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Excited state properties of a series of molecular photocatalysts investigated by time dependent density functional theory.
PublikacjaTime dependent density functional theory calculations are applied on a series of molecular photocatalysts of the type [(tbbpy)2M1(tpphz)M2X2]2+ (M1 = Ru, Os; M2 = Pd, Pt; X = Cl, I) in order to provide information concerning the photochemistry occurring upon excitation of the compounds in the visible region. To this aim, the energies, oscillator strengths and orbital characters of the singlet and triplet excited states are investigated....
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Low-frequency noise in ZrS3 van der Waals semiconductor nanoribbons
PublikacjaWe report the results of the investigation of low-frequency electronic noise in ZrS3 van der Waals semiconductor nanoribbons. The test structures were of the back-gated field-effect-transistor type with a normally off n-channel and an on-to-off ratio of up to four orders of magnitude. The current–voltage transfer characteristics revealed significant hysteresis owing to the presence of deep levels. The noise in ZrS3 nanoribbons...
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Photocatalytic activity of nitrogen doped TiO2 nanotubes prepared by anodic oxidation: The effect of applied voltage, anodization time and amount of nitrogen dopant
PublikacjaNitrogen doped TiO2 nanotube arrays were prepared by anodizing Ti foils in an organic electrolyte containing specified amounts of urea as nitrogen precursor. The photocatalytic activity of the samples was evaluated by analyzing the degradation kinetics of phenol in water. The influence of tubes’ length, tubes’ surface morphology and amount of nitrogen in the TiO2 lattice on hydroxyl radical formation efficiency, photocatalytic...
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Electrical properties of organic and perovskite systems used in solar cells
PublikacjaNowadays, a great progress in the areas of molecular and hybrid photovoltaics is observed. The devices based on organic and perovskite materials are getting attention mostly due to their low cost production process. However, their efficiency and stability are still lower than for inorganic materials which make them less popular. Therefore, a detailed understanding of the device physics is fundamental for organic and perovskite...
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Photovoltaic phenomena in devices with perfluorozincphthalocyanine layer
PublikacjaThe course of photovoltaic phenomenon in organic photovoltaic cells utilizing thin layers of perfluorozincphthalocyanine was studied in few single and planar bilayer configurations. Mechanisms of photogeneration and recombination of free charge carriers were determined and active interfaces were localized. In case of single layer cells these interfaces were located at the front electrode/F16ZnPc junctions, whereas photogeneration...
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Flow Process Models for Pipeline Diagnosis
PublikacjaThis chapter examines the problem of modeling and parameterization of the transmission pipeline flow process. First, the base model for discrete time is presented, which is a reference for other developed models. Then, the diagonal approximation (AMDA) method is proposed, in which the tridiagonal sub-matrices of the recombination matrix are approximated by their diagonal counterparts, which allows for a simple determination of...
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Effect of Different Bromine Sources on the Dual Cation Mixed Halide Perovskite Solar Cells
PublikacjaRecent research has shown that perovskite solar cells with a mixed dual A-cation have much better structural stability without loss of efficiency than single cation devices. Mixed cation perovskites create a lot of questions about the salts being used for the formation of the best-quality layer. Here, we have investigated three sources of bromide in the perovskite absorption layer, using lead bromide (PbBr2), formamidinium bromide...
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Mono- and bi-metallic plasmonic photocatalysts for degradation of organic compounds under UV and visible light irradiation
PublikacjaTitania powders were surface modified with gold and/or silver nanoparticles (NPs) by photodeposition method. Gold modified titania exhibited much higher photocatalytic activity during methanol dehydrogenation under UV irradiation than titania modified with monometallic silver and bimetallic Au–Ag NPs. Bimetallic photocatalysts exhibited either enhanced or reduced visible light activity, depending on properties of noble metal NPs,...
