Filters
total: 1587
-
Catalog
displaying 1000 best results Help
Search results for: dirac one-electron atom
-
Collisions of electrons with trimethylphosphine [P(CH3)3] molecules
PublicationPrzedstawiono wyniki pomiarów całkowitych przekrojów czynnych na rozpraszanie elektronów na molekułach P(CH3)3. Pomiary przeprowadzono w przedziale energii od 0,4 do 400eV. Obliczono przekroje czynne na rozpraszanie sprężyste i na jonizację. Wyniki porównano z przekrojami czynnymi dla innych związków zawierających fosfor jako atom centralny oraz grupę metylową.
-
SEM images of SFM, LSFM and SFMNb in as-prepared state and reduced
Open Research DataThis dataset contains SEM images taken for pristine strontium ferrite molybdate, as well as ones doped with lanthanum or niobium. Materials were characterized in powder, under high vacuum in secondary electron mode. The images are divided into folders for as-prepared samples and reduced (H2, 800 deg, 4 h) ones.
-
Nanotubular oxide layer formed on helix surfaces of dental screw implants - SEM examination
Open Research DataThe samples used for the research had the shape of a helix with a metric thread, with their geometry imitating a dental implant. The oxide layer was produced by a standard electrochemical method in an environment of 1M H3PO4 + 0.3 % HF for 20 min, at a constant voltage of 30 V. The oxidized samples were analyzed with a scanning electron microscope.
-
Theory versus experiment for vacuum Rabi oscillations in lossy cavities
PublicationThe 1996 experiment by Brune et al. [Phys. Rev. Lett. 76, 1800 (1996)] on vacuum Rabi oscillation is analyzed by means of alternative models of atom-reservoir interaction. Agreement with experimental Rabi oscillation data can be obtained if one defines jump operators in the dressed-state basis and takes into account thermal fluctuations between dressed states belonging to the same manifold. Such low-frequency transitions could...
-
Exemplary SEM images of polished cross sections of symmetrical cell with SrTi0.50Fe0.50O3-d electrodes and CGO-20 substrate sintered at 800 °C
Open Research DataThis dataset contains images of polished cross section of symmetrical cell with SrTi0.50Fe0.50O3-d electrodes and CGO-20 substrate sintered at 800 °C. Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope (SEM) with an accelerating voltage of 12 kV in a high vacuum mode.
-
Two-photon double ionization of atoms in attosecond x-ray radiation fields
PublicationWe consider two-photon double ionization of helium with 100, 200, and 400 eV excess energy for the two ejected electrons, corresponding to photon energies of 89.5, 139.5, and 239.5 eV, respectively. We focus on the case of ultrashort pulses (two oscillations of the field) and develop an approach to calculate the two-photon transition matrix elements within the lowest order of the time-dependent perturbation theory. One of the...
-
Endohedral gallide cluster superconductors and superconductivity in ReGa5
PublicationWe present transition metal-embedded (T@Gan) endohedral Ga clusters as a favorable structural motif for superconductivity and develop empirical, molecule-based, electron counting rules that govern the hierarchical architectures that the clusters assume in binary phases. Among the binary T@Gan endohedral cluster systems, Mo8Ga41, Mo6Ga31, Rh2Ga9, and Ir2 Ga9 are all previously known superconductors. The well-known exotic superconductor...
-
(3,5-Dimethylpyridine)bis(tri-tert-butoxysilanethiolato)cadmium(II)
PublicationTytułowy związek jest molekularnym, heteroleptycznym tiolanem kadmu zawierającym jako dodatkowy ligand 3,5-dimetylopirydynę. Jon kadmu(II) znajduje się w centrum bipiramidy o podstawie trójkątnej, utworzonej przez 5 atomów - 2 atomy siarki, 2 atomy tlenu i jeden atom azotu. Między cząsteczkami kompleksu upakowanymi w krysztale nie ma oddziaływań innych niż oddziaływania van der Waalsa.
-
Magnetizabilities of relativistic hydrogenlike atoms in some arbitrary discrete energy eigenstates
PublicationWe present the results of numerical calculations of magnetizability of the relativistic hydrogenlike atoms. Exploiting the analytical formula for $\chi$ we have found the values of the magnetizability for the ground state and for the first and the second set of excited states of the atom. The results for ions with the atomic number $0
-
Bis(tetra-n-butylammonium) tetrabromocadmate(II) toluene disolvate
PublicationW pracy opisano strukturę tetrabromokadmianu tetrabutyloamoniowego będącego solwatem toluenowym. W kompleksowym anionie tego związku atom kadmu jest koordynowany przez cztery jony bromkowe tak, że cały układ przyjmuje kształt tetraedru z wszystkimi kątami Br-Cd-Br równymi 109.8o. Długość wiązania Cd-Br wynosząca 2.591Å jest typowa dla układów zawierających jako anion [CdBr4]2-.
