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Search results for: physics
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Simple Physics-Based Analytical Formulas for the Potentials of Mean Force for the Interaction of Amino Acid Side Chains in Water. IV. Pairs of Different Hydrophobic Side Chains
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Simple Physics-Based Analytical Formulas for the Potentials of Mean Force for the Interaction of Amino Acid Side Chains in Water. 3. Calculation and Parameterization of the Potentials of Mean Force of Pairs of Identical Hydrophobic Side Chains
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Beyond the helium buffer: 12C−2 rotational cooling in cold traps with H2 as a partner gas: interaction forces and quantum dynamics
Publicationabstract = { The scattering cross-sections and corresponding rate coefficients for rotationally inelastic collisions of $^{12}$C$_2$^-$ ($^2 \Sigma_g^+$) with H$_2$ ($^1 \Sigma_g^+$) are presented over a broad range of cold-trap temperatures. They have been calculated using quantum scattering theory that employs a new ab initio potential energy surface. The rate coefficients for the inelastic processes in the anionic partner are...
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Physical properties of homogeneous TiO2films prepared by high power impulse magnetron sputtering as a function of crystallographic phase and nanostructure
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Effect of nitrogen doping on TiOxNythin film formation at reactive high-power pulsed magnetron sputtering
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Physical properties of homogeneous TiO2 films prepared by high power impulse magnetron sputtering as a function of crystallographic phase and nanostructure
PublicationOptical, photo-electrochemical, crystallographic and morphological properties of TiO2 thin films prepared by high power impulse magnetron sputtering at low substrate temperatures (<65 ◦C) without post-deposition thermal annealing are studied. The film composition-anatase, rutile or amorphous TiO2-is adjusted by the pressure (p ∼ 0.75-15 Pa) in the deposition chamber. The different crystallographic phases were determined with grazing...
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Effect of nitrogen doping on TiOxNy thin film formation at reactive high-power pulsed magnetron sputtering
PublicationThe paper is focused on a study of formation of TiOxNy thin films prepared by pulsed magnetron sputtering of metallic Ti target. Oxygen and nitrogen were delivered into the discharge in the form of reactive gases O2 and N2. The films were deposited by high-power impulse magnetron sputtering working with discharge repetition frequency f = 250 Hz at low (p = 0.75 Pa) and high (p = 10 Pa) pressure. The substrates were on floating...
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The influence of the thickness, recombination and space charge on the loss of photocurrent in organic semiconductors: an analytical model
PublicationWe propose an analytical model of the photocurrent efficiency dependence on the light intensity in organic semiconductors. The influence of the thickness of sample, space charge effects and recombination of charge on the loss of photocurrent has been considered. We demonstrate that the presented model is the enhancement of an analytical model reported recently by Rappaport et al (2005 J. Appl. Phys. 98 033714). The method to identify...
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Identification of yellow luminescence centers in Be-doped GaN through pressure-dependent studies
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Development of multilayer coatings for forming dies and tools of aluminium alloy from liquid state
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Influence of reactive oxygen species during deposition of iron oxide films by high power impulse magnetron sputtering.
PublicationIron oxide films were deposited using high power impulse magnetron sputtering (HiPIMS) of an iron cathode in an argon/oxygen gas mixture at different gas pressures (0.5~Pa, 1.5~Pa, and 5.0~Pa). The HiPIMS system was operated at a repetition frequency $f = 100$~Hz with a duty cycle of 1~\%. A main goal is a comparison of film growth during conventional and electron cyclotron wave resonance-assisted HiPIMS. The deposition plasma...
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A non-adiabatic wavepacket dynamical study of the low energy chargetransfer process in the S3+ + H collision
PublicationThe collisional system S3+ + H?S2+ + H+ has been studied using a time-dependent wavepacket methodologyin two-dimensions. Using available potential energy surfaces and coupling matrix elementsobtained from multireference ab initio calculations, five non-adiabatically coupled electronic states of1P symmetry have been included in the dynamical simulations. The collision has been studied in thelow energy regime of 1-10 eV. The wavepacket...
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Photovoltaic properties of cadmium selenide–titanyl phthalocyanine planar heterojunction devices
PublicationPhotovoltaic phenomenon taking place in cadmium selenide (CdSe)/titanyl phthalocyanine (TiOPc) planar heterojunction devices is described. Mechanisms of free charge carrier generation and their recombination in the dark and under illumination are analyzed, chosen photovoltaic parameters are presented.
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Anion–water interactions of weakly hydrated anions: molecular dynamics simulations of aqueous NaBF4 and NaPF6
PublicationIn aqueous ionic solutions, both the structure and the dynamics of water are altered dramatically with respect to the pure solvent. The emergence of novel experimental techniques makes these changes accessible to detailed investigations. At the same time, computational studies deliver unique possibilities for the interpretation of the experimental data at the molecular level. Here, using molecular dynamics simulations, we demonstrate...
