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Instytut Fizyki i Informatyki Stosowanej
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Rok 2020
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Investigation of rotational state-changing collisions of C2N− ions with helium
PublikacjaThe cross sections for rotational inelastic collisions between atoms and a molecular anion can be very large, if the anion has a dipole moment. This makes molecular anions very efficient in cooling atomic gases. We address rotational inelastic collisions of Helium atoms with the molecular anion C2N–. Here we present preliminary calculations of the potential energy surface.
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Low energy differential elastic electron scattering from trichloromethane
PublikacjaExperimental differential cross sections for low energy electron scattering from trichloromethane is measured utilizing a crossed electron-molecular beam experiment via the relative flow method, for the incident electron energies in the range of E = 0.5 eV-30 eV and the scattering angles in the range of θ = 10◦ − 130◦ .
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Low energy elastic electron scattering from benzonitrile (C6H5CN)
PublikacjaWe present experimental differential elastic scattering cross sections (DCSs) for low energy electron scattering from benzonitrile along with integral and momentum-transfer cross sections that are determined from these DCSs. The measurements of DCSs are obtained using the relative flow method with helium as the standard gas, in a crossed electron-molecular gas beam arrangement. Our measurements are made at incident electron energies...
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Low energy electron mass stopping power in H2
PublikacjaWe present experimental mass stopping powers of electrons in gaseous H2 obtained with a newly developed electron time-of-flight spectrometer, for the incident electron energy range of 10eV to 25eV. In our procedure the average energy loss is derived from our conversion of measured electron time-of-flight spectra into equivalent electron energy loss spectra so as to obtain the values of mass stopping power for electron scattering...
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Low energy inelastic electron scattering from carbon monoxide: I. excitation of the a3Π, a’3Σ+ and AΠ1 electronic states.
PublikacjaDifferential scattering cross sections for electron excitation of the three lowest excited electron states of carbon monoxide are obtained experimentally using low-energy electron energy-loss spectroscopy and theoretically using the R-matrix method. The incident electron energies range from near-threshold of 6.3 eV to 20 eV. Experimental scattering angles range from 20◦ to 120◦. The normalization of the experimental cross sections...
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Magnetoacoustic Heating of Plasma Caused by Periodic MagnetosoundPerturbations with Discontinuities in a Quasi-Isentropic Magnetic Gas
PublikacjaThe magnetoacoustic heating of plasma by harmonic or periodic saw-tooth perturbations at a trans-ducer is theoretically studied. The planar fast and slow magnetosound waves are considered. The wavevector may form an arbitrary angleθwith the equilibrium straight magnetic field. In view of variableθand plasma-β, the description of magnetosound perturbations and appropriate magnetosound heatingis fairly difficult. The scenario of...
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Methylation effect in e−— scattering on methyl-substituted ethylenes
PublikacjaMethylation effect has been observed and studied in electron-scattering from selected hydrocarbon molecules. In measured total cross section (TCS) functions we have noticed energy shifts and changes in the intensity of observed structures.
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Naukowcy pracują nad poprawą efektywności terapii borowo-neutronowej w chorobach nowotworowych
PublikacjaBadacze konsorcjum zamierzają wspólnie wypracować nowatorską metodologię, która znacznie poprawi kliniczną efektywność terapii boro- wo-neutronowej chorób nowotworowych. Technologia wypracowana przez konsorcjum stanie się podstawą nowych produktów i usług dla klinik onkologicznych w skali globalnej.
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Non-Diophantine Arithmetics in Mathematics, Physics and Psychology
PublikacjaFor a long time, all thought there was only one geometry — Euclidean geometry. Nevertheless, in the 19th century, many non-Euclidean geometries were discovered. It took almost two millennia to do this. This was the major mathematical discovery and advancement of the 19th century, which changed understanding of mathematics and the work of mathematicians providing innovative insights and tools for mathematical research and applications...
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Non-Linear Interaction of Harmonic Waves in a Quasi-Isentropic Flow of Magnetic Gas
PublikacjaThe diversity of wave modes in the magnetic gas gives rise to a wide variety of nonlinear phenomenaassociated with these modes. We focus on the planar fast and slow magnetosound waves in the geometryof a flow where the wave vector forms an arbitrary angleθwith the equilibrium straight magnetic field.Nonlinear distortions of a modulated signal in the magnetic gas are considered and compared to thatin unmagnetised gas. The case of...