-
Triaquabis(tri-tert-butoxysilanethiolato)barium
PublicationReakcja metalicznego baru z tri-tert-butoksysilanotiolem w obecności śladów wody daje [Ba(C12H27O3SSi)2(H2O)3]. Atom baru koordynowany jest przez dwie reszty silanotiolanowe w sposób chelatujący (jako O,S-ligandy) oraz przez atomy tlenu z trzech cząsteczek wody, tworząc międzycząsteczkową sieć wiązań wodorowych typu O--H...O i O--H...S.
-
Dissociation of furan-2-carboxylic acid by low energy electrons
PublicationElectron attachment to molecular target can lead to a variety of negative fragment ions. We experi- mentally probe the main dissociative electron attachment channels in furan-2-carboxylic acid (C3H3O2 − COOH) - a molecular target composed of two important structural units: a furan ring and a carboxylic group. In our studies we utilise nearly mono-energetic electrons at electron energies from 0 eV up to 15 eV. Our detection setup...
-
New Peptide Based Fluconazole Conjugates with Expanded Molecular Targets
PublicationInfections of Candida spp. etiology are frequently treated with azole drugs. Among azoles, the most widely used in the clinical scenario remains fluconazole (FLC). Promising results in treatment of dangerous, systemic Candida infections demonstrate the advantages of combined therapies carried out with combinations of at least two different antifungal agents. Here, we report five conjugates composed of covalently linked FLC and...
-
Topography and microstructure of phosphate-iron glasses containing niobium and titanium
Open Research DataThe topography and microstructure of phosphate-iron glasses containing niobium and titanium were investigated by the means of X-ray diffraction (XRD), scanning electron microscopy (SEM). Glass samples of the composition of 35P2O5-30Fe2O3-(35-x)Nb2O5-xTiO2 where x= 0; 7.5 and 15 (in %mol) were prepared by the conventional melt quenching technique. Appropriate...
-
Physics-Based Coarse-Grained Modeling in Bio- and Nanochemistry
PublicationCoarse-grained approaches, in which groups of atoms are represented by single interaction sites, are very important in biological and materials sciences because they enable us to cover the size- and time-scales by several orders of magnitude larger than those available all-atom simulations, while largely keeping the details of the systems studied. The coarse-grained approaches differ by the scheme of reduction and by the origin...
-
TEM micrographs of V2O5 nanostructures
Open Research DataThe DataSet contains the TEM images of V2O5 nanostructures obtained by the sol-gel method.
-
Oxolane Ammonium Salts (Muscarine-Like)—Synthesis and Microbiological Activity
PublicationCommercially available 2-deoxy-D-ribose was used to synthesize the appropriate oxolane derivative—(2R,3S)-2-(hydroxymethyl)oxolan-3-ol—by reduction and dehydration/cyclization in an acidic aqueous solution. Its monotosyl derivative, as a result of the quaternization reaction, allowed us to obtain eight new muscarine-type derivatives containing a quaternary nitrogen atom and a hydroxyl group linked to the oxolane ring. Their structure...
-
Ammine(2-ethylpyridine-κN)bis(tri-tert-butoxysilanethiolato-κS)cobalt(II)
PublicationTytułowy związek [Co(C12H27O3SSi)2(C7H9N)(NH3)] został otrzymany w reakcji dimerycznego amoniakalnego tri-tert-butoksysilanotiolanu kobaltu(II) z 2-etylopirydyną. Atom kobaltu w otrzymanym związku jest koordynowany przez dwa atomy siarki, jedną resztę 2-etylopirydyny i jedną cząsteczkę amoniaku. Dzięki specyficznemu przestrzennemu ustawieniu ligandów, dodatkowo tworzy się wiązanie wodorowe wewnątrz cząsteczkowe N-H - S
-
Microstructure of cross-sections of samples after laser treatment for the article entitled "Mechanical and corrosive properties of Ti13Nb13Zr alloy subjected to laser treatment with MWCNTs coatings"
Open Research Data -
Influence of bio-polyols with different molecular weight on properites of PUR-PIR foams
Open Research DataThis work attempts to validate the possibility of replacing petrochemical polyols with previously synthesized bio-polyols and their impact on the structure and properties of rigid polyurethane-polyisocyanurate (PUR-PIR). The influence of bio-polyols addition on foam properties was investigated by mechanical testing, Fourier transform infrared spectroscopy...
