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Search results for: DEUTERIUM-BASED PLASMA, POLYCRYSTALLINE DIAMOND, CORE-LEVEL SPECTROSCOPIES, RAMAN SPECTROSCOPY, DFT CALCULATIONS
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Enhanced capacitance of composite TiO2 nanotube/boron-doped diamond electrodes studied by impedance spectroscopy
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Ultrasonic Tomography of Brick Columns Based on FEM Calculations
PublicationUltrasonic tomography is one of the most developed method of non-destructive testing. Despite being used mainly in medicine, it is becoming more and more popular as a method for monitoring of structural elements. It allows to examine the internal structure and technical condition of the tested element. This paper investigates the influence of crosssectional geometry on an obtained tomographic image. Wave propagation signals were...
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Effect of the Catalytic Center on the Electron Transfer Dynamics in Hydrogen-Evolving Ruthenium-Based Photocatalysts Investigated by Theoretical Calculations
PublicationThe 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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Resonant ultrasonic spectroscopy in high-voltage varistor spectroscopy
PublicationResonant spectroscopy is an effective non-destructive testing method focused on defects in tested objects. The testing procedure, based on the resonant pattern, allows rejection of the tested samples with defects which do not fit the pattern. A sweeping frequency method has been used to measure the spectrum of resonances in high-voltage varistors. As a result we can observe resonances that depend directly on inhomogeneity of the...
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Application of Raman Spectroscopy to Evaluate the Structure Changes of Lubricating Grease Modified with Montmorillonite after Tribological Tests
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Enhancement of the efficiency of the third harmonic generation process in ZnO:F thin films probed by photoluminescence and Raman spectroscopy
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Porównanie metod filtracji w dziedzinie widma DFT
PublicationW niniejszej pracy zaprezentowano porównanie metod filtracji w dziedzinie częstotliwości,czyli w dziedzinie widma DFT. Opisano i omówiono podstawowe metody filtracji: bez zeropaddingu, z zeropaddingiem oraz metodę Cheh Pana. Pokazane i porównane zostały wyniki eksperymentów dla typowych aplikacji, jakimi są filtr dolnoprzepustowy i filtr różniczkujący.
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TERMODYNAMIC CALCULATIONS OF TURBINE STEAM PARAMETERS
PublicationIn this work a heat balance was made for the nominal conditions of a block working with 18K370 turbine. For the parameters obtained, the thermal-flow calculations of the steam turbine were performed, maintaining the actual geometry of its flow system. Based on the nominal values obtained, iterative thermal and flow calculations were made for both the heat cycle of the power plant block and the steam turbine itself, seeking to obtain...
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Portable raman spectrometer with two excitation wavelengths
PublicationSelected problems of development of a portable Raman spectrometer having small size, reduced power consumption and robust construction are shown. The device dedicated for semiskilled personnel uses two lasers: 785nm and 355nm. Results of preliminary tests are presented. Also data processing procedures as well as problems referred to Raman signals acquisition through packages and influence of interfering signals are discussed.
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Application of boron-doped diamond film and ZnO layer in the Fabry-Pérot interferometer
PublicationIn this article there have been presented the use of boron-doped diamond films for sensor applications. The low-finesse Fabry-Pérot interferometer working in the reflective mode has been implemented. Two kinds of reflective layers have been elaborated: boron-doped diamond thin films and zinc-oxide (ZnO) layer. Thin ZnO layers were deposited by Atomic Layer Deposition (ALD) on the face of a standard telecommunication single-mode...
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3D Hierarchical Boron-Doped Diamond-Multilayered Graphene Nanowalls as an Efficient Supercapacitor Electrode
PublicationSynthesis of stable hybrid carbon nanostructure for high-performance supercapacitor electrode with long life-cycle for electronic and energy storage devices is a real challenge. Here, we present a one-step synthesis method to produce conductive boron-doped hybrid carbon nanowalls (HCNWs), where sp2-bonded graphene has been integrated with and over a three-dimensional curved wall-like network of sp3-bonded diamond. The spectroscopic...
