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An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor−Acceptor Dye Assisted by Resonance Raman Spectroscopy
PublicationThe excitation energies and gradients in the ground and the first excited state of a novel donor−(π- bridge)−acceptor 4-methoxy-1,3-thiazole-based chromophore were investigated by means of MS-RASPT2/RASSCF and TDDFT in solution. Within both methods, the excitation energies strongly depend on the employed equilibrium structures, whose differences can be rationalized in terms of bond length alternation indexes. It is shown that functionals with...
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Analysis of the image force effects on the recombination at the donor-acceptor interface in organic bulk heterojunction solar cells
PublicationWe consider the influence of image force effects on the recombination at the donor-acceptor interface in organic bulk heterojunction solar cells. The conclusion is that the charge carriers of one sign located in the material with lower permittivity recombine at the boundary between donor and acceptor phases. This process competes with the recombination of opposite sign charge carriers, leading to the reduction of the Langevin-type...
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Currently Commercially Available Chemical Sensors Employed for Detection of Volatile Organic Compounds in Outdoor and Indoor Air
PublicationThe paper presents principle of operation and design of the most popular chemical sensors for measurement of volatile organic compounds (VOCs) in outdoor and indoor air. It describes the sensors for evaluation of explosion risk including pellistors and IR-absorption sensors as well as the sensors for detection of toxic compounds such as electrochemical (amperometric), photoionization and semiconductor with solid electrolyte ones....
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The role of slowly biodegradable organic compounds in a full-scale biological nutrient removal activated sludge systems
PublicationThe aim of this study was to determine the immediate effects of slowly biodegradable substrates on the denitrification capability and phosphate release/uptake interactions for a full-scale biomass process from two large wastewater treatment plants (WWTPs) located in the cities of Gdansk and Gdynia (northern Poland). Since it is hard to distinguish the slowly biodegradable substrate in a direct way, a novel procedure based on batch...
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Metal-Organic Frameworks-Based Sensors for the Detection of Toxins in Food: A Critical Mini-Review on the Applications and Mechanisms
PublicationUsing scientific technologies to detect toxins in food is significant to prevent food safety problems and protect people’s health. Recently, the rise of sensors has made rapid, efficient, and safe detection of food toxins possible. One of the key factors impacting the sensor’s performance is the nanomaterials employed. Metal-organic frameworks (MOFs), with high specific surface area, tunable composition, porous structure, and flexible...
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Assessment of ecotoxicity and total volatile organic compound (TVOC) emissions from food and children's toy products
PublicationThe development of new methods for identifying a broad spectrum of analytes, as well as highly selective tools to provide the most accurate information regarding the processes and relationships in the world, has been an area of interest for researchers for many years. The information obtained with these tools provides valuable data to complement existing knowledge but, above all, to identify and determine previously unknown hazards. Recently,...
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Analysis of Organic Rankine Cycle efficiency and vapor generator heat transfer surface in function of the reduced pressure
PublicationIn the paper presented is analysis of the influence of reduced pressure on efficiency and heat transfer area of vapor generator of Organic Rankine Cycle (ORC) in case of subcritical and supercritical parameters of operation. Compared are two cases of subcritical and supercritical ORC featuring a similar arrangement of heat source supply and heat removal, that is featuring the same temperatures of working fluid before the turbine,...
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Morphology, Thermo-Mechanical Properties and Biodegradibility of PCL/PLA Blends Reactively Compatibilized by Different Organic Peroxides
PublicationReactive blending is a promising approach for the sustainable development of bio-based polymer blends and composites, which currently is gaining more and more attention. In this paper, biodegradable blends based on poly(ε-caprolactone) (PCL) and poly(lactic acid) (PLA) were prepared via reactive blending performed in an internal mixer. The PCL and PLA content varied in a ratio of 70/30 and 55/45. Reactive modification of PCL/PLA...
