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Search results for: ATOMIC MONOLAYER
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Morpho-chemical characterization and source apportionment of potentially toxic metal(oid)s from school dust of second largest populous city of Pakistan
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The Influence of Antitumor Unsymmetrical Bisacridines on 3D Cancer Spheroids Growth and Viability
PublicationThe culture of 3D spheroids is a promising tool in drug development and testing. Recently, we synthesized a new group of compounds, unsymmetrical bisacridines (UAs), which exhibit high cytotoxicity against various human cell lines and antitumor potency against several xenografts. Here, we describe the ability of four UAs—C-2028, C-2041, C-2045, and C-2053—to influence the growth of HCT116 and H460 spheres and the viability of HCT116...
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Bis(di-n-propylamine-κN)bis(tri-tert -butoxysilanethiolato-κS)chromium(II)
PublicationAtom chromu w tytułowym kompleksie jest czterokrotnie koordynowany: przez dwa atomy siarki grup tri-tert-butoksysilanotiolanowych oraz dwa atomy azotu z dwóch cząsteczek di-n-propyloaminy. Atom Cr leży w centrum inwersji w pozycji Wyckoffa a (1/2, 1/2, 1/2).
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Stark-induced magnetic anapole moment in the ground state of the relativistic hydrogenlike atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublicationZnaleziono magnetyczny moment anapolowy indukowany w stanie podstawowym relatywistycznego atomu jednoelektronowego przez zewnętrzne stałe, słabe, jednorodne pole elektryczne. Podano wyrażenie analityczne dla polaryzowalności anapolowej takiego atomu. Obliczenia wykonano, stosując rozwinięcie sturmowskie uogólnionej funkcji Greena-Diraca-Coulomba.
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Non-adiabatic coupling elements between the diatomic silver anion and neutral silver dimer plus continuum electron
Open Research DataThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Dissociative photo-double-ionization of the isoxazole molecules
PublicationThe five-membered heterocyclic rings are incorporated into a wide variety of structures that play a vital role in many biochemical processes. In particular, the isoxazole molecule appears in many bioactive compounds due to its unique ring structure that consists of one oxygen atom and one nitrogen atom at adjacent positions. The unique atomic composition and bond arrangement of isoxazole imply its specific electronic properties...
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Comparison of 2D and 3D culture models in the studies of the biological response induced by unsymmetrical bisacridines in cancer cells
PublicationMulticellular tumor spheroids are a good tool for testing new anticancer drugs, including those that may target cancer stem cells (CSCs), responsible for cancer progression, metastasis, and recurrence. Therefore, following the initial evaluation of the impact of antitumor unsymmetrical bisacridines (UAs) on lung and colon cancer cells using traditional monolayer cultures, I extended my investigations and applied the spherical model....
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Conformation Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues
PublicationRodzina chiralnych cyklicznych oksamidów została otrzymana przez kondensację optycznie czynnych 1,2-diamin ze szczawianem dietylu. Tionowanie produktów odczynnikiem Lawessona doprowadziło do chiralnych 2,3-dipiperazynodionów. Geometrie cząsteczkowe badano z użyciem obliczeń kwantowo-mechanicznych DFT i porównano z wynikami analizy krystalograficznej. Sześcioczłonowy pierścień heterocykliczny przyjmuje konformację półkrzesłową,...
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Electron impact iozization of CCl4 and SF6 embedded in superfluid helium droplets
PublicationElectron impact ionization of helium nano-droplets containing several 104 He atoms and doped with CCl4 or SF6 molecules is studied with high-mass resolution. The mass spectra show significant clustering of CCl4 molecules, less so for SF6 under our experimental conditions. Positive ion efficiency curves as a function of electron energy indicate complete immersion of the molecules inside the helium droplets in both cases. For CCl4...
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The effect of alkyl chain length on synergistic effects in micellization and surface tension reduction in nonionic gemini (S-10) and anionic surfactants mixtures
PublicationMixtures of nonionic gemini surfactant S-10 ( α, α'-[2,4,7,9-tetrametyl-5-decyne-4,7-diyl]bis[ω-hydroxy -polioxyetylene] with anionic SRS (sodium alkylsulfates) and SRSO3 (sodium alkylsulfonates) of different alkyl chain length (from 10 to 14 carbon atoms) were investigated. Surface tension measurements were used to find the cmc values and other adsorption parameters. The Clint, Rubingh’s and Rosen theories were applied for evaluation...
