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Effect of the Catalytic Center on the Electron Transfer Dynamics in Hydrogen-Evolving Ruthenium-Based Photocatalysts Investigated by Theoretical Calculations
PublikacjaThe light-induced relaxation pathways in the molecular photocatalyst [(tbbpy)2Ru(tpphz)PtCl2]2+ are investigated with time-dependent density functional theory calculations together with the Marcus theory of electron transfer (ET). The calculations show that metal (Ru) to ligand (tpphz) charge transfer (MLCT) triplet states are populated following an excitation in the longer wavelength range of the absorption spectrum, but that an...
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Properties of Charge Carrier Traps in Lu2O3:Tb,Hf Ceramic Storage Phosphors Observed by High-Pressure Spectroscopy and Photoconductivity
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Energy Level Structure of Bi3+ in Zircon and Scheelite Polymorphs of YVO4
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Synergetic effect-triggered performance promotion of Sr3−xBaxP5N10Cl:Eu2+ phosphors
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Luminescence Spectra of β-SiAlON/Pr3+ Under High Hydrostatic Pressure
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Thermal stabilization and energy transfer in narrow-band red-emitting Sr[(Mg2Al2)1−y(Li2Si2)yN4]:Eu2+phosphors
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Dual-emission Eu-doped Ca2−xSrxPN3 nitridophosphate phosphors prepared by hot isostatic press
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Ultra-high-efficiency near-infrared Ga2O3:Cr3+ phosphor and controlling of phytochrome
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Antibiotic loaded microspheres as antimicrobial delivery systems for medical applications
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Surface Site Modulations by Conjugated Organic Molecules To Enhance Visible Light Activity of ZnO Nanostructures in Photocatalytic Water Splitting
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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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Ternary Bismuthide SrPtBi2: Computation and Experiment in Synergism to Explore Solid-State Materials
PublikacjaA combination of theoretical calculation and the experimental synthesis to explore the new ternary compound is demonstrated in the Sr–Pt–Bi system. Because Pt–Bi is considered as a new critical charge-transfer pair for superconductivity, it inspired us to investigate the Sr–Pt–Bi system. With a thorough calculation of all the known stable/metastable compounds in the Sr–Pt–Bi system and crystal structure predictions, the thermodynamic...
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Local Dye Concentration and Spectroscopic Properties of Monomer−Aggregate Systems in Hybrid Porous Nanolayers
PublikacjaAnalysis of absorption, fluorescence, and time-resolved emission spectra of rhodamine 6G in hybrid porous nanolayers at high dye concentration allowed identification of two fluorescent species: monomers and fluorescent aggregates. The method of determination of mean local concentration of aggregates in matrices is proposed based on the energy transfer process between monomers and fluorescent aggregates. Evaluation of aggregate...
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Synthesis, Growth Mechanism, and Electrochemical Properties of Hollow Mesoporous Carbon Spheres with Controlled Diameter
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Facile Deposition of Pd Nanoparticles on Carbon Nanotube Microparticles and Their Catalytic Activity for Suzuki Coupling Reactions
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Catalytic Carbonization of Chlorinated Poly(vinyl chloride) Microfibers into Carbon Microfibers with High Performance in the Photodegradation of Congo Red
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Photocatalytic Activity of TiO2 Modified with Hexafluorometallates—Fine Tuning of Redox Properties by Redox-Innocent Anions
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Spectroscopic and Spectroelectrochemical Studies on Redox Properties of Zinc Sulfide and Their Consequences on Photocatalytic Activity
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Self-Sensitized Photocatalytic Degradation of Colorless Organic Pollutants Attached to Rutile Nanorods—Experimental and Theoretical DFT+D Studies
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Manipulating Electrical Properties of Nanopatterned Double-Barrier Schottky Junctions in Ti/TiOx/Fe Systems
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How the “Liquid Drop” Approach Could Be Efficiently Applied for Quantitative Structure–Property Relationship Modeling of Nanofluids
