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Wyniki wyszukiwania dla: QUANTUM SPIN LIQUIDS
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Interactions between hydration spheres of two different solutes in solution: The least squares fitting with constraints as a tool to determine water properties in ternary systems
PublikacjaBiological systems are complex and the problem of their description lies in mutual interactions between their components. This paper is focused on model experiment-based studies which can reduce these difficulties. The ternary aqueous N-methylacetamide (NMA)–Na2HPO4 system has been studied by means of the FTIR spectroscopy. A novel difference spectra method aimed to extract the spectral contribution of water affected simultaneously...
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Extractive detoxification of feedstocks for the production of biofuels using new hydrophobic deep eutectic solvents – Experimental and theoretical studies
PublikacjaThe paper presents a synthesis of novel hydrophobic deep eutectic solvents (DESs) composed of natural components, which were used for removal of furfural (FF) and 5-hydroxymethylfurfural (HMF) from lignocellulosic hydrolysates. The main physicochemical properties of DESs were determined, followed by explanation of the DES formation mechanism, using 1H NMR, 13C NMR and FT-IR analysis and density functional theory (DFT). The most...
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Simultaneous voltammetric determination of Cd2+, Pb2+, and Cu2+ ions captured by Fe3O4@SiO2 core-shell nanostructures of various outer amino chain length
PublikacjaIn the present study, we examined a novel functionalised magnetic nanoparticles Fe3O4@SiO2-Nn as a nano adsorbent for binding of Cd2+, Pb2+, Cu2+ ions in an aqueous solution. First, we obtained the nanoparticles functionalised with various carbon chains containing different number of amino groups: (3-amino)propyltriethoxysilane (Fe3O4@SiO2-N1), N-(2-aminoethyl)-3-aminopropyltrimethoxysilane (Fe3O4@SiO2-N2) and N1-(3-trimethoxysilylpropyl)diethylenetriamine...
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Interfacial water controls the process of adsorption of hyperactive antifreeze proteins onto the ice surface
PublikacjaA mechanism of interactions between the ice-binding surface of a hyperactive antifreeze protein molecule and the ice surface is proposed, involving the influence of water present between the two surfaces on the behavior of the approaching molecule. It is demonstrated that the interfacial water, even before its full solidification, can act as a factor that pushes away or pulls nearer the protein molecule to ensure its proper positioning....
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Investigation of tetrabutylammonium bromide-glycerol-based deep eutectic solvents and their mixtures with water by spectroscopic techniques
PublikacjaDeep eutectic solvents (DES) are formed by an acceptor and a donor of hydrogen bonds. They are generally considered as a possible alternative to hazardous organic solvents in various fields. Very recently they have also appeared in analytical chemistry, used mainly for the separation of analytes before instrumental quantification. For the development of new extraction procedures, it is important, among other things, to understand...
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Novel “acid tuned” deep eutectic solvents based on protonated L-proline
PublikacjaThe paper presents new types of deep eutectic solvents (DESs) based on L-proline protonated using three different acids (hydrochloric, sulfuric and phosphoric)and playing the role of a hydrogen bond acceptor(HBA). Glucose and xylitol were used as hydrogen bond donors (HBD). A series of deep eutectic solvents with various mole ratios were obtained for the systems L-proline: glucose and L-proline: xylitol. Density, melting point,...
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Deep eutectic solvents based assay for extraction and determination of zinc in fish and eel samples using FAAS
PublikacjaA new assay based on effective (high recovery) extraction by means of deep eutectic solvents (DESs) was developed for ppb level determination of zinc in fishes and eel samples. Choline chloride and Phenol in a 1:2 M ratio was selected as optimal DES-based extraction solvent. 8-Hydroxy quinoline was used as a chelating agent for zinc ions. The optimized conditions were found at pH value of 8, ligand concentration of 10 mg/L, THF...
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Solvent dependency of carbon dioxide Henry's constant in aqueous solutions of choline chloride-ethylene glycol based deep eutectic solvent
PublikacjaThe Henry's constants of carbon dioxide absorbed in aqueous solutions of ethaline (choline chloride-ethylene glycol) were determined for temperatures ranging from 303.15 to 323.15 K based on solubility measurement at CO2 pressure ranging from 0 to 6 bar (0.6 MPa). These studies revealed that the Henry's constant increased with the increase of temperature. Data indicated the highest capacity of CO2 absorption is obtained for ethaline...