-
SEM images of cross sections of porous Sr0.86Ti0.65Fe0.35O3 oxygen electrodes sintered at different temperatures
Open Research DataThis dataset contains cross sectional images of the porous Sr0.86Ti0.65Fe0.35O3 oxygen electrodes symmetric cells samples interface. Here are presented images of electrodes sintered at 950 °C, 1000 °C and 1050 °C. Images were obtained using a FEI Quanta FEG 250 Scanning Electron Microscope (SEM) with an accelerating voltage of 10 kV in a high vacuum...
-
SEM micrographs of Ti tooth implant corrosion
Open Research DataThe dataset contains micrographs made with a scanning electron microscope (SEM) Hitachi S-3400N of the tooth implant removed after inflammation. The inflammation was induced by the increased corrosion rate of the titanium screw. The reason for the corrosion to occur was the appearance of the concentration cell of different aeration for various areas...
-
Inhibition of impurities formation in the synthesis of N-alkyltheobromines stimulated by microwave irradiation. Cationic and anionic response of membrane electrodes
PublicationN-Alkyltheobromine (1-9) derivatives were obtained by reacting theobromine with appropriate alkyl halide under microwave irradiation at 100-150 W and by conventional synthesis. Formation of by-products of oxygen atom alkylation and 1-N-alkyltheobromine ring opening were considered. The presented compounds 1-5 have been studied as ion carriers in ion-selective membrane electrodes. Selectivity of these membranes was studied towards...
-
Bis(diethylamido-[kappa]N)(diethylamine-[kappa]N)bis(2,6-diisopropylphenylamido-[kappa]N)zirconium(IV)
PublicationIn the title compound, [Zr(C12H18N)2(C4H10N)2(C4H11N)] or [Zr(HNC6H3iPr2)2(NEt2)2(HNEt2)], which was obtained by the reaction of Zr(NEt)4 with iPr2C6H3NH2, the Zr IV atom is in a trigonal–bipiramidal geometry in which the N atoms from two iPr2C6H3NH and one NEt2 ligand occupy the equatorial positions, and the N atoms of an NEt2 and an Et2NH ligand occupy the apical positions. An intramolecular N—HN contact occurs. There are two...
-
The structure of vanadate glasses containing BaTiO3.
Open Research DataThe structure of vanadate glasses doped with BaTiO3 was measured by SEM technique. Samples of the composition of x[BaO,TiO2]–(80 − x)V2O5–20Bi2O3 where x = 5, 10 and 15 in mol% were prepared by a conventional melt quenching technique. The melting was performed in alumina crucibles at the temperature of 1273 K–1373 K. The melts were poured on a preheated...
-
XPS (X-ray photoelectron spectroscopy) survey spectra of CPMD and CPMH
Open Research DataXPS (X-ray photoelectron spectroscopy) survey spectra of CPMD and CPMH. XPS spectra were obtained using Al Kɑ (hv=1486.6 eV) radiation with a Prevac system equipped with a Scienta SES 2002 electron energy analyzer operating at constant transmission energy (Ep=50 eV). Sample abbreviations (CPMD, CPMH) are in agreement with the markings used in the linked...
-
SEM images of symmetrical cell interface with SrTi0.30Fe0.70O3-d electrode and CGO-20 substrate in function of sintering temperature
Open Research DataThis dataset contains images of polished cross section of symmetrical cell interface with SrTi0.30Fe0.70O3-d electrode and CGO-20 substrate in function of sintering temperature (800 °C, 900°C and 1000 °C) . Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope (SEM) with an accelerating voltage...
-
SEM images of symmetrical cell interface with SrTi0.65Fe0.35O3-d electrode and CGO-20 substrate in function of sintering temperature
Open Research DataThis dataset contains images of polished cross section of symmetrical cell interface with SrTi0.65Fe0.35O3-d electrode and CGO-20 substrate in function of sintering temperature (800 °C, 900°C and 1000 °C) . Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope (SEM) with an accelerating voltage...
-
SEM images of symmetrical cell interface with SrTi1-xFexO3-d electrodes and CGO-20 substrate sintered at 800 °C
Open Research DataThis dataset contains images of polished cross section of symmetrical cell interface with SrTi1-xFexO3-d (x=0.35; 0.50; 0..70) electrodes and CGO-20 substrate sintered at 800 °C. Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope (SEM) with an accelerating voltage of 12 kV in a high vacuum...
-
SEM images of symmetrical cell interface with SrTi0.50Fe0.50O3-d electrode and CGO-20 substrate in function of sintering temperature
Open Research DataThis dataset contains images of polished cross section of symmetrical cell interface with SrTi0.50Fe0.50O3-d electrode and CGO-20 substrate in function of sintering temperature (800 °C, 900°C and 1000 °C) . Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope (SEM) with an accelerating voltage...