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Characteristics of hybrid chitosan/phospholipid-sterol, peptide coatings on plasma activated PEEK polymer
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Effect of UV radiation and chitosan coating on the adsorption-photocatalytic activity of TiO2 particles
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Efficient synthesis of PMMA@Co0.5Ni0.5Fe2O4 organic-inorganic hybrids containing hyamine 1622 – Physicochemical properties, cytotoxic assessment and antimicrobial activity
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Inert gas condensation made bimetallic FeCu nanoparticles - plasmonic response and magnetic ordering
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In vivo and in vitro study of a novel nanohydroxyapatite sonocoated scaffolds for enhanced bone regeneration
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Standard and Fast Selective Catalytic Reduction of NO with NH3on Zeolites Fe-BEA
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Photocatalysis Involving a Visible Light-Induced Hole Injection in a Chromate(VI)–TiO2 System
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Surface phenomena in discotic liquid crystals investigated using polarized FTIR transmission spectroscopy
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Doping-Induced Immobile Charge Carriers in Polyazomethine: A Spectroscopic Study
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New D−π–D−π–A Systems Based on Phenothiazine Derivatives with Imidazole Structures for Photovoltaics
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Dyes based on the D/A-acetylene linker-phenothiazine system for developing efficient dye-sensitized solar cells
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Effect of carbonate substitution on physicochemical and biological properties of silver containing hydroxyapatites
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Self-assemblies of novel magnesium porphyrins mimicking natural chlorosomal bacteriochlorophylls
PublikacjaSelf-assembling porphyrins are promising materials to mimic natural bacteriochlorophylls c, d, or e encountered in the chlorosomes of photosynthetic bacteria. We have studied four novel magnesium porphyrins mimicking this chlorosomal antenna system. In contrast to previous articles reporting synthetic Zn-porphyrins, our studies focus on porphyrins with Mg as the central atom, which mimic more closely the natural bacteriochlorophylls....
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Photosensitization of TiO2 and SnO2 by Artificial Self-Assembling Mimics of the Natural Chlorosomal Bacteriochlorophylls
PublikacjaOf all known photosynthetic organisms, the green sulfur bacteria are able to survive under the lowest illumination conditions due to highly efficient photon management and exciton transport enabled by their special organelles, the chlorosomes, which consist mainly of self-assembled bacteriochlorophyll c, d, or e molecules. A challenging task is to mimic the principle of self-assembling chromophores in artificial light-harvesting...
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Determination of Local Dye Concentration in Hybrid Porous Silica Thin Films
PublikacjaThe idea of determination of local dye concentration in a nanoporous matrix is proposed based on donor − acceptor energy transfer. The method was tested for a Rhodamine 110 − Rhodamine 101 system in silica and methylated silica nanolayers. Evaluation of acceptor (Rhodamine 101) local concentration was carried out by comparing the results of Monte Carlo simulation of energy transfer from donor (Rhodamine 110) to acceptor (Rhodamine...
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Redox State Sensitive Spectroscopy of the Model Compound [(H-dcbpy)(2)Ru-II(NCS)(2)](2-) (dcbpy=2,2 '-Bipyridine-4,4 '-dicarboxylato)
PublikacjaThe charge transfer reaction mechanism in a ruthenium polypyridine model complex with isothiocyanato ligands, i.e., [(H-dcbpy)(2)Ru(NCS)(2)](2-) 2Bu(4)N(+) (Ru2H) (dcbpy = 2,2'-bipyridine-4,4'-dicarboxylato), has been investigated by combining UV-vis absorption, resonance Raman spectroscopy, and electrochemical methods. Understanding the photophysics of light-harvesting complexes of this class is an indispensable prerequisite to...
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A low-band gap, nitrogen-modified titania visible-light photocatalyst
PublikacjaFotokatalizatory tlenku tytanu(IV) zmodyfikowanego azotem zostały zsyntetyzowane poprzez ogrzewanie wodorotlenku tytanu i mocznika w temperaturze 400ºC. Otrzymane fotokatalizatory charakteryzują się silną absorpcją w zakresie promieniowania widzialnego (400-500 nm) odznaczając się niskimi wartościami energii pasma wzbronionego (2,20 i 2,46 eV). Aktywność fotokatalityczną w świetle widzialnym potwierdzono przeprowadzając reakcję...