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Progress, Challenge, and Perspective of Bimetallic TiO2-Based Photocatalysts
PublikacjaBimetallic TiO2-based photocatalysts have attracted considerable attention in recent years as a class of highly active catalysts and photocatalysts under both UV and Vis light irradiation. Bimetallic noble metal structures deposited on TiO2 possess the ability to absorb visible light, in a wide wavelength range (broad LSPR peak), and therefore reveal the highest level of activity as a result of utilization of a large amount of...
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Stabilization of N-, N,N-, N,N'-Methylated and Unsubstituted Simple Amidine Salts by Multifurcated Hydrogen Bonds
PublikacjaIn the light of the usefulness of amidines in medicinal chem., this paper considers the effects on biol. properties and chem. reactivities of org. mols. affected by intramol. interactions. The study of chem. shifts has been an important source of information on the electronic structure of amidine salts and their ability to form non-covalent bonds with nucleic acids. The NMR and IR results demonstrate that hydrogen bonds are...
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Understanding the Dominant Physics Mechanisms on the p-i-n Perovskite Solar Cells Fabricated by Scalable Slot-Die Coating Process in Ambient Air
PublikacjaPerovskite solar cells (PSC) are emerging technologies that have shown continuous improvement in power conversion efficiency (PCE) and stability. However, a very important aspect that has been seldom considered is the reproducibility of PCE of PSC devices. It is possible to achieve PCE from 10.21% to 17.05% using scalable slot-die-coating technique. However, a spatial distribution of performance is clearly observed for device samples...
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Silver-modified titania with enhanced photocatalytic and antimicrobial properties under UV and visible light irradiation
PublikacjaCommercial titania photocatalysts were modified with 2 wt% of silver by photodeposition. The properties of the samples were characterized by DRS, XPS, XRD, FE-SEM and STEM. The modified samples exhibited activity under visible light and enhanced activity under UV irradiation for 2-propanol and acetic acid oxidation, respectively. The time-resolved microwave conductivity (TRMC) analysis indicated that enhanced activity (2.5–8-fold...
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Modification of Titanium (IV) Dioxide with Small Silver Nanoparticles: Application in Photocatalysis
PublikacjaThe surface of commercial TiO2 compounds (P25 and ST01) has been modified with Ag nanoparticles induced by radiolysis. On P25, the Ag nanoclusters are very small (1−2 nm) and homogeneous in size while on ST01, two populations of nanoparticles are obtained, small nanoparticles (1−2 nm) and larger ones (mean diameter 7 to 12 nm depending on the silver loading). The photocatalytic properties of Ag-modified TiO2 have been studied for...
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Experimental and DFT insights into an eco-friendly photocatalytic system toward environmental remediation and hydrogen generation based on AgInS2 quantum dots embedded on Bi2WO6
PublikacjaBismuth tungstate (Bi2WO6) can work as a photocatalyst but suffers from rapid recombination of photogenerated charge carriers. Herein, density functional theory (DFT) simulations revealed that the formation of a thermodynamically stable AgInS2(112)/Bi2WO6(010) heterojunction could promote charge separation and enhance the photoactivity of Bi2WO6. To confirm these theoretical predictions, a new type of photocatalysts in the form...
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Geminate-pair dissociation yield in systems with exponential energetic disorder — A Monte Carlo study
PublikacjaGeminate electron–hole recombination in systems with exponential energetic disorder is studied by Monte Carlo method. The field and temperature dependencies of geminate-pair dissociation probability are calculated. It is established that the dissociation yield of carrier pairs depends mainly on the extent of carrier thermalization, which influences the Einstein relationship. The approximate limiting temperature is given by Te =...
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Annealing Rate as a Crucial Parameter Controlling the Photoelectrochemical Properties of AuCu Mosaic Core–Shell Nanoparticles
PublikacjaThermal processing is an essential step during the synthesis of various metal nanostructures and for tailoring their morphology, optical, and electrochemical properties. Herein, a profound impact of the annealing rate and time on photoactivity of gold–copper nanostructures by changes in the position and alignment of energy levels and surface states is reported. AuCu nanoparticles (NPs) are fabricated by sputtering of thin metal...