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Kinetics of the Organic Compounds and Ammonium Nitrogen Electrochemical Oxidation in Landfill Leachates at Boron-Doped Diamond Anodes
PublicationElectrochemical oxidation (EO) of organic compounds and ammonium in the complex matrix of landfill leachates (LLs) was investigated using three different boron-doped diamond electrodes produced on silicon substrate (BDD/Si)(levels of boron doping [B]/[C] = 500, 10,000, and 15,000 ppm—0.5 k; 10 k, and 15 k, respectively) during 8-h tests. The LLs were collected from an old landfill in the Pomerania region (Northern Poland) and were...
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Lanthanide-organic-frameworks modified ZnIn2S4 for boosting hydrogen generation under UV–Vis and visible light
PublicationNovel Ln-MOF with microrods shape were successfully combined with ZnIn2S4 (ZIS) microsphere and used for photocatalytic hydrogen generation under UV–Vis and visible light. The Ln-MOFs/ZIS system comprises lanthanide-carboxylate coordination networks (Tm and Gd as metal ions, and 1,3,5-benzenetricarboxylic acid (BTC) as the organic linker) deposited on ZnIn2S4 microspheres. Effect of the amount of ((Tm,Gd)-BTC) (1, 5, 10 wt%) on...
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Singlet oxygen-dominated peroxymonosulfate activation by layered crednerite for organic pollutants degradation in high salinity wastewater
PublicationAdvanced oxidation processes have been widely studied for organic pollutants treatment in water, but the degradation performance of radical-dominated pathway was severely inhibited by the side reactions between the anions and radicals, especially in high salinity conditions. Here, a singlet oxygen (1O2)-dominated non-radical process was developed for organic pollutants degradation in high salinity wastewater, with layered crednerite...
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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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Photovoltaic effect in the single-junction DBP/PTCBI organic system under low intensity of monochromatic light
PublicationPhotoelectric properties of the planar ITO/MoO3/DBP/PTCBI/BCP/Ag system were characterized on the basis of short-circuit current, open-circuit voltage and absorption spectra, and current-voltage measurements in the dark and under monochromatic illumination of low intensity. Photovoltaic performance of the system was compared with the performance of ideal semiconductor and excitonic cells of chosen bandgaps. Such analysis shows,...
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Persistent organic pollutants (POPs) as an indicator of surface water quality in the vicinity of the Polish Polar Station, Horsund
PublicationSurface waters were collected in the vicinity of the Polish Polar Station in Hornsund (Svalbard) to determine their concentration of various persistent organic pollutants (POPs), such as polycyclic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs). In addition, parameters such as pH, SEC and TOC were measured. In total, 15 samples of lake water from and 15 samples of stream water were analysed. The sampling took...
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Dielectric Barrier Discharge Systems with HV Generators and Discharge Chambers for Surface Treatment and Decontamination of Organic Products
PublicationThe article presents applications of systems with power electronic converters, high voltage transformers, and discharge chambers used for nonthermal, dielectric barrier discharge plasma treatment of a plastic surface and decontamination of organic loose products. In these installations, the inductance of the high voltage transformers and the capacitances of the electrode sets form resonant circuits that are excited by inverters....
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Visible-light-driven lanthanide-organic-frameworks modified TiO2 photocatalysts utilizing up-conversion effect
PublicationHighly efficient and quite stable composite with core-shell-like architecture reported herein, responds to the challenge of sunlight-driven photocatalysts. The Ln(ndc)/TiO2 photocatalytic system comprises active lanthanide-carboxylate coordination networks (Nd, Er, Ho, and Tm as metal ions, and 2,6-naphthalene dicar-boxylic acid as the organic linker) and inert titanium dioxide and allow to convert incompatible visible radiation...
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The Quantum Efficiency Roll-Off Effect in Near-Infrared Organic Electroluminescent Devices with Iridium Complexes Emitters
PublicationThe electroluminescence quantum efficiency roll-off in iridium(III)-based complexes, namely Ir(iqbt)2(dpm) and Ir(iqbt)3(iqbt=1 (benzo[b]thiophen-2-yl)-isoquinolinate, dpm=2,2,6,6-tetramethyl-3,5-heptanedionate) utilized as near-infrared emitters in organic light emitting diodes with remarkable external quantum efficiencies, up to circa 3%, 1.5% and 1%, are measured and analyzed. With a 5–6 weight % of emitters embedded...