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X-ray photoelectron spectroscopy, Raman and photoluminescence studies on formation of defects in Cu:ZnO thin films and its role in nonlinear optical features
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Development of linear projecting in studies of non-linear flow. Acoustic heating induced by non-periodic sound
PublicationRównanie bilansu energii rozkłada się na sumę dwóch równań, opisujących dynamikę fali akustycznej i wywołanego przez nią ogrzewania. Nowe równanie dynamiczne stosowane jest dla opisu dźwięku nieokresowego zarówno jak okresowego. Rozpatruje się geometrię wiązkową. Omówiane są poszczególne udziały przewodnictwa cieplnego i lepkości w ogrzewaniu akustycznym. Równania stanu ośrodka propagacji są uwzględniane w najbardziej ogólnej postaci.
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Fidelity thresholds in single copy entanglement distillation
PublicationRozważono różne aspekty destylacji zaszumionego splątania oraz pewne stowarzyszone efekty w kwantowej korekcji błędów. W szczególności pokazano, że w przypadku gdy dozwolona jest komunikacja klasyczna w jedną stronę oraz współdzielony stan kwantowy dxd nie jest czysty, to istnieje próg dla optymalnego ułamka F stanu, który może być otrzymany w procesie destylacji na jednej kopii. Wynika z tego, że aby otrzymać (probabilistycznie)...
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Electromodulation of photoluminescence in vacuum-evaporated films of bathocuproine
PublicationElectric field-modulated photoluminescence (EML) was measured in vacuum-evaporated films of bathocuproine (BCP), electron-transporting material commonly used in organic light-emitting diodes (OLEDs). The external electric field of 106 V/cm strength decreases long-wavelength photoluminescence (PL) up to 10% but the same effect on short-wavelength PL is above one order of magnitude smaller. The distinctive difference between the...
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Spectroscopic properties of Rhodamine B entrapped in hybrid porous nanolayers at high dye concentration
PublicationThe preparation procedure and characterization of Rhodamine B entrapped in zirconia, silica and mixed silica–zirconia nanolayers is described. The nanolayers were produced by the sol–gel spin-coating technique. The pronounced effect of the dye concentration on the absorption and fluorescence spectra as well as on time-resolved fluorescence spectra was found. The results show that the aggregation of Rhodamine B is stronger in silica...
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Predicting the viscosity and electrical conductivity of ionic liquids on the basis of theoretically calculated ionic volumes
PublicationSelected physical properties of the ionic liquids might be quantitatively predicted based on the volumes of the ions these systems are composed of. It is demonstrated that the ionic volumes calculated using relatively simple theoretical quantum chemistry methods can be utilised to estimate the viscosities and electrical conductivities of various commonly used ionic liquids. The fitting formulas of the exponential form are offered...
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A new simple approach to prepare rare-earth metals-modified TiO2 nanotube arrays photoactive under visible light: Surface properties and mechanism investigation
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Influence of ice concentration and floe-size distribution on cluster formation in sea-ice floes
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Multi-armed jets: A subset of the blooming jets
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Large eddy simulation predictions of absolutely unstable round hot jet
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Two-electron entanglement in a two-dimensional isotropic harmonic trap: Radial correlation effects in the low density limit
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The von Neumann entanglement entropy for Wigner-crystal states in one dimensional N-particle systems
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Entanglement in S states of two-electron quantum dots with Coulomb impurities at the center
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Bipartite correlations in quantum resonance states
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Optimized configuration interaction approach for trapped multiparticle systems interacting via contact forces
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Two-electron entanglement in elliptically deformed quantum dots
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Comment on “Entanglement of two interacting bosons in a two-dimensional isotropic harmonic trap” [Phys. Lett. A 373 (2009) 3833]
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Radiation-induced Changes in Levels of Selected Proteins in Peripheral Blood Serum of Breast Cancer Patients as a Potential Triage Biodosimeter for Large-scale Radiological Emergencies
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A walk Around Gdańsk for Physicists
PublicationI provide a guide to Gdańsk (Danzig) and some of its suburbs, focusing on sites of particular interest to physicists. These include the Town Hall with the old Gdańsk standards of length at its entrance, the solar dial of 1588 on its corner, and its bell tower; the Naturalists Society; the medieval harbor crane; the medieval astronomical clock in St. Mary's Church; the late nineteenth-century lighthouse and time ball; and sites...
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The electronic structure of p-xylylene and its reactivity with vinyl molecules
PublicationThe electronic states of p-xylylene molecule were described at the multi-configurational CASSCF/MRMP2 level of theory. The closed-shell singlet state representing the quinoidal p-xylylene molecule was pre-dicted to be the ground electronic state whereas the triplet (benzoidal) and the singlet open-shell states were found to be much higher in energy (by 159 and 423 kJ/mol, respectively, as found at the CASSCF(8,8)/6-31+G(d) level)....