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Photocatalytic and Antimicrobial Properties of Ag2O/TiO2 Heterojunction
PublikacjaAg2O/TiO2 heterojunctions were prepared by a simple method, i.e., the grinding of argentous oxide with six different titania photocatalysts. The physicochemical properties of the obtained photocatalysts were characterized by diffuse-reflectance spectroscopy (DRS), X-ray powder diffraction (XRD) and scanning transmission electron microscopy (STEM) with an energy dispersive X-ray spectroscopy (EDS). The photocatalytic activity was...
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Magnetic field effects in dye-sensitized and organic solar cells
PublikacjaThe charge recombination and exciton dissociation are generally recognized as the basic electronic processes limiting the efficiency of photovoltaic devices. The aim of this thesis is to understand the electronic processes limiting the operation of efficient solar cells with particular emphasis on the role of electronic states endowed with magnetic dipole moment. The research work is divided into two parts. The first part deals...
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Conservation and diversity of MutS proteins
PublikacjaThe homologues of MutS, mismatch repair protein, exist in all prokaryotes, with the exception of Actinobacteria, Mollicutes and part of the Archaea. Multiple alignments of 316 MutS amino acid sequences from 169 species revealed conserved residues and sequence motifs distinguishing MutS homologues. All MutS homologues show high conservation within the ATPase domain. MutS1, the homologue responsible for DNA mismatch recognition,...
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Laser-Induced Graphitization of Polydopamine on Titania Nanotubes
PublikacjaSince the discovery of laser-induced graphite/graphene, there has been a notable surge of scientific interest in advancing diverse methodologies for their synthesis and applications. This study focuses on the utilization of a pulsed Nd:YAG laser to achieve graphitization of polydopamine (PDA) deposited on the surface of titania nanotubes. The partial graphitization is corroborated through Raman and XPS spectroscopies and supported...
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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
PublikacjaThis 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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Reclaimed rubber in-situ grafted with soybean oil as a novel green reactive plasticizer in SBR/silica compounds
PublikacjaPolymer recycling and biodegradable polymeric materials are two major routes towards the sustainable development of polymer materials which contributes to the management of waste. In this regard, an eco-friendly approach is presented wherein high reclaiming degree of ground tire rubber (GTR) was achieved by low-temperature oxidation under swollen action of soybean oil. In-situ reclaimed GTR with soybean oil was cured into reactive...
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Novel nitrogen precursors for electrochemically driven doping of titania nanotubes exhibiting enhanced photoactivity
PublikacjaNitrogen doped titania nanotubes were successfully sensitized by electrochemical method, i.e. as-anodized titania was immersed in different amine (diethyleneamine-DETA, triethyleneamine-TEA, ethylenediamine-EDA) and urea (U) solution and a constant potential was applied. The highly ordered morphology of fabricated N-TiO2 was investigated by using scanning electron microscopy. Spectroscopic techniques, i.e. UV-Vis spectroscopy,...
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Unravelling the role of electron–hole pair spin in exciton dissociation in squaraine-based organic solar cells by magneto-photocurrent measurements
PublikacjaA high absorption coefficient and narrow absorption bands in squaraine (SQ) dyes have resulted in rapidly growing interest in them as a donor material in photovoltaic devices. The exciton dissociation process in organic systems proceeds via a multistep mechanism where the electron–hole pairs (charge transfer states) involved in the current generation process determine the recombination losses and subsequently limit the overall...
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Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Ab Initio Molecular Dynamics
PublikacjaCRISPR-Cas9 is a cutting-edge genome editing technology, which uses the endonuclease Cas9 to introduce mutations at desired sites of the genome. This revolutionary tool is promising to treat a myriad of human genetic diseases. Nevertheless, the molecular basis of DNA cleavage, which is a fundamental step for genome editing, has not been established. Here, quantum–classical molecular dynamics (MD) and free energy methods are used...
