenu, diizocyjanianu difenylometanui butanodiolu. Próbki te wykazują morfologię wielofazową, w której można wy-różnić globule i sferolity rozproszone w matrycy polimerowej.Za pomocą spek-troskopii mikro-Ramana przeprowadzono mikroanalizę chemiczną wszystkich ele-mentów morfologicznych. Stwierdzono odmienny skład...
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Analiza oddziaływań w kryształach związków zawierających w strukturze pierścień pirydynowy
PublicationMożliwość tworzenia się wiązań wodorowych jest kluczowym parametrem z punktu widzenia inżynierii kryształu, ponieważ wiązania wodorowe mają bezpośredni wpływ na strukturę oraz trwałość sieci krystalicznej. Głównym celem niniejszej rozprawy doktorskiej była analiza porównawcza wiązań wodorowych występujących w układach, zawierających w strukturze pierścień pirydynowy. Badane układy podzielono na: (1) układy ze związkami krzemosiarkowymi...
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Hydrogen migration in formation of NH(A3Π) radicals in photodissociations of isoxazole and pyridine molecules
PublicationIn the present study, the H atom migration was observed in the photodissociation processes of the isoxazole and pyridine molecules in the gas-phase, applying the photon-induced fluorescence spectroscopy (PIFS).
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Modyfikacja kompozytów elastomerowych NR za pomocą ligniny i glicerolizatu
PublicationPrzedmiotem opisanych w niniejszym artykule badań są wulkanizaty kauczuku naturalnego. Celem pracy było zbadanie wpływu ligniny oraz glicerolizatu na wybrane właściwości kompozytów zawierających kauczuk naturalny. Strukturę chemiczną przygotowanych materiałów potwierdzono, wykorzystując analizę spektroskopową w podczerwieni (FTIR). Zbadano również właściwości mechaniczne przy statycznym rozciąganiu, twardość, ścieralność oraz odbojność...
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Validation of dynamic electrochemical impedance spectrograms using autocorrelation function
PublicationValidation of impedance data is essential for checking the reliability of experimental data. Kramers – Kronig transformation is used to verify data obtained from classical Electrochemical Impedance Spectroscopy (EIS) measurements. Data obtained from Dynamic Electrochemical Impedance Spectroscopy (DEIS) could be validated in the same way, but in this case, there is no information about internal consistency between every single spectrum...
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Degradation of protective coatings in steel chimneys of flue gas desulfurisation system
PublicationThis paper presents problems associated with corrosion of steel stacks and changes in philosophy of corrosion protection when implemented into flue gas desulphurization systems. In-situ tests were taken by means of electrochemical impedance spectroscopy at the stack which discharges flue gas before wet lime/limestone desulphurization. A very quick electrolyte absorption by the spherical infill vinylester coating was found using...
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Optical and photocatalytic properties of rare earth metal-modified ZnO quantum dots
PublicationA series of novel ZnO quantum dots modified with rare earth metals was successfully prepared by a simple sol-gel approach. The effects of types (Eu, Er, Tb, Yb, Ho, La) and amounts (from 0.09 to 0.45 mmol) of lanthanides on the optical properties, structural characterization and photocatalytic activity of ZnO/RE QDs were systematically investigated. The X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Fourier transform...
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Scheelite-Type Wide-Bandgap ABO4 Compounds (A = Ca, Sr, and Ba; B = Mo and W) as Potential Photocatalysts for Water Treatment
PublicationIn the present study, alkaline-earth metal scheelite-type compounds ABO4 (A = Ca, Sr, Ba, B = Mo, W) synthesized by a hydrothermal method were systematically studied. The as-obtained photocatalysts were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), Brunauer-Emmett-Teller surface area analysis (BET), UV–Vis diffuse reflectance spectroscopy (DR/UV-Vis), photoluminescence, and thermoluminescence (TL)...