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Krystyna Dzierzbicka prof. dr hab. inż.
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Enhanced Photoelectrocatalytical Performance of Inorganic-Inorganic Hybrid Consisting BiVO4, V2O5, and Cobalt Hexacyanocobaltate as a Perspective Photoanode for Water Splitting
PublicationThin layers of BiVO4/V2O5 were prepared on FTO substrates using pulsed laser deposition technique. The method of cobalt hexacyanocobaltate (Cohcc) synthesis on the BiVO4/V2O5 photoanodes consists of cobalt deposition followed by electrochemical oxidation of metallic Co in K3[Co(CN)6] aqueous electrolyte. The modified electrodes were tested as photoanodes for water oxidation under simulated sunlight irradiation. Deposited films...
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Small signal spectra of complex capacitance obtained on organic heterojunction formed from copper phthalocyanine and perylene dye
PublicationPraca przedstawia małosygnałowe widma zespolonej pojemności otrzymane na strukturze z heterozłączem organicznym CuPc/Py-PTC w zakresie 25Hz-1MHz.
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Modelowanie procesów migracji zanieczyszczeń organicznych w środowisku wodnym = Modelling of migration of organic xenobiotics in aquatic environment
PublicationPrzedstawiono zagadnienia związane z modelowaniem migracji związków chemicznych w środowisku. Zamieszczono także sposób konstruowania modeli i przegląd najważniejszych typów modeli migracji wraz z przykładami oraz wyniki, jakie można uzyskać za pomocą poszczególnych grup modeli. W pracy zawarto również podział modeli migracji ze względu na sposób przedstawienia transportu zanieczyszczeń, poziom kompilacji i zakres obszaru modelowania....
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Predicting Value of Binding Constants of Organic Ligands to Beta-Cyclodextrin: Application of MARSplines and Descriptors Encoded in SMILES String
PublicationThe quantitative structure–activity relationship (QSPR) model was formulated to quantify values of the binding constant (lnK) of a series of ligands to beta–cyclodextrin (β-CD). For this purpose, the multivariate adaptive regression splines (MARSplines) methodology was adopted with molecular descriptors derived from the simplified molecular input line entry specification (SMILES) strings. This approach allows discovery of regression...
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Removal of organic compounds from natural underground water in sorption and sono-sorption processes on selected activated carbons
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Response to abiotic and organic substances stimulation belongs to ontologic groups significantly up-regulated in porcine immature oocytes
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Determination of fluoride as fluorosilane derivative using reversed-phase HPLC with UV detection for determination of total organic fluorine
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Large-scale converting waste coffee grounds into functional carbon materials as high-efficient adsorbent for organic dyes
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Fast, solvent-free synthesis of ferrocene-containing organic cages via dynamic covalent chemistry in the solid state
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A field study investigating the potential use of phosphorus combined with organic amendments on cadmium accumulation by wheat and subsequent rice
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Decolorization of organic dyes solution by atmospheric pressure glow discharge system working in a liquid flow-through mode
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TiO2 Modified with Organic Acids for the Decomposition of Chlorfenvinphos under the Influence of Visible Light: Activity, Performance, Adsorption, and Kinetics
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Fluctuation in the organic matter decomposition rate and nitrogen speciation in vegetation and outside vegetation seasons in a hybrid wetland system.
PublicationIlość ścieków doprowadzana do obiektu była mniejsza, a stężenia zanieczyszczeń wyższe w okresie poza wegetacyjnym. Obniżona skuteczność przemian związków azotu w okresie poza wegetacyjnym została potwierdzona przez niższe wartości stałych szybkości reakcji, które wynosiły 60% wartości osiąganych dla okresu wegetacyjnego.
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Automated high-capacity sorption probe for extraction of organic compounds in aqueous samples followed by gas chromatographic analysis.