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Photocatalytically Active TiO2/Ag2O Nanotube Arrays Interlaced with Silver Nanoparticles Obtained from the One-Step Anodic Oxidation of Ti–Ag Alloys
PublikacjaThe development of a photocatalyst with remarkable activity to degrade pollutants in aqueous and gas phase requires visible lightresponsive stable materials, easily organized in the form of a thin layer (to exclude the highly expensive separation step). In this work, we present a one-step strategy for synthesizing material in the form of a self-organized TiO2/Ag2O nanotube (NT) array interlaced with silver nanoparticles (as in a...
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Facile formation of self-organized TiO2 nanotubes in electrolyte containing ionic liquid - ethylammonium nitrate and their remarkable photocatalytic properties
PublikacjaThe oriented TiO2 nanotube arrays (NTs) are identified as a stable, active and recyclable photocatalytic surface. However, their photoactivity is strictly depended on morphology (especially length), which could be controlled by anodic oxidation parameters, including electrolyte properties. To control the morphology, were successfully synthesized a series of NTs by a novel approach where ionic liquid (IL), ethylammonium nitrate...
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Exploring the interfacial effects at the ETL/perovskite boundary in the semitransparent perovskite solar cells
PublikacjaThe recent focus has been made on the perovskite solar cells (PSCs) with an inverted configuration, where substantial improvements have been already achieved. However, the p–i–n structure needs a buffer layer for most of the configurations to modify the work-function of a deposited electrode. Additionally and very importantly, such a layer can also serve as a protective film that improves a stability of solar cells. Here, we study...
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Identification and characterization of single-stranded DNA-binding protein from the facultative psychrophilic bacteria Pseudoalteromonas haloplanktis
PublikacjaSingle-stranded DNA-binding protein (SSB) plays an important role in DNA metabolism such as DNAreplication, repair, and recombination, and is essential for cell survival. This study reports on the ssb-likegene cloning, gene expression and characterization of a single-stranded DNA-binding protein of Pseudoal-teromonas haloplanktis (PhaSSB) and is the first report of such a protein from psychrophilic microorganism.PhaSSB possesses...
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On the mechanism of photocatalytic reactions on CuxO@TiO2 core–shell photocatalysts
PublikacjaTitania (titanium(IV) oxide) is a highly active, stable, cheap and abundant photocatalyst, and is thus commonly applied in various environmental applications. However, two main shortcomings of titania, i.e., charge carrier recombination and inactivity under visible-light (vis) irradiation, should be overcome for widespread commercialization. Accordingly, titania has been doped, surface modified and coupled with various ions/compounds,...
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Insight into (Electro)magnetic Interactions within Facet-Engineered BaFe12O19/TiO2 Magnetic Photocatalysts
PublikacjaA series of facet-engineered TiO2/BaFe12O19 composites were synthesized through hydrothermal growth of both phases and subsequent deposition of the different, faceted TiO2 nanoparticles onto BaFe12O19 microplates. The well-defined geometry of the composite and uniaxial magnetic anisotropy of the ferrite allowed alternate interfaces between both phases and fixed the orientation between the TiO2 crystal structure and the remanent...
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Characterization of single-stranded DNA-binding proteins from the psychrophilic bacteria Desulfotalea psychrophila, Flavobacterium psychrophilum, Psychrobacter arcticus, Psychrobacter cryohalolentis, Psychromonas ingrahamii, Psychroflexus torquis, and Photobacterium profundum
PublikacjaBackground: Single-stranded DNA-binding proteins (SSBs) play essential roles in DNA replication, recombination and repair in Bacteria, Archaea and Eukarya. In recent years, there has been an increasing interest in SSBs, since they find numerous applications in diverse molecular biology and analytical methods. Results: We report the characterization of single-stranded DNA-binding proteins from the psychrophilic bacteria Desulfotalea...