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Magnetizability of the relativistic hydrogen-like atom: applicayion of the Sturmian expansion of the first-order Dirac-Coulomb Green function
PublicationStosując rozwinięcie sturmowskie funkcji Greena-Diraca-Coulomba, znaleziono wyrażenie analityczne dla magnetyzowalności relatywistycznego atomu wodoro-podobnego w stanie podstawowym.
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The scanning tunnelling micrographs of highly oriented pyrolytic graphite
Open Research DataThe dataset contains the results imaging of a sample of highly oriented pyrolytic graphite obtained using scanning tunneling microscopy. The above variant of scanning probe microscopy is one of the most convenient research techniques at atomic scales. The file contains images corresponding to increasing magnifications from the 1 um scale to a few nanometers....
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Structural investigations of the Al2O3 ultra thin films
Open Research DataUltra-thin layers of Al2O3 were deposited by atomic layer deposition (ALD) (Beneq TFS 200 ALD system). This method provides precise thickness control down to a single atomic layer. The precursors used were trimethylaluminum (Sigma-Aldrich) and purified water. The deposition of the atomic layer was carried out at 200 °C. Samples with a thickness of 2...
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Evaluation of potentially toxic elements’ (PTEs) vertical distribution in sediments of Gafsa–Metlaoui mining basin (Southwestern Tunisia) using geochemical and multivariate statistical analysis approaches
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Comparative effects of biochar-nanosheets and conventional organic-amendments on health risks abatement of potentially toxic elements via consumption of wheat grown on industrially contaminated-soil
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Bis(3,5-dimethylpyridine-kN)bis(tri-tert-butoxysilanethiolato-kS)chromium(II)toluene solvate
PublicationW tytułowym związku atom chromu jest czterokrotnie koordynowany: przez dwa atomy siarki grup tri-tert-butoksysilanotiolanowych oraz dwa atomy azotu z dwóch cząsteczek 3,5-dimetylopirydyny. Geometria ligandów wokół centrum metalicznego jest płaska kwadratowa. Cząsteczka leży na dwukrotnej osi symetrii przechodzącej przez atom N 3,5-dimetylopirydyny. Dodatkowo w krysztale na jedną cząsteczkę kompleksu przypada jedna cząsteczka toluenu.
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Born-Oppenheimer potential energy curves of the NaK molecule
Open Research DataAdiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Pi, and Delta electronic states have been calculated for the NaK molecule. All results of the presented molecular states have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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(S)-N-Nitrosoazetidine-2-carboxylic acid.
PublicationAnaliza rentgenograficzna monokryształów kwasu (S)-N-nitozoazetydyno-2-karboksylowego wykazała, że reszta N-nitrozoaminowa przyjmuje konfigurację E. Azetydynowy atom azotu jest nieznacznie piramidalny. Cząsteczki w sieci krystalicznej oddziałują ze sobą poprzez wiązania wodorowe pomiędzy atomem tlenu grupy nitrozowej i atomem wodoru grupy karboksylowej, tworząc polimeryczny łańcuch.
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Exsolution of Ni nanoparticles on the surface of cerium and nickel co-doped lanthanum strontium titanate as a new anodic layer for DIR-SOFC. Anti-coking potential and H2S poisoning resistance of the prepared material
PublicationThe aim of this study was to evaluate a new catalytic material for biogas fueled DIR-SOFC. This material was a perovskite-type SrTiO3 doped with La, Ce and Ni of a general formula La0.27Sr0.54Ce0.09Ni0.1Ti0.9O3-σ (LSCNT). Additional preparation steps were undertaken to promote a nickel exsolution process. Heat post-treatment of powders in a humidified H2 resulted in an intensive growth of nickel nanoparticles (NPs) while the temperature...