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On description of periodic magnetosonic perturbations in a quasi-isentropic plasma with mechanical and thermal losses and electrical resistivity
PublikacjaMagnetosonic periodic perturbations in a uniform and infinite plasma model are considered. Damping due to compressional viscosity, electrical resistivity, and thermal conduction are taken into account, as well as some heating–cooling function, which may destroy the isentropicity of wave perturbations. The wave vector forms arbitrary angle h with the equilibrium straight magnetic field, and all perturbations are functions...
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Polarimetric studies of L-arginine-doped potassium dihydrogen phosphate single crystals
PublikacjaConoscopic interference patterns, channelled spectra and polarimetric techniques have been used for the characterization of pure and doped (with L-arginine amino acid) potassium dihydrogen phosphate (KDP) single crystals. Experimental polarimetric data have been obtained for the frequently used wavelength of 633 nm and for two close wavelengths of 532 and 543 nm in a high-accuracy dual-wavelength polarimeter. The measurement of...
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Positron Scattering and Annihilation in Organic Molecules
PublikacjaIn this paper, we address the problem of connecting positron lifetimes in liquids with collision cross sections in gases. We present the analyses of annihilation lifetime spectra of positrons in the liquid benzene, c-hexane, n-hexane, methanol and ethanol and calculations of scattering cross sections of positrons with benzene and c-hexane in the gas phase.
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Positron scattering by the Ar2 and Xe2 dimers
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Preparation and Characterization of Defective TiO2. The Effect of the Reaction Environment on Titanium Vacancies Formation
PublikacjaAmong various methods of improving visible light activity of titanium(IV) oxide, the formation of defects and vacancies (both oxygen and titanium) in the crystal structure of TiO2 is an easy and relatively cheap alternative to improve the photocatalytic activity. In the presented work, visible light active defective TiO2 was obtained by the hydrothermal reaction in the presence of three different oxidizing agents: HIO3, H2O2, and...
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Recent total cross section measurements in electron scattering from molecules
PublikacjaThe grand-total cross sections (TCSs) for electron scattering from a range of molecules, measured over the period 2009-2019 in various laboratories, with the use of different electron transmission systems, are reviewed. Where necessary, the presented TCS data are also compared to earlier results. Collection of investigated molecular targets (biomolecules, biofuels, molecules of technological application,hydrocarbons) reflects their...
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Role of methylation in electron scattering on X(CH3)4 (X = C, Si, Ge) molecules
PublikacjaTotal cross sections (TCS) for low-energy electron scattering from X(CH3)4 (where X = C, Si, Ge) molecules have been measured using linear transmission method. Present results and those obtained previously for XH4 molecules were used to determine how methylation of the target is reflected in TCS energy dependence.
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Role of methylation in electron scattering on X(CH3)4 (X= C, Si, Ge) molecules (2)
PublikacjaTo investigate how replacement of H atom with methyl group (CH3) – in tetrahedral compounds of carbon, silicon and germanium – affects electron scattering process, total cross sections (TCS) for electron scattering from C(CH3)4, Si(CH3)4 and Ge(CH3)4 molecules have been compared with data for CH4, SiH4 and GeH4 molecules. All examined data have been obtained with the same experimental setup. The shape of all discussed TCS energy...
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Role of surface recombination in perovskite solar cells at the interface of HTL/CH3NH3PbI3
PublikacjaIn order to achieve the highest performance of organometal trihalide perovskite solar cells, it is required to recognize the dominant mechanisms which play a key role in a perovskite material. In the following studies, we have focused on the interfacial recombination between the hole transporting layer (HTL) and the perovskite CH3NH3PbI3 in solar cell devices with p–i–n architecture. It has been shown that Cu:NiOx : used as HTL...
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Rotational state-changing collisions of C2H− and C2N− anions with He under interstellar and cold ion trap conditions: A computational comparison
PublikacjaWe present an extensive range of quantum calculations for the state-changing rotational dynamics involving two simple molecular anions that are expected to play some role in the evolutionary analysis of chemical networks in the interstellar environments, C2H− (X1Σ+) and C2N− (X3Σ−), but for which inelastic rates are only known for C2H−. The same systems are also of direct interest in modeling selective photo-detachment experiments...