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Effect of choline chloride based natural deep eutectic solvents on aqueous solubility and thermodynamic properties of acetaminophen
PublikacjaIn this work, natural deep eutectic solvents (NADESs) containing choline chloride as hydrogen bond acceptor and 1,2-propanediol, malic acid and tartaric acid as hydrogen bond donors have been synthesized and applied to enhance the aqueous solubility of model sparingly water-soluble drug – acetaminophen. The results indicate that the greatest impact on the solubility of acetaminophen have deep eutectic solvents based on 1,2-propanediol...
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Effect of urea and glycine betaine on the hydration sphere of model molecules for the surface features of proteins
PublikacjaWater properties may significantly affect protein stability. Osmolytes are compounds that intrinsically affect water in many different ways and thus can influence proteins with this type of indirect mechanism. In this study, we characterize water properties in ternary solutions: model–water–osmolyte, with two model molecules: N-methylacetamide (NMA) and dimethyl sulfoxide (DMSO) and two osmolytes: glycine betaine (TMG)and urea....
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Deep eutectic solvents based highly efficient extractive desulfurization of fuels – Eco-friendly approach
PublikacjaThe developed process is based on alternative, green and cheap solvents for efficient desulfurization of fuels. Several deep eutectic solvents (DESs) were successfully synthesized and studied as extraction solvents for desulfurization of model fuel containing thiophene (T), benzothiophene (BT) and dibenzothiophene (DBT). The most important extraction parameters (i.e. kind of DES, DES: fuel volume ratio, hydrogen bond acceptor:...
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Hydrodynamic cavitation based advanced oxidation processes: Studies on specific effects of inorganic acids on the degradation effectiveness of organic pollutants
PublikacjaThe use of cavitation in advanced oxidation processes (AOPs) to treat acidic effluents and process water has become a promising trend in the area of environmental protection. The pH value of effluents – often acidified using an inorganic acid, is one of the key parameters of optimization process. However, in the majority of cases the effect of kind of inorganic acid on the effectiveness of degradation is not studied. The present...
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The role of water in deep eutectic solvent-base extraction
PublikacjaDeep eutectic solvents (DESs) are currently being used in different sectors, such as electrochemistry, electrodeposition, organic synthesis, nanoparticle preparation, bioactive compound separation, etc. Their use in analytical chemistry has only recently begun to expand. Despite the publication of a sufficient number of DES-based analytical extraction procedures, some details, such as interaction of DESwith the sample and target...
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Thermophysical study of the binary mixtures of triethyl phosphate with N-methylformamide, N,N-dimethylformamide and N,N-dimethylacetamide – Experimental and theoretical approach
PublikacjaDensities at (293.15, 298.15, 303.15 and 308.15) K, and viscosities and ultrasonic velocities at 298.15 K of binary liquid mixtures of triethyl phosphate with N-methylformamide, N,N-dimethylformamide and N,N-dimethylacetamide have been measured over the entire range of composition at p = 0.1 MPa. From the experimental data, values of excess molar volume, excess isentropic compressibility, viscosity deviation and excess Gibbs energy...
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DMSO hydration redefined: Unraveling the hydrophobic hydration of solutes with a mixed hydrophilic–hydrophobic characteristic
PublikacjaHydrophobic hydration of solutes with a mixed hydrophilic--hydrophobic characteristics is still poorly understood. This is because both experimental and theoretical methods find it difficult to see the ice-like water structure around the nonpolar solute groups, unlike hydrogen bonds with the hydrophilic groups. In order to unravel this problem, we have investigated DMSO hydration by means of infrared spectroscopy and theoretical...
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The interpretation of the parameters of the equation used for the extrapolation of apparent molar volumes of the non-electrolyte (solutes) to the infinite dilution
PublikacjaThe paper discusses how to interpret the parameters of the basic equation used for the extrapolation of the apparent molar volume of the solute to infinite dilution. The common misunderstandings and oversimplifications have been pointed out. We present the alternative ways of the data interpretation that can be used to eliminate these obvious but frequent mistakes.
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Volumetric properties of zinc(II) chloride in N,N-dimethylacetamide and dimethylsulfoxide
PublikacjaW oparciu o pomiary gęstości szeregu równomolarnych mieszanin soli Zn(ClO4)2 -ZnCl2 wyznaczono pozorne objętości molowe kompleksów powstających podczas kompleksowania jonów cynku jonami chlorkowymi w dimetylosulfotlenku i N,N-dimetyloacetamidzie w 298.15 K. Uzyskane wyniki jednoznacznie wskazują na to, że w N,N-dimetyloacetamidzie wszystkie kompleksy chlorkowe jonów cynku(II) są czterokoordynacyjne. W dimetlosulfotlenku natomiast...