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[N,N'-Bis(2,6-diisopropylphenyl)pentane-2,4-diamine(1-)-2[kappa]2N,N']-[mu]2-chlorido-1:2[kappa]2Cl:Cl-chlorido-2[kappa]Cl-bis(1,2-dimethoxyethane-1[kappa]2O,O')iron(II)lithium
PublicationIn the title compound, [FeLi(C29H41N2)Cl2(C4H10O2)2], theFeII atom is coordinated by two N and two Cl atoms,generating a distorted FeN2Cl2 tetrahedral geometry. Additionally,one of the chloride atoms bridges to a lithium ion,which is solvated by two dimethoxyethane molecules and iscoordinated in a distorted trigonal-bipyramidal environment.The central Fe, Cl (*2) and Li atoms are coplanar with amaximum deviation of 0.034 A ° .
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Catena-Poly[{[mu]-[eta]5:[eta]5-1-[2-(dimethylamino)ethyl-[kappa]N]cyclopentadienyl}-lithium(I)-([mu]-1,1,3,3-tetra-tert-butyltriphosphane-[kappa]3P2:P1,P3)lithium(I)]
PublicationThe title compound, [Li2(C9H14N)(C16H36P3)]n, is a by-product of the reaction of [Cp(C5H4CH2CH2NMe2)ZrCl2]n with tBu2P-P(SiMe3)Li in toluene. It is a coordination polymer composed of infinite chains running along [010]. One Li(I) atom is chelated by the cyclopentadienyl ring and and the N atom of the scorpionate ligand and a P atom, whereas the other Li(I) atom is coordinated by the backside of the cyclopentadienyl ring and two...
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Sol-gel derived TeO2:RE powders
Open Research DataTellurium dioxide powders doped by Europium or Dysprosium were prepared by sol-gel method. Samples were annealed in ix of Ar and O2 atomosphere at 600 degrees. Presence of rare earth dopants and Te4+ phase was confirmed by X-Ray Photoemission Spectroscopy method (XPS). For XPS measurements samples with 1 atomic % and 5 atomic % of dopand were selected.
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Continuum orbitals in low energy scattering of electrons from Ar, Kr, Xe, Rn and Og atoms
Open Research DataThe dataset includes relativistic continuum electron wave functions (continuum orbitals, continuum spinors) for elastic scattering of electrons from Argon (Ar), Krypton (Kr), Xenon (Xe), Radon (Rn) and Oganesson (Og) atoms, calculated using the Multiconfiguration Dirac-Hartree-Fock method (MCDHF), at very low electron energies (0.0001 - 0.001 eV). Only...
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The AFM micrographs of isotropic etching silicon substrates (111)
Open Research DataThe DataSet contains the atomic force microscope images of isotropic etching silicon substrates (111). The silicon wafers were etched in a mixture of nitric acid, hydrofluoric acid, and acetic acid in the ratio of 40:1:15. The soaking time for the substrates was from 20 to 90 seconds
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Design and Preparation of Magnetically-Oriented Poly(styr-co-MMA)-3MPS Capped Fe(ZnO) Hybrid Microspheres for Ion Exchange Removal of Toxic Pollutants from Wastewater
PublicationIn this work, polymeric microspheres derived from polystyrene-co-methyl methacrylate embedded with magnetic ZnO nanoparticles (poly(styrene-co-MMA)-3MPS-Fe (ZnO)) were synthesized using the suspension polymerization method. The surfaces of polymeric Fe(ZnO) microspheres were improved by functionalization with amino and sulphonate groups. The physicochemical analysis indicated a large number of positively charged (anion exchange)...
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Influence of biochar produced from negative pressure-induced carbonization on transformation of potentially toxic metal(loid)s concerning plant physiological characteristics in industrially contaminated soil
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Collision-induced luminescence spectra of pyridine bombarded by 1000 eV He+ cations
PublicationHere we show collision-induced luminescence spectra measured for collisions of the He+cations with thearomatic six-membered ring of the pyridine molecule (C5H5N). Distinct emission bands due to the CH(A2Δ→X2Πr;B2Σ+→X2Πr;C2Σ+→X2Πr), CN(B2Σ+→X2Σ+), C2(d3Πg→a3Πu), and NH(A3Π→X3Σ−) transitions, aswell as atomic H, He, and C lines have been observed. Apart from the He atoms, all the emitters arise from thefragmentation of the pyridine...