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Scalable Route toward Superior Photoresponse of UV-Laser-Treated TiO2 Nanotubes
PublikacjaTitanium dioxide nanotubes gain considerable attention as a photoactive material due to chemical stability, photocorrosion resistance, or lowcost manufacturing method. This work presents scalable pulsed laser modification of TiO2 nanotubes resulting in enhanced photoactivity in a system equipped with a motorized table, which allows for modifications of both precisely selected and any-large sample area. Images obtained from scanning...
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Self-standing Nanoarchitectures
PublikacjaDespite there are structures invisible for the human eye, they mastered the world of advanced electronic devices, sensors, novel cosmetics or drugs. When the dimensions of the materials go down to the nanometres scale, their properties change dramatically comparing to the observable objects. Because of their tiny size, they gained the name of nanomaterials but simultaneously their importance has significantly grown up. Nanomaterials...
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Simulations of hydro-fracking in rock mass at meso-scale using fully coupled DEM/CFD approach
PublikacjaThe paper deals with two-dimensional (2D) numerical modelling of hydro-fracking (hydraulic fracturing) in rocks at the meso-scale. A numerical model was developed to characterize the properties of fluid-driven fractures in rocks by combining the discrete element method (DEM) with computational fluid dynamics (CFD). The mechanical behaviour of the rock matrix was simulated with DEM and the behaviour of the fracturing fluid flow...
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Synthesis and hydrogen evolving catalysis of a panchromatic photochemical molecular device
PublikacjaA dinuclear hydrogen evolution photocatalyst [(tbbpy)2Os(tpphz)PtI2](PF6)2 (tbbpy = 4,4′-tert-butyl-2,2′-bipyridine; tpphz = tetrapyrido[3,2-a:2′,3′-c:2′′,3′′-h:2′′′,3′′′-j]phenazine) is synthesized in order to make use of the broader range of visible light absorption mitigated by the osmium center. In a first step, the activity of the complex for hydrogen evolution is investigated by evaluating the role of different electron donors...
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The Hidden Ramsauer-Townsend Effect in Positron Scattering by Rare Gas Atoms
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The In-Depth Studies of Pulsed UV Laser-Modified TiO2 Nanotubes: The Influence of Geometry, Crystallinity, and Processing Parameters
PublikacjaThe laser processing of the titania nanotubes has been investigated in terms of morphology, structure, and optical properties of the obtained material. The length of the nanotubes and crystallinity, as well as the atmosphere of the laser treatment, were taken into account. The degree of changes of the initial geometry of nanotubes were checked by means of scanning electron microscopy, which visualizes both the surface and the cross-section....
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The Quantum Efficiency Roll-Off Effect in Near-Infrared Organic Electroluminescent Devices with Iridium Complexes Emitters
PublikacjaThe electroluminescence quantum efficiency roll-off in iridium(III)-based complexes, namely Ir(iqbt)2(dpm) and Ir(iqbt)3(iqbt=1 (benzo[b]thiophen-2-yl)-isoquinolinate, dpm=2,2,6,6-tetramethyl-3,5-heptanedionate) utilized as near-infrared emitters in organic light emitting diodes with remarkable external quantum efficiencies, up to circa 3%, 1.5% and 1%, are measured and analyzed. With a 5–6 weight % of emitters embedded...
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Theoretical and experimental study on scattering of low-energy electrons by dimethyl and diethyl ethers
PublikacjaWe report a joint theoretical and experimental investigation on low-energy electron scattering by dimethyl and diethyl ethers. The experimental elastic differential cross sections were measured at impact energies from 1 eV up to 30 eV and scattering angle range of 10◦ to 130◦. Theoretical elastic differential, integral and momentum-transfer cross sections are calculated at impact energies up to 30 eV, employing the Schwinger multichannel...
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Total cross section measurements for electron scattering from tin(IV) chloride (SnCl4)
PublikacjaTotal cross section for electron scattering from SnCl4 molecules has been measured for energies from 0.6 to 300 eV. Obtained results have been compared with total cross sections for electron scattering from other tetrachloride molecules: XCl4 where X=C, Si, Ge.