-
The XAS spectra of O-K edges, M-L edges and Ce-M edges in Ce0.9M0.1O2
Open Research DataThe dataset consists of XAS spectra of O-K edges, M-L edges of Ce0.9M0.1O2 (where M=Mn, Fe, Co, Ni, Cu) synthesised by reverse microemulsion method. XAS spectra were collected at PIRX beamline in SOLARIS National Synchrotron Radiation Centre. Measurements were perfomed under ultra high vacuum in total electron yield (TEY) mode.
-
Badanie procesów odpowiedzialnych za powstawanie nanostruktur w metodzie FEBID (focused electron beam induced deposition).
ProjectsProject realized in Faculty of Applied Physics and Mathematics according to 0189/DIA/2016/45 agreement from 2016-11-21
-
The supramolecular organization of self-assembling chlorosomal bacteriochlorophyll c, d, or e mimics
PublicationBacteriochlorophylls (BChls) c, d, and e are the main light-harvesting pigments of green photosynthetic bacteria that self-assemble into nanostructures within the chlorosomes forming the most efficient antennas of photosynthetic organisms. All previous models of the chlorosomal antennae, which are quite controversially discussed because no single crystals could be grown so far from these organelles, involve a strong hydrogen-bonding...
-
SEM and Raman studies B:CNWs and BDD electrode used for electrochemical paraquat determination
Open Research DataThe dataset contains the scanning electron micrographs (SEM) and Raman spectra of B:CNWs and BDD samples deposited by MW-PECVD. SEM was used to characterise the morphology of BDD and B:CNW. In contrast, RAMAN was used to reveal the main differences in the crystalline structure of BDD and B:CNWs.
-
Pressure effects on the electronic structure and superconductivity of (TaNb)0.67(HfZrTi)0.33 high entropy alloy
PublicationEffects of pressure on the electronic structure, electron-phonon interaction, and superconductivity of the high entropy alloy ( TaNb ) 0.67 ( HfZrTi ) 0.33 are studied in the pressure range 0–100 GPa. The electronic structure is calculated using the Korringa-Kohn-Rostoker method with the coherent potential approximation. Effects of pressure on the lattice dynamics are simulated using the Debye-Grüneisen model and the Grüneisen...
-
Reactivity of triphosphinoboranes towards H3B·SMe2: access to derivatives of boraphosphacycloalkanes with diverse substituents
PublicationTriphosphinoboranes activated the B–H bond in the BH3 molecule without any catalysts at room temperature. Hydroboration reactions led to boraphosphacyloalkanes with diverse structures. The outcomes of reactions depend on the size of the phosphanyl substituent on the boron atom of the parent triphosphinoborane, where derivatives of boraphosphacyclobutane and boraphosphacyclohexane were obtained. Furthermore, the precursor of triphosphinoboranes,...
-
Tlenek grafenu i redukowany tlenek grafenu
PublicationGrafen to alotropowa odmiana węgla o grubości jednego atomu. Charakteryzuje się niezwykłą wytrzymałością mechaniczną. W porównaniu z diamentem moduł Younga grafenu (określający sprężystość materiału) jest około 1000 razy większy. Każdy atom węgla w grafenie posiada cztery elektrony walencyjne– trzy z nich biorą udział w tworzeniu wiązań kowalencyjnych z sąsiednimi atomami, ostatni zaś tworzy chmurę zdelokalizowanych elektronów...
-
Elektryczne i magnetyczne statyczne podatności multipolowe jednoelektronowego atomu Diraca w stanie podstawowym
PublicationW rozprawie rozważono relatywistyczny atom jednoelektronowy w stanie podstawowym umieszczony w statycznym multipolowym polu elektrycznym i magnetycznym. Wykorzystano rachunek zaburzeń, wraz z rozwinięciem sturmowskim uogólnionej funkcji Greena-Diraca-Coulomba [R. Szmytkowski, JPhys. B 30 (1997) 825; errata 30 (1997) 2747], co umożliwiło wyznaczenie analitycznych wyrażeń dla podatności multipolowych pól dalekich i pól bliskich....
-
Validation of polyurethane-wood composites properties
Open Research DataThis study focuses on the development of the PU-WC manufacturing method, the determination of properties of this type of composite, and the indication of its potential application. The mechanical properties of PU-WC were characterized by flexural tests. To determine the thermal properties, dynamic mechanical analysis (DMA) and thermogravimetric analysis...