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Apparent molar volumes of divalent transition metal chlorides and perchlorates in dimethyl sulfoxide solutions.
PublikacjaZmierzono gęstości roztworów nadchloranów i chlorków dwuwartościowych metali szeregu Mn(II)-Zn(II) w dimetylosulfotenku. Wyznaczone na drodze ekstrapolacji cząstkowe objętości molowe nadchloranów rozdzielono na udziały jonowe. Przeanalizowano wpływ pola ligandów na cząstkowe objętości molowe kationów. Przedstawiono związek między wartościami pozornych objętości molowych a stanami koordynacyjnymi soli w DMSO.
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Solubility enhancement of metronidazole using natural deep eutectic solvents: Physicochemical and thermodynamic studies
PublikacjaThis research aimed to explore the utility of natural deep eutectic solvents (NADES) as the co-solvents for slightly water-soluble metronidazole (MNZ). After testing 70 wt% (percentage by weight) aqueous mixtures of seven NADESs, it was found that MNZ had the highest solubility in water solutions of NADES composed of choline chloride (ChCl) and citric acid (CA). The solubility of MNZ (expressed as 103 mol fraction) increased with...
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Aqueous solutions of NMA, Na2HPO4 , and NaH2PO4 as models for interaction studies in phosphate–protein systems
PublikacjaPhosphate buffers are essential for many areas of studies. However, their influence on buffered systems is often ignored. The phosphate salts can interact with biologically important macromolecules (e.g. proteins) and stabilize or destabilize them. With our research, we want to answer question what kind of interactions, if any, occur between phosphate ions and a protein backbone model — N-methylacetamide (NMA). ATR-FTIR spectroscopy...
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Effect of osmolytes of different type on DNA behavior in aqueous solution. Experimental and theoretical studies
PublikacjaOsmolytes, the small organic molecules accumulated in cells under environmental stress, can modulate the stability of biopolymers such as proteins and DNA. In spite of many years of research, there is no established molecular mechanism of the influence of osmolytes on DNA structure. Here, we used two model osmolytes that denature (urea) or stabilize (trimethylglycine, TMG) proteins to study their effect on DNA in aqueous solutions...
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The hydration of selected biologically relevant molecules – the temperature effect on apparent molar volume and compression
PublikacjaThe densities and sound velocities at T = (288.15, 293.15, 298.15, 303.15 and 308.15) K were measured for aqueous solutions of glycine, trimethylamine-N-oxide, taurine and N-methylacetamide. From these data, the apparent molar volumes, V the apparent molar isentropic compressions, KS,, and the Passynski hydration numbers of solutes were determined. The concentration dependencies of the calculated quantities, their limiting values...
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Investigation of vortex assisted magnetic deep eutectic solvent based dispersive liquid–liquid microextraction for separation and determination of vanadium from water and food matrices: Multivariate analysis
PublikacjaA new and simple vortex assisted magnetic deep eutectic solvent dispersive liquid–liquid microextraction procedure (VA-MDES-DLLME) was developed for the determination of vanadium (V) in food and water samples by flame atomic absorption spectrometry (FAAS). In the extraction medium, a bis(acetylpivalylmethane) ethylenediimine (H2APM2en) was used for the complexation of V(V) in sample solution at pH 6. The VA-MDES-DLLME was optimized...
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Can sodium 1-alkylsulfonates participate in the sodium dodecyl sulfate micelle formation?
PublikacjaThe aggregation behavior of sodium dodecyl sulfate (SDS) was studied in an aqueous solution in the presence of increasing concentrations of selected sodium 1-alkylsulfonates, namely sodium 1-octanesulfonate, sodium 1-decanesulfonate, and sodium 1-dodecanesufonate. The critical micelle concentration (CMC) of SDS was determined by conductivity and fluorescence intensity measurements. The steady-state fluorescence quenching experiments...
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Magnetic deep eutectic solvents as efficient media for extraction of furfural and 5-hydroxymethylfurfural from aqueous samples
PublikacjaThe extraction of furfural (FF) and 5-hydroxymethylfurfural (HMF) from hydrolysates is currently one of the main challenges in bio-refinery. In this work, the separation of FF and HMF from the aqueous phase was carried out using a new type of green solvents – Magnetic Deep Eutectic Solvents (MDES). A conductor-like screening model for realistic solvents (COSMO-RS) was used for the preselection of 400 MDES. MDES which exhibit the...