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Modification of titanium dioxide with platinum ions and clusters: application in photocatalysis
PublikacjaW celu polepszenia właściwości fotokatalitycznych, TiO2 (komercyjny-P25 oraz syntezowany metoda zol-żel) był domieszkowany za pomocą jonów lub klasterów [Pt3(CO)6]62- platyny. Własności fizyczne fotokatalizatorów były badane za pomocą elektronowego mikroskopu transmisyjnego (TEM), dyfraktometru rentgenowskiego (XRD) oraz analizatora powierzchni właściwej (BET). Dyfuzyjna spektrometria odbiciowa (DRS) została zastosowana w celu...
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Extracellular biosynthesis of cobalt ferrite nanoparticles by Monascus purpureus and their antioxidant, anticancer and antimicrobial activities: Yield enhancement by gamma irradiation
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Study of Phase Transformation Processes Occurring in the Nanocrystalline Iron/Ammonia/Hydrogen System by the Magnetic Permeability Measurement Method
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Novel biocatalytic systems for maintaining the nucleotide balance based on adenylate kinase immobilized on carbon nanostructures
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Dynamics of Organic Cations in Switchable Quinuclidinium Metal Chloride Dielectrics
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Tracking of the Multimodal Ordering Process in FePd Alloy
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Band Gap Engineering toward Semimetallic Character of Quinone-Rich Polydopamine
PublikacjaSemiconductor|melanin interfaces have received increasingly more attention in the fields of photocatalysis and applied electrochemistry because of their facile synthesis, unique electrical properties, and strong capability toward photosensitization. In this work, we describe the electropolymerization of quinone-rich polydopamine (PDA) on the surface of hydrogenated TiO2 nanotubes with enhanced photoactivity in the visible spectrum....
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Charge Transport in High-Entropy Oxides
PublikacjaThis work presents the results of research on the transport properties of the high-entropy BaZr1/8Hf1/8Sn1/8Ti1/8Y1/8In1/8Sm1/8Yb1/8O3–x perovskite oxide with special focus on proton transport. The presented study is part of broader work in which we focus on multiple different chemical compositions with the cation number varying from 5 up to 12 (in B-sublattice). The presence of proton defects is analyzed with thermogravimetry,...
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Superconductivity in Bismuth Pyrochlore Lattice Compounds RbBi2 and CsBi2: The Role of Relativistic Effects
PublikacjaSuperconducting properties of two bismuthide intermetallic compounds, RbBi2 and CsBi2, were studied by means of experimental measurements and ab initio calculations. We show that in both compounds, the superconductivity emerges from the pyrochlore Bi lattice and its formation is heavily influenced by relativistic effects. Based on our analysis of the effect of spin–orbit coupling on the electron–phonon coupling, we suggest a possible...
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Properties of Oxygen Vacancy and Hydrogen Interstitial Defects in Strontium Titanate: DFT + Ud,p Calculations
PublikacjaThis 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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Integrated Experimental and Theoretical Approach for Efficient Design and Synthesis of Gold-Based Double Halide Perovskites
PublikacjaApplied cutting-edge electronic structure and phonon simulations provide a reliable knowledge about the stability of perovskite structures and their electronic properties, which are crucial for design of effective nanomaterials. Gold is one of the exceptional elements, which can exist both as a monovalent and a trivalent ion in the B site of a double perovskite such as A2BI BIIIX6. However, until now, electronic properties of Cs2AuI AuIIIX6...
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Texture or Linker? Competitive Patterning of Receptor Assembly toward Ultra-Sensitive Impedimetric Detection of Viral Species at Gold-Nanotextured Titanium Surfaces
PublikacjaIn this work, we study the electrodes with a periodic matrix of gold particles pattered by titanium dimples and modified by 3-mercaptopropionic acid (MPA) followed by CD147 receptor grafting for specific impedimetric detection of SARS-CoV-2 viral spike proteins. The synergistic DFT and MM/MD modeling revealed that MPA adsorption geometries on the Au–Ti surface have preferential and stronger binding patterns through the carboxyl...