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Oddziaływanie elektronów z wybranymi prekursorami metalicznych i półprzewodnikowych nanostruktur wytwarzanych za pomocą skupionych wiązek elektronowych
PublicationPraca poświęcona jest oddziaływaniom elektronów z prostymi prekursorami metody FEBID. W szczególności wyznaczono oraz przeanalizowano całkowite przekroje czynne na rozpraszanie elektronów funkcji energii dla wybranych cząsteczek: SnCl4, TiCl4, C(CH3)4, Si(CH3)4 oraz Ge(CH3)4, C5H6. W ramach pracy badano korelacje pomiędzy wartościami całkowitych przekrojów czynnych, a wybranymi fizykochemicznymi wielkościami charakteryzującymi...
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The AFM micrographs of V2O5 single crystals
Open Research DataThe DataSet contains the atomic force microscope images of the surface of V2O5 single crystals. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The As-prepared films were deposited on a quartz glass substrate and were annealing at 600°C under synthetic air.
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(R,R)-1-Acetyl-1'-(2,4,6-trinitrophenyl)-2,2'-bipyrrolidine
Publication(R,R)-1-Acetyl-1'-(2,4,6-trinitrophenyl)-2,2'-bipyrrolidine has been synthesized and its rentgenostructure has been determined. The structure of the title molecule, C16H19N5O7, is mainly determined by the steric effect of a bulky 2,4,6-trinitrophenyl group attached to the N atom of a pyrrolidine ring. Both pyrrolidine rings adopt an envelope conformation, with one of the methylene C atoms as the flap in each case, and the N-C-C-N...
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Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublicationThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...
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Micro-cracking pattern recognition of hybrid CNTs/GNPs cement pastes under three-point bending loading using acoustic emission technique
PublicationThe generation of microcracks has an important influence on the behaviour of concrete structures. In this study, the acoustic emission (AE) technique was used to investigate the fracture phenomena and micro-cracking behavior of hybrid carbon nanotubes (CNTs, the 1-D allotrope of carbon atoms) and graphene nanoplatelets (GNPs, 2D monolayer of sp2-hybridized carbon atoms), cement composites under three-point bending loading. In...
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Strahlungslose Übertragung von Elektronenanregungsenergie bei zweidimensionalen lumineszierenden Systemen
PublicationAn expression for the photoluminescence (PhL) quantum yield of donors in two-dimensional systems as depending on the concentration ratio nD'/nA' of donors and acceptors has been obtained. In the particular case nD' ⪡ nA' the expression reduces to the form given by other authors. The obtained formula can also be applied to the description of the concentrational quenching of PhL when dimers act as acceptors. The theory has been...
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Structure of the interlayer between Au thin film and Si-substrate: Molecular Dynamics simulations
PublicationInteraction between 2, 3, 5 and 7 atomic layers of gold and a (111) silicon surface was investigated with the molecular dynamics simulation method. The simulation of the diffusion interaction between gold and silicon in the temperature range 425-925 K has been carried out. The peculiarities of the concentration changes of the interacting components and the atomic density at the boundary...
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Chemical investigation of the Al2O3 ultra-thin films
Open Research DataUltra-thin layers of oluminum oxide (Al2O3) were deposited by ALD method. Atomic layer deposition provides precise thickness control down to a single atomic layer. The precursors used were trimethylaluminum (Sigma-Aldrich) and purified water. The deposition of the atomic layer was carried out at 200 °C. Samples with a thickness of 2 and 8 nm of alumina...
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(1H-Pyrazole-[kappa]N)bis(tri-tert-butoxysilanethiolato-[kappa]2O,S)cadmium
PublicationThe CdII atom in the title complex, [Cd(C12H27O3SSi)2-(C3H4N2)], is penta-coordinated by two O and two S atoms from the O,S-chelating silanethiolate residue and one pyrazole N atom in a distorted trigonal-bipyramidal geometry. The pyrazole ligand forms an intramolecular N-H---O hydrogen bond.
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The AFM micrographs of vanadium oxides thin films obtained at 800°C
Open Research DataThe DataSet contains the atomic force microscope images of the surface of vanadium oxide thin films. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The sol was deposited on a silicon substrate and vanadium thin films were obtained by annealing as-prepared films at...