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Removal of diphenols using pine biochar. Kinetics, equilibrium, thermodynamics, and mechanism of uptake
PublikacjaThermal pyrolysis synthesized activated biochar from the Pinus elliottii sawdust (PS) at 600° C. The obtained activated biochar (PB600) was used for the removal of three diphenols, catechol (CAT), resorcinol (RES), and hydroquinone (HYD), which are utilized mainly in different industries. The PB600 was characterized by several analytical techniques. The BET surface area of 1473 m2.g−1 and a total pore volume of 0.707 cm3 g−1 was...
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New nanoadsorbent based on magnetic iron oxide containing 1,4,7,10-tetraazacyclododecane in outer chain (Fe3O4@SiO2-cyclen) for adsorption and removal of selected heavy metal ions Cd2+, Pb2+, Cu2+
PublikacjaMagnetic Fe3O4@SiO2-cyclen nanoparticles were prepared and used as adsorbent for Cd2+, Pb2+ and Cu2+ from aqueous solution removal process controlled with differential pulse anodic stripping voltammetry (DPASV) and hanging mercury drop electrode (HDME). Nanomaterial was synthesised in three-step process co-precipitation of Fe3O4 core, coating with silane and N-(3-(triethoxysilyl)propyl)-1,4,7,10-tetraazacyclododecane-1-carboxamide...
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Effect of temperature and composition on physical properties of deep eutectic solvents based on 2-(methylamino)ethanol – measurement and prediction
PublikacjaNovel deep eutectic solvents were synthesized using 2-(methylamino)ethanol as hydrogen bond donor with tetrabutylammonium bromide or tetrabutylammonium chloride or tetraethylammonium chloride as hydrogen bond acceptors. Mixtures were prepared at different molar ratios of 1:6, 1:8 and 1:10 salt to alkanolamine and then Fourier Transform Infrared Spectroscopy measurements were performed to confirm hydrogen bonds interactions between...
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Electrochemical sensor for measurement of volatile organic compounds employing square wave perturbation voltage
PublikacjaThe paper presents the results of investigation on a prototype sensor for measurement of benzaldehyde in air. Sensitivity and limit of quantification of the sensor were determined for different internal electrolyte using the square wave voltammetry (SWV) as a detection technique. The working and counter electrodes were made of platinum. Ionic liquids 1-hexyl, 3-methylimidazolium chloride,1-hexyl, 3-methylimidazolium bis (trifluoromethanesulfonyl)...
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Unifying Aspects of Generalized Calculus
PublikacjaNon-Newtonian calculus naturally unifies various ideas that have occurred over the years in the field of generalized thermostatistics, or in the borderland between classical and quantum information theory. The formalism, being very general, is as simple as the calculus we know from undergraduate courses of mathematics. Its theoretical potential is huge, and yet it remains unknown or unappreciated.
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Evaluation of flavour profiles in e-cigarette refill solutions using gas chromatography–tandem mass spectrometry
PublikacjaMany flavour compounds that are present in e-liquids for e-cigarettes are responsible for specific tastes and smoking sensations for users. Data concerning content and specific types of flavours is often limited and unknown to users. The aim of the research was to define and compare flavour profiles of e-liquids with the same group taste from different manufacturers. Gas chromatography coupled with tandem mass spectrometry (GC–MS/MS)...
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Dependence between Ionic Liquid Structure and Mechanism of Visible-Light-Induced Activity of TiO2 Obtained by Ionic-Liquid-Assisted Solvothermal Synthesis
PublikacjaBecause of the tremendous structural diversityof ionic liquids (ILs), simple transfer of observations performed for one IL used for IL-TiO2 preparation on different samples is not possible. Therefore, four ionic liquids, all containing distinct nitrogen-bearing organic cations (pyridinium, pyrrolidinium, ammonium, imidazolium), were used for the first time for the preparation of IL-TiO2 composites. The role of the individual IL...
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Information content of systems as a physical principle
PublikacjaTo explain the conceptual gap between classical and quantum and other, hypothetical descriptions of the world, several principles have been proposed. So far, all these principles have not explicitly included the uncertainty relation. Here we introduce an information content principle ( ICP ) which represents a constrained uncertainty principle. The principle, by taking into account the encoding and decoding properties of a single physical...