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Understanding the formation of metastable furan dication in collisions with ions
PublikacjaThis work relies on complementary theoretical and experimental studies of the processes induced by ion-furan collisions. Results of the Molecular Dynamics simulations and exploration of the energy profiles combined with coincidence mass spectrometry provide complete picture of the fragmentation of furan dication.
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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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Vacuum ultraviolet photoionization and ionic fragmentation of the isoxazole molecules
PublikacjaThe photofragmentation of the isoxazole molecules producing ionized atomic and molecular fragments was investigated in the photon energy range of 9e32 eV, using synchrotron radiation excitation combined with ion time-of-flight spectrometry. Twenty-one well resolved cations were identified in the mass spectra of the isoxazole, and their appearance energies were determined. The yield curves of these cations were obtained in the photon...
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VUV photofragmentation of the six-membered heterocyclic molecules containing oxygen
PublikacjaCancer is a significant public health concern worldwide, which results in millions of deaths each year. The standard cure routine for cancer is surgery, and nowadays, radiotherapy or a hadrontherapy. Depending on the type of cancer, patients may undergo additional treatment, including targeted therapy. A combination of radio- or hadron-therapy with proper drug treatment can inhibit the proliferation of cancer cells and thus can...
Rok 2019
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A correlation between electron-hole pair radii and magnetomodulation of exciplex fluorescence in electron donor-electron acceptor organic systems
PublikacjaElectric field dependencies of electromodulated photoluminescence and magnitudes of the magnetic-field effect on photoluminescence havebeen measured in vacuum-evaporated films of m-MTDATA [4,4',4"-tris(N-(3-methylphenyl)-N-phenylamino)triphenylamine]:bathophe-nanthroline, m-MTDATA:BCP (bathocuproine), as well as 4,4',4"-tris[2-naphthyl(phenyl)amino]triphenylamine:BCP. The Sano-Tachiya-Noolandi-Hong extension of standard Onsager...
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Application of two-dimensional intensity maps in high-accuracy polarimetry
PublikacjaWe propose the analysis of 2D intensity contour maps which is based on the optical transmission function for the polarizer-specimen-analyzer system. A small modification of the high-accuracy universal polarimeter (HAUP) technique was used to measure the intensity maps (HAUP maps) and determine the phase retardation, linear dichroism (LD) parameters, and multiple light reflection contribution in uniaxial crystals. We have performed...
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Calculation of Vibrational Resonance Raman Spectra of Molecules Using Quantum Chemistry Methods
PublikacjaThe understanding and interpretation of experimental resonance Raman (RR) spectra can strongly benefit from theoretical simulations. These can be achieved by combining quantum chemistry (QC) methods to calculate the electronic and vibrational molecular properties, together with appropriate models and approximations to compute the Raman intensities. This chapter presents the main and most commonly employed approaches to calculate...
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Charge density wave and large nonsaturating magnetoresistance in YNiC2 and LuNiC2
PublikacjaWe report a study of physical properties of two quasi-low-dimensional metals YNiC2 and LuNiC2 including the investigation of transport, magnetotransport, galvanomagnetic, and specific heat properties. In YNiC2 we reveal two subsequent transitions associated with the formation of weakly coupled charge density wave at TCDW=318K and its locking in with the lattice at T1=275K. These characteristic temperatures follow the previously...
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Charge Transfer, Complexes Formation and Furan Fragmentation Induced by Collisions with Low-Energy Helium Cations
PublikacjaThe present work focuses on unraveling the collisional processes leading to the fragmentation of the gas-phase furan molecules under the He+ and He2+ cations impact in the energy range 5–2000 eV. The presence of different mechanisms was identified by the analysis of the optical fragmentation spectra measured using the collision-induced emission spectroscopy (CIES) in conjunction with the ab initio calculations. The measurements of...
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Continuum wave functions for estimating the electric dipole moment: Calculation based on a multiconfiguration Dirac-Hartree-Fock approximation
PublikacjaThe multiconfiguration Dirac-Hartree-Fock method is employed to calculate the continuum electron wave functions, which are then used to estimate their contribution to the atomic electric dipole moment (EDM) of 129Xe. The EDM arises from (P,T)-odd electron-nucleon tensor-pseudotensor and pseudoscalar-scalar interactions, the nuclear Schiff moment, the interaction of the electron electric dipole moment with nuclear magnetic moments,...