-
Superconductivity in LiGa2Ir Heusler type compound with VEC = 16
PublicationPolycrystalline LiGa2Ir has been prepared by a solid state reaction method. A Rietveld refnement of powder x-ray difraction data confrms a previously reported Heusler-type crystal structure (space group Fm-3m, No. 225) with lattice parameter a= 6.0322(1) Å. The normal and superconducting state properties were studied by magnetic susceptibility, heat capacity, and electrical resistivity techniques. A bulk superconductivity with...
-
Interactions of positrons with atoms and molecules
PublicationThe positron is the antiparticle of the electron. It has the same mass as the electron, but opposite charge. The understanding of the interactions of positrons with normal matter, like atoms and molecules, is of interest in various scientific fields, like nuclear medicine, plasma physics and astronomy. In this talk we will give a short introduction to some theoretical methods to describe the interactions of positrons with atoms...
-
Strong-coupling superconductivity of SrIr2 and SrRh2 : Phonon engineering of metallic Ir and Rh
PublicationExperimental and theoretical studies on superconductivity in SrIr2 and SrRh2 Laves phases are presented. The measured resistivity, heat capacity, and magnetic susceptibility confirm the superconductivity of these compounds with Tc = 6.07 and 5.41 K, respectively. Electronic structure calculations show that the Fermi surface is mostly contributed by 5d (4d) electrons of Ir (Rh), with Sr atoms playing the role of electron donors....
-
Preparation and characterisation of visible light responsive iodine doped TiO2 electrodes
PublicationPraca przedstawia charakterystykę domieszkowanego jodem ditlenku tytanu (I-TiO2) otrzymanego na drodze hydrotermicznej syntezy, gdzie prekursor stanowiły komplesy tytanu (IV) z ligandami zawierającymi atom jodu. Struktura nowego materiału została opisana za pomocą technik XPS, XRD, UV-vis i FT-IR-ATR. Badania te potwierdziły, że otrzymany proszek I-TiO2 ma zmniejszoną przerwę energetyczną. Praca prezentuje również badania elektrochemiczne...
-
(Di-tert-butylmethylphosphane)(η2-di-tert-butylphosphanylphosphinidene)(triphenylphosphane)platinum(0)
PublicationStruktura krystaliczna tytułowego związku, [(Ph3P)(tBu2PMe)Pt(η2-tBu2PP)], zawiera cztery cząsteczki w części niezależnej nieznacznie różniące się konformacjami. Odległości P-P w ligandzie tBu2PP są zbliżone dla wszystkich czterech cząsteczek [2.0661(13)-2.0678(13)A˚]. Odległości te, wskazują na wielokrotny charakter wiązania P-P w ligandzie tBu2PP. Atom platyny w kompleksie wykazuje koordynację płaską kwadratową. Prezentowana...
-
The structure of vanadate glass-ceramics containing BaTiO3.
Open Research DataThe structure of vanadate glass-ceramics doped with BaTiO3 was measured by SEM technique. Samples of the composition of x[BaO,TiO2]–(80 − x)V2O5–20Bi2O3 where x = 5, 10 and 15 in mol% were prepared by a conventional melt quenching technique. The melting was performed in alumina crucibles at the temperature of 1273 K–1373 K. The melts were poured on...
-
TEM micrographs of ammonium vanadate nanocrystals
Open Research DataThe DataSet contains the TEM images of ammonium vanadate nanobelts obtained by the hydrothermal method with different conditions. The results show that the microstructure of an ammonium vanadate single nanobelt dependent on reaction condition.
-
SEM images of symmetrical cell interface with Sr1.05Ti0.30Fe0.70O3-d electrodes and CGO-20 substrate sintered at 800 °C, 900 °C and 1000 °C
Open Research DataThis dataset contains images of polished cross section of symmetrical cell interface with Sr1.05Ti0.30Fe0.70O3-d electrodes and CGO-20 substrate sintered at three different temperatures 800 °C, 900 °C and 1000 °C. Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope (SEM) with an accelerating...
-
SEM images of symmetrical cell interface with Sr1.00Ti0.30Fe0.70O3-d electrodes and CGO-20 substrate sintered at 800 °C, 900 °C and 1000 °C
Open Research DataThis dataset contains images of polished cross section of symmetrical cell interface with Sr1.00Ti0.30Fe0.70O3-d electrodes and CGO-20 substrate sintered at three different temperatures 800 °C, 900 °C and 1000 °C. Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope (SEM) with an accelerating...
-
Adiabatic potential energy curves of the singlet Pi and Delta gerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Pi and Delta gerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries singlet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
-
Adiabatic potential energy curves of the triplet Sigma ungerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the five excited states of the symmetry triplet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...