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Stark effect of atomic helium singlet lines
PublikacjaWe present experimental and theoretical investigations of the He spectral series 2S1−nQ1 (n=3÷9, Q=S,P,D,…,n−1) and 2P1−nQ1 (n=3÷9, Q=S,P,D,…,n−1) in electric fields up to 1635 kV/cm. Apart from the allowed transitions with |ΔL|=1, the transitions with |ΔL|=0,2,3,…-without field strictly forbidden-were observed. Several He patterns become similar to hydrogen patterns, which means they are nearly symmetric and show in higher fields...
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Duhem and Natanson: Two Mathematical Approaches to Thermodynamics
PublikacjaIn this article, the previously unrecognized contributions of Pierre Duhem and Ladislavus Natanson in thermodynamics are shown. The mathematical remodelling of a few of their principal ideas is taken into consideration, despite being neglected in the literature. To emphasize these ideas in an appropriate epistemological order, it would be crucial to first revalue and reconstruct some underrepresented parts of the proceedings process...
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Analytical progress on symmetric geometric discord: Measurement-based upper bounds
PublikacjaQuantum correlations may be measured by means of the distance of the state to the subclass ofstates having well defined classical properties. In particular, a geometric measure of asymmetricdiscord [Daki´c et al., Phys. Rev. Lett. 105, 190502 (2010)] was recently defined as the Hilbert-Schmidt distance of a given two-qubit state to the closest classical-quantum (CQ) correlated state.We analyze a geometric measure of symmetric...
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Constructive entanglement test from triangle inequality
PublikacjaWe derive a simple lower bound on the geometric measure of entanglement for mixed quantum states in the case of a general multipartite system. The main ingredient of the presented derivation is the triangle inequality applied to the root infidelity distance in the space of density matrices. The obtained bound leads to entanglement criteria with a straightforward interpretation. The proposed criteria provide an experimentally accessible,...
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Greener organic solvents in analytical chemistry
PublikacjaThe paper presents the most recent advances in analytical applications of greener organic solvents. Substitution of problematic solvents with more benign organic ones is much easier than shifting to technique applying alternative solvents, such as ionic liquids or supercritical fluids. In the area of liquid chromatography greener mobile phases, much attention is given to application ethanol or acetone instead of acetonitrile. Solvent-based...
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Synthesis and characterization of mononuclear Zn(II), Co(II) and Ni(II) complexes containing a sterically demanding silanethiolate ligand derived from tris(2,6-diisopropylphenoxy)silanethiol
PublikacjaFour heteroleptic complexes of zinc(II), cobalt(II) and nickel(II) containing a monodentate silanethiolate ligand derived from tris(2,6-diisopropylphenoxy)silanethiol (TDST), were prepared and characterized. The geometries of ligands in the complexes are typical: distorted tetrahedral in zinc and cobalt(II) complexes and square planar in nickel(II) compound. Magnetic studies performed for Ni(II) and Co(II) compounds confirm the...
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Structural properties of hypothetical CeBa2Cu3O7 compound from LSDA+DMFT calculations
PublikacjaThe hypothetical stoichiometric CeBa2Cu3O7 (Ce123) compound, which has not been synthesized as a single phase yet, was studied by the density functional theory (DFT). We utilized a method which merges the local spin density approximation (LSDA) with the dynamical mean-field theory (DMFT) to account for the electronic correlations. The LSDA+DMFT calculations were performed in the high-temperature range. The particular emphasis was...
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Contr-rotating eccentric-mass rotors used as exciters of sinusoidal forces applied to elastically supported bodies
PublikacjaThe work focuses on aspects of multibody dynamics. Investigated object is a mass driven by rotations of an inertial shaker. Resulting vibrational set consists of two counter-rotating identically-unbalanced rotors. Since the mass centres of the rotors do not coincide with the axes of their rotations, significant centrifugal forces arise during rotations. As both rotors are identically unbalanced, the inter-axial force components...
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Computed vibrational excitation ofCF4by low-energy electrons and positrons: Comparing calculations and experiments
PublikacjaQuantum calculations for the excitation of the asymmetric modes of the CF4 target gas, ν3 and ν4, by impact of low-energy electrons and positrons are carried out in the energy range around 1 eV and are compared with recent experimental findings. The similarities and differences between the two types of projectiles, and the two different modes, are analyzed and discussed vis à vis the present accord with the experimental results.