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Cross sections for electron collision with pyridine [C5H5N] molecule
PublikacjaThe absolute grand -total cross section (TCS) for electron scattering from pyridine, C5H5N, molecules has been measured at impact energies from 0.6 to 300 eV in the linear electron-transmission experiment. The obtained TCS energy dependence appears to be typical for targets of high electric-dipole moment; the cross section generally decreases with rising energy, except for the 3–20 eV range, where a broad enhancement peaked near...
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Crossover from charge density wave stabilized antiferromagnetism to superconductivity in Nd1−xLaxNiC2 compounds
PublikacjaThe path from the charge density wave antiferromagnet NdNiC2 to the noncentrosymmetric superconductor LaNiC2 is studied by gradual replacement of Nd by La ions. The evolution of physical properties is explored by structural, magnetic, transport, magnetoresistance, and specific heat measurements. With the substitution of La for Nd, the Peierls temperature is gradually suppressed, which falls within the BCS mean-field relation for...
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Dissociative ionization dynamics of dielectric gas C3F7CN
PublikacjaFluoronitrile C3F7CN is a promising candidate for the replacement of SF6 dielectric gas in high-voltage insulation. We present a combined experimental and theoretical study on its ionization dynamics probed in the 0-100 eV energy range. We exploited the total ion collection technique to determine the absolute ionization cross section, mass spectrometry to determine the fragment branching ratios and ab initio nonadiabatic molecular...
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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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Elastic scattering of electrons from chloroform
PublikacjaWe present experimental and theoretical cross sections for elastic electron scattering from CHCl3. This is an important target because of its relevance to environmental chemistry and the plasma etching industry as a source of chlorine radicals. The experimental results were obtained at incident electron energies ranging from 0.5 to 800 eV in the 10deg-130deg scattering angle range. Theoretically, the scattering cross sections in...
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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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Electron collisions with X(CH3)4 molecules (X = C, Si, Ge)
PublikacjaAbsolute grand-total cross sections (TCSs) for electron scattering from tetramethylmethane [C(CH3)4], tetramethylsilane [Si(CH3)4], and tetramethylgermane [Ge(CH3)4] molecules have been measured at electron-impact energies extending from around 0.5 to 300 eV in the linear electron-transmission experiment. The measured TCS energy dependences show very pronounced broad enhancement, peaking near 5.5 eV for Si(CH3)4 and Ge(CH3)4 molecules...
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Electron energy-loss spectroscopy of excited states of the diazine molecules: Pyridazine
PublikacjaExcitation of the valence electronic states of the pyridazine molecules in the gas phase have been studied using the technique of electron energy-loss spectroscopy. Varying the electron scattering conditions, the residual electron energy and scattering angle, enabled the optically-allowed and -forbidden excitations to be differentiated. The measured energy-loss spectra enabled the vertical excitation energies of the observed states...
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Electron scattering from tin tetrachloride (SnCl4) molecules
PublikacjaAbsolute grand-total cross section (TCS) for electron scattering from a tin tetrachloride, SnCl4, molecule was measured at electron-impact energies ranging from 0.6 to 300 eV, in the linear electron-transmission experiment. The measured TCS energy dependence shows two very pronounced enhancements peaking near 1.2 eV and around 9.5 eV, separated with a deep minimum centered close to 3 eV. The low energy structure is attributed to...
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Entanglement of genuinely entangled subspaces and states: Exact, approximate, and numerical results
PublikacjaGenuinely entangled subspaces (GESs) are those subspaces of multipartite Hilbert spaces that consist only of genuinely multiparty entangled pure states. They are natural generalizations of the well-known notion of completely entangled subspaces, which by definition are void of fully product vectors. Entangled subspaces are an important tool of quantum information theory as they directly lead to constructions of entangled states,...
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Excitation of Non-Wave Modes by Sound of Arbitrary Frequency in a Chemically Reacting Gas
PublikacjaThe nonlinear phenomena in the field of high intensity sound propagating in a gas with a chemical reaction, are considered. A chemical reaction of A → B type is followed by dispersion and attenuation of sound which may be atypical during irreversible thermodynamic processes under some conditions. The first and second order derivatives of heat produced in the chemical reaction evaluated at the equilibrium temperature, density and...