PublicationOpracowano zautomatyzowany zestaw wyposażony w próbnik o dużej pojemności sorpcyjnej do oznaczania związków śladowych z zastosowaniem chromatografii gazowej. Zestaw łączy prostotę SPME z wysoką wydajnością techniki ekstrakcji z zastosowaniem ruchomego elementu sorpcyjnego (SBSE). Procedura pobierania próbek była przeprowadzana z zastosowaniem podajnika automatycznego. Ze względu na pełną automatyzację zestawu, możliwa jest bezobsługowa...
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Usefulness of separation techniques for identification and determination of Oxygenated Volatile Organic Compounds used in process analytics of water and wastewater
PublicationW pracy przedstawiono przegląd i porównanie metodyk identyfikacji i oznaczania Lotnych Związków Tlenoorganicznych (LZT). Porównano metodyki klasyczne umożliwiające oznaczanie wybranej grupy związków chemicznych należących do LZT lub dokonywanie oznaczeń sumarycznej zawartości z metodykiami wykorzystującymi techniki rozdzielania. Lotne związki tlenoorganicze, do których zaliczane są aldehydy, alkohole, ketony, estry, etery oraz...
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Ionic Liquid Assisted Dissolution of Dissolved Organic Matter and PAHs from Soil Below the Critical Micelle Concentration
PublicationIncreased use and production of ionic liquids (ILs) may result in emissions into the environment. Particularly vulnerable are industrial areas and landfills where ILs are utilized and ultimately disposed of. This study investigates how IL contamination can affect soil properties and the sorption of pre-existing contaminants. The commonly used IL 1-methyl-3-octyl imidazolium chloride ([OMIM][Cl]) was added at various quantities...
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Microbiological, Antioxidant, Nutritional Properties, and Health Safety of Juice from Organic and Conventional Vitis vinifera L. Farming
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Investigation on structural, optical and anti-bacterial properties of organic additives iron oxide prepared by chemical route method
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Organic pollutants photodegradation increment with use of TiO2 nanotubes decorated with transition metals after pulsed laser treatment
PublicationAmong various titanium(IV) oxide (TiO2, titania) structures, 1D nanotubes (TiO2 NTs) produced during the two-electrode anodization process, are extensively utilized in sensors or supercapacitors as well as in photo(electro)catalytic water splitting. However, due to wide bandgap and fast electron-hole recombination additional modifications, mostly concerned on materials surface, are required. According to the recent research, TiO2...
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Singlet oxygen in the removal of organic pollutants: An updated review on the degradation pathways based on mass spectrometry and DFT calculations
PublicationThe degradation of pollutants by a non-radical pathway involving singlet oxygen (1O2) is highly relevant in advanced oxidation processes. Photosensitizers, modified photocatalysts, and activated persulfates can generate highly selective 1O2 in the medium. The selective reaction of 1O2 with organic pollutants results in the evolution of different intermediate products. While these products can be identified using mass spectrometry...
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Separation of Volatile Oxygen-containing Organic Compounds by Gas Chromatography - selectivity comparison of different polarity stationary phases
PublicationThis paper present a results of the separation of 36 reference compounds belonging to the group of Volatile Oxygen-Containing Organic Compounds (OVOCs) using capillary gas chromatography with flame ionization detector (GC-FID) and three stationary phases of different polarity. A selectivity has been studied regarding to OVOCs and n -alkanes. The most useful for the separation of the group OVOCs is a polar ionic liquid stationary...
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Perspectives on the replacement of harmful organic solvents in analytical methodologies: a framework toward the implementation of a generation of eco-friendly alternatives
PublicationVolatile organic solvents derived from non-renewable fossil feedstocks are commonplace in analytical laboratories. In spite of their convenient performance in countless unit operations, their environmental, health and safety issues represent a major area of concern. The progressive replacement of organic solvents obtained from fossil resources by eco-friendly alternatives would involve remarkable advances within the framework of...
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The estimation of total volatile organic compounds emissions generated from peroxide cured natural rubber/polycaprolactone blends
PublicationNatural rubber (NR)/polycaprolactone (PCL) blends at the ratio of 90/10% wt. (NR/PCL90/10) and 70/30% wt. (NR/PCL70/30), with a constant amount of dicumyl peroxide, were prepared by compounding in an internal mixer. Obtained NR/PCL bio-based blends were cured at three different temperatures (150 °C, 160 °C and 170 °C). The total content of volatile organic compounds (TVOC) as a function of the NR/PCL blends ratio, and their curing...