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Incorporation of nitrogen in diamond films - A new way of tuning parameters for optical passive elements
PublicationThis paper investigates the impact of nitrogen incorporation in diamond films for the construction of an interferometric sensor to measure displacement. Diamond films with different nitrogen levels (0–5%) were deposited on silicon substrates by microwave plasma enhanced chemical vapor deposition. The structural characteristics of these samples are characterized using scanning electron microscopy (SEM), atomic force microscopy...
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The influence of azide and imidazole on the properties of Mn- and Cd-based networks: conductivity and nonlinear phenomena
PublicationWe report a study on a family of four new Mn- and Cd-azide-imidazolate-based compounds with various crystal architectures. Notably, three of these compounds display noncentrosymmetric crystal arrangements at room temperature, a rare phenomenon in hybrid organic–inorganic materials. Both nonlinear optical (NLO) and electrical phenomena in these compounds are observed. The NLO processes include second and third harmonic generation,...
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Preparation of platinum modified titanium dioxide nanoparticles with the use of laser ablation in water
PublicationWe report on the preparation method of nanocrystalline titanium dioxide modified with platinum by using nanosecond laser ablation in liquid (LAL). Titania in the form of anatase crystals has been prepared in a two-stage process. Initially, irradiation by laser beam of a titanium metal plate fixed in a glass container filled with deionized water was conducted. After that, the ablation process was continued, with the use of a platinum...
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Optical and electrical properties of ultrathin transparent nanocrystalline boron-doped diamond electrodes
PublicationThe optical properties of ultrathin (less than 100 nm) boron-doped nanocrystalline diamond (B-NCD) film were investigated in a wavelength range of 200 ÷ 20000 nm. The B-NCD refractive index showed values close to that of monocrystalline diamond (n = 2.45) in a broad wavelength range (450 ÷ 4000 nm). A transmittance up to 70% and the average film thickness of 70 nm were achieved. A special cone-shaped shim was used in the deposition...
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Characterization of the c-BN/TiC, Ti3SiC2 systems by element selectivespectroscopy.
PublicationPomimo dużego technologicznego zainteresowania tytanowymi kompozytami bazującymi na c-BN daje się zauważyć wyraźny brak danych dotyczących lokalnego otoczenia atomów Ti w tego typu materiałach. Główna przyczyna tego stanu rzeczy tkwi w trudności związanej z analizą układu wielofazowego o dużej twardości za pomocą konwencjonalnych metod. Praca poświęcona jest analizie składu i struktury tytanowych kompozytów za pomocą atomowo-selektywnych...
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The inhibition effect of mad Honey on corrosion of 2007-type aluminium alloy in 3.5% NaCl solution
PublicationThe inhibition effect of mad honey on corrosion of 2007-type aluminium alloy in 3.5% NaCl solution was investigated by Tafel extrapolarisation (TP), electrochemical impedance spectroscopy (EIS) and dynamic electrochemical impedance spectroscopy (DEIS). All the studied parameters exhibited good anti-corrosive properties against corrosion of 2007-type aluminium alloy in the test solution; the corrosion rates decreased with the increase...
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Red Algae – An Alternative Source of Carbon Material for Energy Storage Application
PublicationNew electrode material obtained by pyrolysis of aquatic biomass macro (red algae) soaked with glucose solution has been characterized by SEM, EDX and Raman spectroscopy. Graphitized carbon was identified by Raman spectroscopy. Galvanostatic cyclic polarization of the materials in contact with 1M LiPF6 electrolyte in EC:DMC (1:1 v/v) and Li as a counter electrode was performed. Specific capacity of the novel material was enhanced...
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New ceramic materials derived from pyrolyzed poly(1,2-dimethylsilazane) and starch as a potential anode for Li-ion batteries
PublicationNewmaterialswere obtained by pyrolysis of starch (S) and poly(1,2-dimethylsilazane) (PSN) (weight ratio: PSN/S 30/70) at temperature a) 500 °C, b) 700 °C and c) 900 °C. Ceramic materials were characterized by infrared spectroscopy, TGA, Raman spectroscopy and SEM. New Si\O and shifted Si\C stretching vibration modes emerged confirming direct interaction between silicon originating fromsilazane and oxygen coming fromstarch. The...