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Organic pollutants photodegradation increment with use of TiO2 nanotubes decorated with transition metals after pulsed laser treatment
PublikacjaAmong 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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Solar light driven degradation of norfloxacin using as-synthesized Bi 3+ and Fe 2+ co-doped ZnO with the addition of HSO 5 – : Toxicities and degradation pathways investigation
PublikacjaIn this study, solar light responsive Bi3+ and Fe2+ doped ZnO were synthesized and used for photocatalytic degradation of norfloxacin (NOR), an emerging water pollutant. Analysis with Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), selected area electron...
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TiO2 /SrTiO3 and SrTiO3 microspheres decorated with Rh, Ru or Pt nanoparticles: Highly UV–vis responsible photoactivity and mechanism
PublikacjaA series of TiO2/SrTiO3 and SrTiO3 microspheres decorated by Rh, Ru or Pt NPs were prepared by facile hydrothermal method. The as-prepared samples were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM) with energy-dispersive Xray (EDX) spectroscopy, scanning electron microscopy (SEM), photoluminescence spectrometry (PL), Fourier transform infrared (FT-IR) and...
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PREPARATION AND CHARACTERIZATION OF CoFe2O4/TiO2-PANI HYBRID NANOCOMPOSITE WITH MAGNETIC AND PHOYOCATALYTIC ACTIVITY
PublikacjaHybrid nanocomposites consisting of inorganic component and organic conducting polymer are promising materials, which can be applied in heterogeneous photocatalysis. Titanium(IV) oxide is widely used photocatalysts due to its non-toxicity, low cost and chemical stability. The main disadvantage of TiO2 is low photocatalytic activity under visible light. Conducting polymers, also known as conjugated polymers are polymer materials...
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Numerical Issues and Approximated Models for the Diagnosis of Transmission Pipelines
PublikacjaThe chapter concerns numerical issues encountered when the pipeline flow process is modeled as a discrete-time state-space model. In particular, issues related to computational complexity and computability are discussed, i.e., simulation feasibility which is connected to the notions of singularity and stability of the model. These properties are critical if a diagnostic system is based on a discrete mathematical model of the flow...
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MutS3: a MutS homologue of unknown biological function
PublikacjaThe homologues of MutS proteins are widespread among both Prokaryotes and Eukaryotes. MutS designated as MutS1 is a part of MMR (mismatch repair) system which is responsible for removal of mispaired bases and small insertion/deletion loops in DNA. Initially, the only MutS homologues known were those engaged in mismatch repair and these were later designated as MutS1. Subsequently, the MutS2 homologue was distinguished. MutS2 does...
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Characterization of single-stranded DNA-binding proteins from the psychrophilic bacteria
PublikacjaSingle-stranded DNA-binding proteins (SSBs) are indispensable elements in the cells of all living organisms. SSB proteins interact with ssDNA insequence in an independent manner, preventing them from forming secondary structures and from degradation by nucleases. In this way, SSB-binding proteins participate in all processes involving ssDNA, such as replication, repair and recombination. Although there are differences in amino...
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Novel DNA-binding protein from Nanoarchaeum equitans Kin4-M binds all kinds of nucleic acids
PublikacjaNanoarchaeum equitans is the only known representative of Archaea phylum Nanoarchaeota and stands out as one of the tiniest known living organism. What is more it has smallest genome, which is only 490.885 base pairs long. It is also one of the most compact genomes. According to predictions about 95% of the DNA encodes proteins or stable RNA. Nanoarchaeum equitans lacks genes for most vital metabolic pathways including lipid, cofactor,...
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Optical photoluminescent, and electroluminescent properties of organic solids
PublikacjaThis chapter discusses optical, photoluminescence and electroluminescence properties of organic materials. First, the spectral features of individual molecules and molecular solid states are analysed. Next, the excitonic processes in organic materials are discussed. The chapter reviews experimental methods leading to the determination of basic excitonic parameters. Finally, the electroluminescence phenomena in organic materials...