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Surface-enhanced Raman scattering (SERS) and tip-enhanced Raman scattering (TERS) in label-free characterization of erythrocyte membranes and extracellular vesicles at the nano-scale and molecular level
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Detection of illicit chemicals by portable Raman spectrometer
PublicationThe Raman spectrometers can be built as the portable devices and can be used in various places to detect illicit chemicals. This method has become popular due to deficiency of other fast methods that could be applied against terrorist attacks or could help police at their work. The conception of a portable Raman spectrometer has been presented. The description enclosures presentation of the prepared device and its possible applications...
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Novel Interpolation Method of Multi-DFT-Bins for Frequency Estimation of Signal with Parameter Step Change
PublicationThe IpDFT(Interpolation Discrete Fourier Trans-form) method is one of the most commonly used non-parametric methods. However, when a parameter (frequency, amplitude or phase) step changes in the DFT period, the DFT coefficients will be distorted seriously, resulting in the large estimation error of the IpDFT method. Hence, it is a key challenge to find an IpDFT method, which not only can eliminate the effect of the step-changed...
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Heterogeneous oxidation of highly boron-doped diamond electrodes and its influence on the surface distribution of electrochemical activity
PublicationThe electrochemical active surface area (EASA) of polycrystalline boron-doped diamond (BDD) electrodes is heterogeneous and can be affected by numerous factors. There is a strong need for proper consideration of BDD heterogeneity in order to improve this material's range of application in electrochemistry. Localized changes in surface termination due to the influence of oxidation agent result in increased surface resistance. The...
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Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP
PublicationDensity functional theory molecular dynamics (DFT-MD) provides an efficient framework for accurately computing several types of spectra. The major benefit of DFTMD approaches lies in the ability to naturally take into account the effects of temperature and anharmonicity, without having to introduce any ad hoc or a posteriori corrections. Consequently, computational spectroscopy based on DFT-MD approaches plays a pivotal role in...
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Raman spectra of MXenes catalysts
Open Research DataData contain results from Raman spectroscopy of the Ti3C2Tx MXenes produced via acidic etching aluminum from MAX Phase (Ti3C2-Al-Ti3C2-Al-Ti3C2) using different etching agents, HF/HCl and HF/H2SO4 with different weight ratios (1:3, 1:4, and 1:5). The samples were labeled as MXene HF/HCl X:Y and MXene HF/H2SO4 X:Y, where X:Y means the acids weight ratios. ...
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Production fragmentation and employment. Country-industry level analysis based on WIOD 2016
PublicationThe aim of this research is to reanalyse the possible impact of production fragmentation on employment using the newest world input-output database (WIOD) release (2016) and recently proposed by Timmer, Los, Stehrer and de Vries measure of production fragmentation which traces the imports needed in all stages of production. This study is provided on country-industry level for 56 industries and 41 countries for the years 2000–2014....
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Filtr ułamkowoopóźniający realizowany w dziedzinie transformaty DFT
PublicationW pracy przestawiono zagadnienie implementacji w dziedzinie częstotliwości dyskretnej filtrów o zadanym opóźnieniu ułamkowym.Dla zapewnienia wysokiej jakości implementowanych filtrów konieczne jest jawne określenie prążków charakterystyki częstotliwościowej takiego filtru w jego paśmie niespecyfikowanym. Pokazano, że zaproponowana implementacja w realizowana w dziedzinie transformaty DFT możne zostać powiązana w dziedzinie czasu...
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Low temperature growth of diamond films on optical fibers using Linear Antenna CVD system
PublicationIt is not trivial to achieve a good quality diamond-coated fibre interface due to a large difference in the properties and composition of the diamond films (or use coating even) and the optical fibre material, i.e. fused silica. One of the biggest problems is the high temperature during the deposition which influences the optical fibre or optical fibre sensor structure (e.g. long-period gratings (LPG)). The greatest advantage of...