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Dissolved and colloidal organic nitrogen removal from WWTP effluents and reject waters using physical-chemical processes
PublicationFour physical-chemical processes were compared in terms of the efficiencies of dissolved and colloidal organic nitrogen (DON and CON) removal from the secondary effluents (SE) and reject water from full-scale biological nutrient removal activated sludge systems. Adsorption on activated carbon was most efficient and allowed to remove from the SE up to 80% and 100% of DON and CON, respectively. High efficiencies of DON removal from...
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Evaluation of polycaprolactone as a new sorbent coating for determination of polar organic compounds in water samples using membrane–SPME
PublicationCommercially available solid-phase microextraction fibers used for isolation of polar analytes are based on the adsorption phenomenon. In consequence, typical limitations bonded with analytes displacement and matrix effects are very frequent. In the present study, alternative solution is described. Polycaprolactone (PCL) was used for the first time as sorbent to isolate polar organic compounds from water samples using the membrane–solid-phase...
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Headspace Solid-Phase Microextraction Coupled with Gas Chromatography–Mass Spectrometry for the Determination of Volatile Organic Compounds in Urine
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A comparative study of organic pollutants in seawater, sediments and oyster tissues at Hab River Delta, Balochistan coast, Pakistan
PublicationThis chapter is about a Comparative Study of Organic Pollutants in Seawater, Sediments, and Oyster Tissues at Hab River Delta, Balochistan Coast, Pakistan.
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Multivariate Statistical Analysis for Mutual Dependence Assessment of Selected Polyphenols, Organic Acids and Metals in Cool-Climate Wines
PublicationPolyphenols, organic acids and metal ions are an important group of compounds that affect the human health and quality of food and beverage products, including wines. It is known that a specific correlation between these groups exist. While wines coming from the New World and the Old World countries are extensively studied, wines coming from cool-climate countries are rarely discussed in the literature. One of the goals of this...
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Modification of cellulosic filler with diisocyanates – volatile organic compounds emission assessment and stability of chemical structure over time
PublicationThis paper investigated the impact of type and content of diisocyanate on the structure of modified cellulose fillers. Four the most popular isocyanates were applied – isophorone, hexamethylene, toluene and methylene diphenyl diisocyanate – at loadings of 1–15 wt%. Chemical structure, and its short-term storage stability, were investigated for eight weeks. Moreover, the main volatile organic compounds detected during modification,...
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Different design aspects of an Organic Rankine Cycle turbine for electricity production using a geothermal binary power plant
PublicationIn recent years, pressure has been growing to increase the share of renewable energy sources in electricity generation, which may offer opportunities for the development of geothermal energy in regions that have been so far considered unprofitable in this respect. One such country currently undergoing an energy transition is Poland in which low-temperature geothermal resources are currently used for district heating and recreation...
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Highly effective degradation of selected groups of organic compounds by cavitation based AOPs under basic pH conditions
PublicationCavitation has become on the most often applied methods in a number of industrial technologies. In the case of oxidation of organic pollutants occurring in the aqueous medium, cavitation forms the basis of numerous advanced oxidation processes (AOPs). This paper presents the results of investigations on the efficiency of oxidation of the following groups of organic compounds: organosulfur, nitro derivatives of benzene, BTEX, and...
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Synthesis of highly crystalline photocatalysts based on TiO2 and ZnO for the degradation of organic impurities under visible-light irradiation
PublicationA TiO2–ZnO binary oxide system (with molar ratio TiO2:ZnO = 8:2) was synthesized by a hydrothermal method, assisted by calcination at temperatures of 500, 600 and 700 °C, using zinc citrate as the precursor of ZnO. The morphology (SEM, TEM), crystalline structure (XRD, Raman spectroscopy), diffuse reflectance spectra (DRS), chemical surface composition (EDXRF), porous structure parameters (low-temperature N2 sorption) and characteristic...