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The adiabatic potentials of low-lying electronic states of the NaRb molecule
PublikacjaAdiabatic potential energy curves and spectroscopic constants have been calculated for the NaRb molecule. The results of ten states of the symmetry Σ+, six states of the symmetry Π, and two states of the symmetry Δ are obtained by the nonrelativistic quantum chemical method used with pseudopotentials describing the interaction of valence electrons with atomic cores. Analysis is based on a comparison with the results of other theoretical...
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Impact of dyes isomerization effect on the charge transfer phenomenon occurring on the dye/nanosemiconductor interface
PublikacjaThe present work aimed to find the answer how does the isomerization of the Ru based dyes affect the overall photon-to-current efficiency of the DSSCs and to explain the charge transfer phenomenon occurring on the dye/ nanosemiconductor interface. Therefore, electronic and optical properties of three bipyridine derivatives anchored on the TiO2 electrode were investigated by computational simulations based on quantum chemistry codes...
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Enhancement of the Magnetic Coupling in Exfoliated CrCl 3 Crystals Observed by Low‐Temperature Magnetic Force Microscopy and X‐ray Magnetic Circular Dichroism
PublikacjaMagnetic crystals formed by 2D layers interacting by weak van der Waals forces are currently a hot research topic. When these crystals are thinned to nanometric size, they can manifest strikingly different magnetic behavior compared to the bulk form. This can be the result of, for example, quantum electronic confinement effects, the presence of defects, or pinning of the crystallographic structure in metastable phases induced by...
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PROBLEMY RACJONALNEGO ZASTOSOWANIA SYSTEMÓW DIAGNOZUJĄCYCH DO PODEJMOWANIA DECYZJI W FAZIE EKSPLOATACJI URZĄDZEŃ ENERGETYCZNYCH Z UWZGLĘDNIENIEM ZAGADNIEŃ KWANTOWYCH
PublikacjaW rozdziale przedstawiono najistotniejsze problemy pojawiające się w fazie projektowania, wytwarzania i eksploatacji systemów diagnozujących (SDG) urządzeń energetycznych (będących systemami diagnozowanymi – SDN), w przypadku przysposabiania ich do opracowania finalnej diagnozy eksploatacyjnej. Przestawiono opisową i formalną interpretację pojęcia systemu diagnozującego (SDG). Zaproponowano modele procesu diagnozowania urządzeń...
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Nanocrystalline Polymer Impregnated [Fe(pz)Pt(CN)4] Thin Films Prepared by Matrix-Assisted Pulsed Laser Evaporation
PublikacjaIn this work, the fabrication of [Fe(pz)Pt(CN)4] (pz = pyrazine) thin films by means of matrix-assisted pulsed laser evaporation (MAPLE) was investigated. As starting material, a cryogenically cooled suspension of anocrystalline [Fe(pz)Pt- (CN)4] (0.35wt.-%) in a mixture of 1,1-dichloroethane and polyethylene glycol (PEG) was used. Films of a thickness up to 150–200 nm were deposited on Si substrates by laser ablation at λ = 1064...
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Synthesis and physical properties of Sm2PdGe3 in a context of RE2PdGe3 family
PublikacjaIn this study, we present the crystallographic and magnetic characterization of a new intermetallic compound Sm2PdGe3, which was synthetized by a two stage method employing an eutectic alloy. The investigations carried out exhibited, that Sm2PdGe3 crystallize in AlB2-type structure with lattice parameters a = 4.2189(1) Å and c = 4.1031(2) Å. This compound can be classified as a cluster-glass with a spin freezing temperature Tf...
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Piotr Skurski prof. dr hab.
OsobyPiotr Stanisław Skurski (ur. 25 sierpnia 1969 w Gdańsku) – polski chemik specjalizujący się w chemii kwantowej i fizycznej, profesor nauk chemicznych, profesor zwyczajny Wydziału Chemii Uniwersytetu Gdańskiego, kierownik Katedry Chemii Teoretycznej i Pracowni Chemii Kwantowej na tym wydziale, a także Professor of Chemistry w Henry Eyring Center for Theoretical Chemistry na Uniwersytecie Utah w Stanach Zjednoczonych. W latach 2011-2016 członek...
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Unraveling the role of boron dimers in the electrical anisotropy and superconductivity in boron-doped diamond
PublikacjaWe use quantum mechanics (QM) to determine the states formed by B dopants in diamond. We find that isolated B sites prefer to form BB dimers and that the dimers pair up to form tetramers (BBCBB) that prefer to aggregate parallel to the (111) surface in the <110> direction, one double layer below the H-terminated surface double layer. These tetramers lead to metallic character (Mott metal Insulator Transition) with holes in the...