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Vibrational Sum-Frequency Generation Activity of a 2,4-Dinitrophenyl Phospholipid Hybrid Bilayer: Retrieving Orientational Parameters from a DFT Analysis of Experimental Data
PublicationThe vibrational nonlinear activity of films of 2,4-dinitrophenyl phospholipid (DNP) at the solid interface is measured by sum-frequency generation spectroscopy (SFG). Hybrid bilayers are formed by a LangmuirSchaefer approach in which the lipid layer is physisorbed on top of a self-assembled monolayer of dodecanethiol on Pt with the polar heads pointing out from the surface. The SFG response is investigated in two vibrational frequency...
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Copper(II) complexes of 7-amino-2-methylchromone and 7-aminoflavone: Magneto-structural, spectroscopic and DFT characterization
PublicationFour new complexes of copper(II) consisting of two different chromone derivatives with carbonyl and amine donor atoms: 7-aminoflavone (L1) and 7-amino-2-methylchromone (L2), were synthesized and characterized by X-ray diffraction, UV–Vis, FT-IR, EPR spectroscopy, MS and elemental analysis. In all four compounds, the chromone derivatives were found to act as monodentate O- or N-ligands. The structural characteristics of 1a and...
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Study of ultraviolet-visible fluorescence emission following resonant Auger decay of the 2p-1nl core-excited states of argon atoms
PublicationWe have studied the excitation and relaxation of Ar+ ions populated in resonant Auger decay from the Ar 2p−1nl core-excited states by using ultraviolet-visible fluorescence spectroscopy and photon-photon delayed coincidence technique. Fluorescence emission yields were measured in the photon energy range of 240-–255 eV for the 3s23p4(1D)5s(2D) → 3s23p4(1D)4p(2F) (393 nm) and 3s23p4(1D)4d(2F) → 3s23p4(1D)4p(2F) (335 nm) transitions...
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Image-based numerical modeling of the tensile deformation behavior and mechanical properties of additive manufactured Ti–6Al–4V diamond lattice structures
PublicationThis work concerns the numerical modeling of the deformation process and mechanical properties of structures obtained by the additive method laser power bed fusion (LPBF). The investigation uses diamond structures of Ti–6Al–4V titanium implantation alloy with various relative densities. To model the process of tensile deformation of the materials, geometric models were used, mapping the realistic shape of the examined structures....
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Conformational studies of [Nphe5]SFTI-1 by means of 2D NMR spectroscopy in conjunction with molecular dynamics calculations
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Projektowanie filtru DFT-VFD metodą Hooke-Jeevesa
PublicationZaletą filtrów ułamkowo opóźniających typu DFT-VFD określanych przez współczynniki ich dyskretnej charakterystyki częstotliwościowej z pasma przejściowego jest ich powiązanie z metodą okien przesuwanych. Czyni je to szczególnie przydatnymi w zastosowaniach do zmiany szybkości próbkowania. Problem stanowi jednak projektowanie tych filtrów. Dotychczas dostępna metoda POCS co prawda gwarantuje zbieżność, ale jest ona bardzo powolna....
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Nanocrystalline diamond sheets as protective coatings for fiber-optic measurement head
PublicationFiber-optic sensors find numerous applications in science and industry, but their full potential is limited because of the risk of damaging the measurement head, in particular, due to the vulnerability of unprotected tips of the fiber to mechanical damage and aggressive chemical agents. In this paper, we report the first use of a new nanocrystalline diamond structure in a fiber-optic measurement head as a protective coating of...
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Pulse-Width Modulation Template for Five-Level Switch-Clamped H-Bridge-Based Cascaded Multilevel Inverter
PublicationThis article presents a carrier-based pulse-width modulation (PWM) template for a 5-level, H bridge-based cascaded multilevel inverter (MLI). The developed control concept generates adequate modulation template for this inverter topology wherein a sinusoidal modulating waveform is modified to fit in a single triangular carrier signal range. With this modulation approach, classical multiplicity and synchronization of the triangular...