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Quantum corections to SG equation solutions and applications
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Quasirelativistic potential energy curves and transition dipole moments of NaRb
PublicationWe report on extensive calculations of quasi-relativistic potential energy curves and, for the first time, transition dipole moments including spin-orbit and scalar-relativistic effects of the NaRb molecule. The calculated curves of the 0+, 0-, 1, 2 and 3 molecular states correlate for large internuclear separation with the fourteen lowest atomic energies up to the Na(3s ^2S_{1/2}) + Rb(7s ^2S_{1/2}) atomic limit. Several new features...
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Threshold photoelectron spectra of tetrahydrofuran over the energy range 9-29eV
PublicationWykonano pomiary fotoelektronowe widm progowych tetrahydrofuranu C4H8O w zakresie energii fotonów 9-29 eV przy użyciu promieniowania synchrotronowego. Zaobserwowano nowe pasma jonizacyjne w zakresie energii 16-26eV
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Superconductivity in CuxTiSe2
PublicationOdkryty został nowy związek nadprzewodzący o wzorze chemicznym CuxTiSe2. Jest to pierwszy znany przypadek związku z występującym CDW (fale gęstości ładunku), gdzie w wyniku domieszkowania chemicznego wzbudzany jest stan nadprzewodnictwa. Dyskutowany jest diagram fazowy dla całego zakresu domieszkowania miedzi: 0 < x < 0.10.
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Rotationally invariant bipartite states and bound entanglement
PublicationW pracy rozważano stany kwantowe niezmiennicze na działanie grupy SO(3). Pokazano, że w przypadku, gdy pierwszy podukład ma parzysty wymiar większy lub równy cztery oraz drugi podukład ma wymiar dowolny, większy niż pierwszy to pośród takich stanów zawsze istnieje splątanie związane.
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Exploring of electronic structure of nitrogen-modified TiO2 photocatalysts through photocurrent and surface photovoltage studies
PublicationPrzeprowadzono pomiary fotonapięcia powierzchniowego i fotoprądu w obecności różnych reduktorów celem otrzymania eksperymentalnego potwierdzenia położenia pasma walencyjnego w strukturze elektronowej tlenku tytanu(IV) modyfikowanego azotem. Zaobserwowano silne sprzężenie poziomów N 2p i O 2p, którego konsekwencją jest powstanie nowego pasma walencyjnego
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Internal electric fields in vacuum-evaporated films as studied by electroabsorption spectroscopy
PublicationMierzono sygnały elektroabsorpcji na I-szej harmonicznej częstości przykładanego sinusoidalnego pola elektrycznego w komórkach sandwiczowych Al/warstwa organiczna/Al. Wyznaczono elektryczne pola wewnętrzne (Fi) dla materiałów stosowanych w organicznych diodach elektroluminescencyjnych (TPD, TAPC, MTDATA, QAC, Alq3, Ir(ppy)3, PtOEP). Mechanizm powstawania pól Fi powiązano z pułapkowaniem ładunku w obszarach przyelektrodowych.
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Electroabsorption in triphenylamine-based hole-transporting materials for organic light-emitting diodes
PublicationMetodą elektroabsorpcji (EA) badano stany wzbudzenia elektronowego w próżniowo naparowanych warstwach diamin (TPD, TAPC) i dendrymeru aminowego m-MTDATA. Widma EA amin złożonych porównano z widmem monomeru trifenylaminy (TPA). Kształt widm EA świadczy o obecności zdegenerowanych i quasi-zdegenerowanych stanów elektronowych.
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Electromodulation of photoluminescence in vacuum-evaporated films of fac-tris(2-phenylpyridine)iridium(III)
PublicationZaobserwowano silne wygaszenie fosforescencji w komórkach sandwiczowych Al/Ir(ppy)3/Al/kwarc, które w polu elektrycznym o natężeniu 3 MV/cm dochodzi do 30%. Mechanizm wygaszania jest związany z dysocjacją ekscytonów trypletowych pod działaniem zewnętrznego pola elektrycznego w obszarach zdefektowanych sieci krystalicznej.
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Molecular properties with dual basis set methods
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Simplified simulation technique of rotating, induction heated, calender rolls for study of temperature field control
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Comparison of two approaches to potential of mean force calculations of hydrophobic association: particle insertion and weighted histogram analysis methods
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CBM Collaboration
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Unusual interfacial phenomena at a surface of fullerite and carbon nanotubes
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Influence of the substituent on amide nitrogen atom of N-acetyl tyrosine on interactions with β-cyclodextrin
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Synergistic catalysis of Fe3O4/CuO bimetallic catalyst derived from Prussian blue analogues for the efficient decomposition of various organic pollutants
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