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Magnetizability of the relativistic hydrogenlike atom in an arbitrary discrete energy eigenstate: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublicationThe Sturmian expansion of the generalized Dirac--Coulomb Green function [R.\/~Szmytkowski, J.\ Phys.\ B 30 (1997) 825; erratum 30 (1997) 2747] is exploited to derive a closed-form expression for the magnetizability of an arbitrary discrete state of the relativistic one-electron atom with a point-like, spinless and motionless nucleus of charge $Ze$. The result has the form of a double finite sum involving the generalized hypergeometric...
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The AFM micrographs of vanadium oxides thin films obtained at 1200°C
Open Research DataThe DataSet contains the atomic force microscope images of the surface of vanadium oxide thin films. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The sol was deposited on quartz glass and silicon substrate and vanadium thin films were obtained by annealing as-prepared...
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The AFM micrographs of vanadium oxides thin films obtained at 400°C
Open Research DataThe DataSet contains the atomic force microscope images of the surface of vanadium oxide thin films. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The sol was deposited on quartz glass and silicon substrate and vanadium thin films were obtained by annealing as-prepared...
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The AFM micrographs of vanadium oxides thin films obtained at 600°C
Open Research DataThe DataSet contains the atomic force microscope images of the surface of vanadium oxide thin films. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The sol was deposited on quartz glass and silicon substrate and vanadium thin films were obtained by annealing as-prepared...
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The AFM micrographs of of vanadium oxides thin films obtained at 300°C
Open Research DataThe DataSet contains the atomic force microscope images of the surface of vanadium oxide thin films. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The sol was deposited on quartz glass and silicon substrate and vanadium thin films were obtained by annealing as-prepared...
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The AFM micrographs of vanadium oxide thin films obtained at 100°C
Open Research DataThe DataSet contains the atomic force microscope images of the surface of vanadium oxide thin films. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The sol was deposited on quartz glass and silicon substrate and vanadium thin films were obtained by annealing as-prepared...
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The AFM micrographs of vanadium oxides thin films obtained at 150°C
Open Research DataThe DataSet contains the atomic force microscope images of the surface of vanadium oxide thin films. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The sol was deposited on quartz glass and silicon substrate and vanadium thin films were obtained by annealing as-prepared...
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The AFM micrographs of vanadium oxides thin films obtained at 200°C
Open Research DataThe DataSet contains the atomic force microscope images of the surface of vanadium oxide thin films. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The sol was deposited on quartz glass and silicon substrate and vanadium thin films were obtained by annealing as-prepared...
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The AFM micrographs of vanadium oxides thin films deposited on quartz glass - the influence of the thickness of the thin film on its morphology
Open Research DataThe DataSet contains the atomic force microscope images of the surface of vanadium oxide thin films. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The thin films with different thicknesses (1, 2 or 3 AsP layers) were deposited on a quartz glass substrate and were...
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The AFM micrographs of vanadium oxides thin films obtained at 450°C
Open Research DataThe DataSet contains the atomic force microscope images of the surface of vanadium oxide thin films. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The sol was deposited on quartz glass and silicon substrate and vanadium thin films were obtained by annealing as-prepared...
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The AFM micrographs of vanadium oxides thin films deposited on silicon - the influence of the thickness of the film on morphology
Open Research DataThe DataSet contains the atomic force microscope images of the surface of vanadium oxide thin films. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The thin films with different thicknesses (1, 2 or 3 AsP layers) were deposited on a silicon substrate and were annealing...
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The Ellenbogen's "Matter as Software" Concept for Quantum Computer Implementation: III. Selection of X@C60 Molecular Building Blocks (MBBs) for Tip-Based Nanofabrication (TBN) of Trapped Neutral Atom Quantum Computing Devices
PublicationThe selection of guest atoms X of X@C60 MBBs for TBN of trapped neutral atom quantum computing devices is reported. Assuming the all-optical quantum computing as a final target stage, the two criteria are most important: the charge q accumulated on the C60 host must be as low as possible, and the atom X must have one or more available excited states within the band falling into the low energy window of neutral C60 molecule electronic...
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Depth profile of the composition of 8 nm Al2O3 thin film
Open Research Data8 nm layer of aluminum oxide (Al2O3) was deposited by ALD method on a s. Atomic layer deposition provides precise thickness control down to a single atomic layer. The precursors used were trimethylaluminum (Sigma-Aldrich) and purified water. The deposition of the atomic layer was carried out at 200 °C. To investigate the profile of concenration of...