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Leszek Ziemczonek dr
PeopleUniversity education 1973-1978 – Nicolaus Copernicus University in Toruń, University of Gdańsk in Gdańsk, Mathematical Physics, M. Sc. 1979 – Diploma of Postgraduate Studies, Pedagogics 1989 – Institute of Physics, Polish Academy of Sciences in Warsaw, Theoretical Physics, Ph. D. 2010-2012 – Diploma of Postgraduate Studies, Mathematics Training: · 09.1983 – Trieste (Italy) – International Centre for Theoretical Physics...
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Raman spectra of CPMH and CPMD
Open Research DataThese data contains Raman spectra of CPMH and CPMD. Raman scattering was measured with a RenishawmicroRaman spectrometer (785 nm). Sample abbreviations (CPMH, CPMD) are in agreement with the markings used in the linked publication.
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SciPost Physics Core
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A DFT+U study of carbon nanotubes under influence of a gate voltage
PublicationA possibility of appearance of antiferromagnetic ordering in armchair carbon nanotubes and graphene is studied using density functional theory within a DFT+U approach. It is shown that the Coulomb repulsion between electrons in the -orbitals of graphene would need to reach a threshold value of ,...
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Observation of the de Vries behavior in SmA* phase of a liquid crystal using polarised Raman scattering and infrared spectroscopy
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Trends in biomedical analysis of red blood cells – Raman spectroscopy against other spectroscopic, microscopic and classical techniques
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Using isothermal calorimetry and FT-Raman spectroscopy for step-by-step monitoring of maize seed germination: case study
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Python based high-level synthesis compiler
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Raman spectra and electrochemical data of carbon nanowall with tailored defects
Open Research DataThis dataset comprises of Raman spectra aquired with different excitation laser sources and the electrochemical data of defect-induced carbon nanowall electrodes (CNW).
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Diamond-Based Supercapacitors with Ultrahigh Cyclic Stability Through Dual-Phase MnO2-Graphitic Transformation Induced by High-Dose Mn-Ion Implantation
PublicationWhile occasionally being able to charge and dischargemore quickly than batteries, carbon-based electrochemical supercapacitors(SCs) are nevertheless limited by their simplicity of processing, adjustableporosity, and lack of electrocatalytic active sites for a range of redox reactions.Even SCs based on the most stable form of carbon (sp3carbon/diamond)have a poor energy density and inadequate capacitance retention during longcharge/discharge...
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Valence and Ionic Lowest-Lying Electronic States of Isobutyl Formate Studied by High-Resolution Vacuum Ultraviolet Photoabsorption, Photoelectron Spectroscopy, and Ab Initio Calculations
PublicationThe highest resolution vacuum ultraviolet photoabsorption spectrum of isobutyl formate, C5H10O2, yet reported is presented over the energy range 4.5−10.7 eV (275.5−118.0 nm) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator...
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Doped Nanocrystalline Diamond Films as Reflective Layers for Fiber-Optic Sensors of Refractive Index of Liquids
PublicationThis paper reports the application of doped nanocrystalline diamond (NCD) films—nitrogen-doped NCD and boron-doped NCD—as reflective surfaces in an interferometric sensor of refractive index dedicated to the measurements of liquids. The sensor is constructed as a Fabry–Pérot interferometer, working in the reflective mode. The diamond films were deposited on silicon substrates by a microwave plasma enhanced chemical vapor deposition...
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Nitrogen-doped diamond thin films: potential application in Fabry-Pérot interferometer
PublicationIn this paper we present results of preliminary research of using nitrogen-doped diamond (NDD) films as reflective layer in Fabry-Pérot interferometer. NDD films were deposited on Si substrates by Microwave Plasma Enhanced Chemical Vapor Deposition (MPECVD) with the use of CH4, H2 and N2 gas mixtures. During deposition process methane flow rate varied while nitrogen flow was constant. We performed series of measurements which showed...