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Experimental and Quantum Chemical Evaluation of 8-Hydroxyquinoline as a Corrosion Inhibitor for Copper in 0.1 M HCl
PublicationThe corrosion inhibition properties of 8-hydroxyquinoline (8-HQ) in 0.1 M HCl for copper have been investigated by using experimental (electrochemical impedance spectroscopy (EIS), dynamic electrochemical impedance spectroscopy (DEIS), and potentiodynamic polarization) and theoretical methods complemented by surface morphological examination with the aid of scanning electron microscopy (SEM) and electron dispersive X-ray spectroscopy...
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Synthesis and characterization of novel renewable polyesters based on 2,5-furandicarboxylic acid and 2,3-butanediol
PublicationNovel polyesters from 2,5-furandicarboxylic acid or 2,5-dimethyl-furandicarboxylate and 2,3-butanediol have been synthesized via bulk polycondensation catalyzed by titanium (IV) n-butoxide, tin (IV) ethylhexanoate, or zirconium (IV) butoxide. The polymers were analyzed by size exclusion chromatography, nuclear magnetic resonance spectroscopy, Fourier transform infrared spectroscopy (FTIR), matrix-assisted laser ionization-desorption...
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Synergistic effect of multi walled carbon nanotubes and reduced graphene oxides in natural rubber for sensing application
PublicationUtilizing the electrical properties of polymer nanocomposites is an important strategy to develop high performance solvent sensors. Here we report the synergistic effect of multi walled carbon nanotubes (MWCNTs) and reduced graphene oxide (RGO) in regulating the sensitivity of the naturally occurring elastomer, natural rubber (NR). Composites were fabricated by dispersing CNTs alone and together with exfoliated RGO sheets (thermally...
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Efficient Method for the Concentration Determination of Fmoc Groups Incorporated in the Core-Shell Materials by Fmoc–Glycine
PublicationIn this paper, we described the synthesis procedure of TiO2@SiO2 core-shell modified with 3-(aminopropyl)trimethoxysilane (APTMS). The chemical attachment of Fmoc–glycine (Fmoc–Gly–OH) at the surface of the core-shell structure was performed to determine the amount of active amino groups on the basis of the amount of Fmoc group calculation. We characterized nanostructures using various methods: transmission electron microscope...
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Synthesis and photoelectrochemical behaviour of hydrogenated titania nanotubes modified with conducting polymer infiltrated by redox active network
PublicationIn this work, we show preparation of ordered inorganic-organic composite electrode material where hydrogenated titania nanotubes H-TiO2 with tubularly developed surface modified with poly(3,4-ethylenedioxythiophene) matrix permeated by Prussian Blue (PB) inorganic redox network in order to reach highly photoactive heterojunction. The polymer deposition was realized via two subsequent processes covering: i) potentiostatic polymerization...
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Short Term Monitor of Photodegradation Processes in Ranitidine Hydrochloride Observed by FTIR and ATR FTIR
PublicationThe effects of degradation of ranitidine hydrochloride exposed to UVB radiation (l = 310 nm) and oxygen in a weathering chamber were studied by Fourier Transform Infrared spectroscopy (FTIR) and Attenuated Total Reflectance Fourier Transform Infrared spectroscopy (ATR-FTIR). ATR-FTIR profile indicated that the degradation was spatially heterogeneous. Significant amounts of photoproducts were detected only in a directly...
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The electronic excited states of dichloromethane in the 5.8-10.8 eV energy range investigated by experimental and theoretical methods
PublicationWe present a comprehensive experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectrum of dichloromethane, CH 2 Cl 2 , with absolute cross sections determined for the full 5.8–10.8 eV energy-range. The calculations on the vertical excitation energies and oscillator strengths were performed using the equation-of-motion coupled cluster method, restricted to the single and double excitations level (EOM-CCSD), and...
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The electronic excited states of dichloromethane in the 5.8-10.8 eV energy range investigated by experimental and theoretical methods
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Theoretical interpretations of photoelectron spectra of platinum atom, its cation and anion
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