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Library Information Skills - Level 1
e-Learning CoursesThe Gdańsk Tech Library offers Library Information Skills e-course to the students enrolled in English-language degree programmes at Gdańsk University of Technology (Gdańsk Tech). It is an obligatory course. There is a test at the end of the e-course. Information skills, or in other words information literacy, means knowing what kind of information a student is looking for, where to find it, how to evaluate, communicate and use...
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Theoretical estimation of acid–base properties of Lewis and Brønsted centres at the V-W-O catalyst surface: water molecule as the probe in DFT calculations
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Managing Quality Contests Based on Excellence Model at the Local Level. Selected Conditions and Problems – Case Study
PublicationThe aim of this article was to present characteristic phenomena accompanying competitions for quality awards based on the use of the organizational excellence models implemented at the regional level. Typical problems were identified, the understanding of which allows for a better use of the idea of excellence to raise the overall level of maturity of organizations aspiring to quality awards at every level. The results of self-assessment...
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Electrochemically assisted deposition of hydroxyapatite on Ti6Al4V substrates covered by CVD diamond films — Coating characterization and first cell biological results
PublicationAlthough titaniumand its alloys are widely used as implant material for orthopedic and dental applications they show only limited corrosion stability and osseointegration in different cases. The aim of the presented research was to develop and characterize a novel surface modification system from a thin diamond base layer and a hydroxyapatite (HAp) top coating deposited on the alloy Ti6Al4V widely used for implants in contact with bone....
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The description of non-linear interactions of wave and non-wave modes in a non-adiabatic plasma flow
PublicationThe method of derivation of non-linear equations for interacting modes is explained and applied to a plasma's flow affected by a magnetic field. It is based on the linear projecting of the total perturbation field into specific variations of variables in individual modes of a flow. The method may be applied in many examples of fluid flows with different mechanisms of non-adiabaticity. It is of special importance in complex flows...
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Development and validation of a model that includes two ultrasound parameters and the plasma D-dimer level for predicting malignancy in adnexal masses: an observational study
PublicationBackground: Pre-operative discrimination of malignant from benign adnexal masses is crucial for planning additional imaging, preparation, surgery and postoperative care. This study aimed to define key ultrasound and clinical variables and develop a predictive model for calculating preoperative ovarian tumor malignancy risk in a gynecologic oncology referral center. We compared our model to a subjective ultrasound assessment (SUA)...
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Selective adsorption of BTEX on calixarene-based molecular coordination network determined by 13C NMR spectroscopy
PublicationBenzene, toluene, ethylbenzene, and xylenes (BTEX), a class of volatile organic compounds, are harmful pollutants but also very important precursors in organic industrial chemistry. Among different approaches used for the BTEX treatment, the adsorption technology has been recognized as an efficient approach because it allows to recover and reuse both adsorbent and adsorbate. However, the selective adsorption of the components is...
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Thin CVD diamond films - synthesis, properties, applications
PublicationThe basic model of diamond films growth, in the low pressure synthesis, deposition from the CVD gas phase, is the mixture of hydrocarbon gas in presence with activated hydrogen and its nucleation on the substrate as a result of pyrolysis reaction. It allows to cross the great energetic barrier between graphite and diamond. High pressure and temperature are replaced by change of electronic structure of atoms into gas precursors...
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Tuning the Laser-Induced Processing of 3D Porous Graphenic Nanostructures by Boron-Doped Diamond Particles for Flexible Microsupercapacitors
PublicationCarbon (sp3)-on-carbon (sp2) materials have the potential to revolutionize fields such as energy storage and microelectronics. However, the rational engineering and printing of carbon-on-carbon materials on flexible substrates remains a challenge in wearable electronics technology. This study demon-strates the scalable fabrication of flexible laser-induced graphene (LIG)-boron doped diamond nanowall (BDNW) hybrid nanostructures...