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Bromidotetrakis(1H-2-ethyl-5-methylimidazole-κN3)copper(II) bromide
PublikacjaAtom Cu(II) w tytułowym kompleksie jest skoordynowany przez cztery atomy N obojętnych cząsteczek imidazolu oraz jon bromkowy. Jon kompleksowy ma geometrię piramidy kwadratowej. Kationy kompleksowe w krysztale tworzą układ dipoli ułożonych ''głowa do ogona'' równolegle do osi c.
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Jacek Tomków dr hab. inż.
OsobyWykształcenie:1. 2018 r.Doktor inżynier - Politechnika Gdańska, Wydział Mechaniczny, Inżynieria Materiałowa,rozprawa doktorska: Wpływ warunków spawania pod wodą na skłonność do tworzenia pęknięć zimnych w stalach o podwyższonej wytrzymałości 2. 2012 r.Magister inżynier - Politechnika Gdańska, Wydział Mechaniczny, Mechanika i Budowa Maszyn, specjalność: Technologia Maszyn i Komputerowe Wspomaganie Produkcji,praca magisterska: Badania...
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Attaching an alkali metal atom to an alkaline earth metal oxide (BeO, MgO, or CaO) yields a triatomic metal oxide with reduced ionization potential and redirected polarity
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A new look at two polymorphic crystal structures of dibenzoylmethane: relationship between the crystal packing and the hydrogen atom position revealed by quantum chemistry and quantum crystallography methods
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Magnetic field-induced electric quadrupole moment in the ground state of the relativistic hydrogen-like atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublikacjaStosując rozwinięcie sturmowskie funkcji Greena-Diraca-Coulomba, znaleziono wyrażenie analityczne dla elektrycznego momentu kwadrupolowego, indukowanego przez zewnętrzne pole magnetyczne w relatywistycznym atomie wodoropodobnym w stanie podstawowym. Wykazano, że jest to efekt czysto relatywistyczny.
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Toward Mechanosynthesis of Diamondoid Structures: IX Commercial Capped CNT Scanning Probe Microscopy Tip as Nowadays Available Tool for Silylene Molecule and Silicon Atom Transfer
PublikacjaAccording to K. E. Drexler, advanced mechanosynthesis will employ advanced nanomachines, but advanced nanomachines will themselves be product of advanced mechanosynthesis. This circular relationship must be broken in SPM technology development. In the article, the possibility of use easy available commercial CNT tips to assembly silicon-based intermediate generations of nano-devices is considered. Mechanosynthesis of a target class...
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Substituent effects on ^15N NMR chemical shifts in selected N-alkylthiohydroxamic acids. A comparative study
PublikacjaNa podstawie widm 15N NMR przeanalizowano wpływy podstawników wybranych kwasów tiohydroksamowych na przesunięcia chemiczne N-15. Analiza porównawcza z przesunięciami chemicznymi strukturalnie podobnych amidów, tioamidów i kwasów hydroksamowych pozwoliła na stwierdzenie, że nie zatłoczenie steryczne a grupa N-OH jest odpowiedzialna za osłabienie efektów odsłaniających zarówno podstawników bezpośrednio związanych z atomem azotu jak...
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Performance of organic coatings upon cyclic mechanical load
PublikacjaA number of engineering structures fail due to the fatigue damage resulting from cyclic mechanical stress. However, as far as organic coatings are concerned this degradation factor remains underestimated. In the paper the authors propose a methodology combining global electrochemical impedance spectroscopy and local atomic force microscopy measurements for evaluation of coating resistance to an impact of repetitive mechanical stress. Typical...
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10-Methyl- and 9,10-dimethyl acridinium methyl sulfate
PublikacjaThe title compounds, C(14)H(12)N(+).CH(3)O(4)S(-), (I), and C(15)H(14)N(+).CH(3)O(4)S(-), (II), respectively, crystallize with the planar 10-methylacridinium or 9,10-dimethylacridinium cations arranged in layers, parallel to the twofold axis in (I) and perpendicular to the 2(1) axis in (II). Adjacent cations in both compounds are packed in a 'head-to-tail' manner. The methyl sulfate anion only exhibits planar symmetry in (II)....
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Exemplary AFM application in cosmetology
Dane BadawczeAtomic force microscopy can be used in the diagnosis of the condition of human tissues such as skin, nails and hair. This is obviously related to the use of a variety of cosmetic products and can be understood as an attempt to assess their long-term impact on human appearance and health. An example may be the studies presented in [1] indicating the...
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Results of AFM examination of acrylic bone cements incorporating various components
Dane BadawczeThe database contains the images of the surface topography of modified bone cements observed with the atomic force microscopy (AFM). The following modifications were evaluated: the addition of biodegradable components (including chitosan, cellulose, tricalcium phosphate, polydioxanone or magnesium), the addition of bioactive components (bioglasses)...
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Tetrahydrofuran-kO bis(tri-tert-butoxysilanethiolato-k2O,S)chromium(II)
PublikacjaTytułowy związek jest pierwszym silanotiolanowym kompleksem chromu(II). Atom chromu jest koordynowany przez 0,S-chelatujący tri-tert-butoksysilanotiolanowy ligand oraz dodatkowy ligand - czasteczkę tetrahydrofuranu. Geometrię ligandów wokół atomu chromu można opisać jako piramidę o podstawie kwadratu, z czasteczką tetrahydrofuranu w pozycji wierzchołkowej. Związek ten posiada dwukrotną oś symetrii.
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Lattice-commensurate skyrmion texture in a centrosymmetric breathing kagome magnet
PublikacjaSkyrmion lattices (SkL) in centrosymmetric materials typically have a magnetic period on the nanometer-scale, so that the coupling between magnetic superstructures and the underlying crystal lattice cannot be neglected. We reveal the commensurate locking of a SkL to the atomic lattice in Gd3Ru4Al12 via high-resolution resonant elastic x-ray scattering (REXS). Weak easy-plane magnetic anisotropy, demonstrated here by a combination...
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Mechanical lithography in a polymer substrate using AFM in contact mode
Dane BadawczeMechanical lithography in a polymer substrate. Contact mode. NTEGRA Prima (NT-MDT) device. NSG 01 probe.
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Rozpraszanie sprężyste elektronów na atomach gazów szlachetnych w zakresie dużych kątów rozproszenia.**2003, 112 s. 52 rys. 18 tab. bibliogr. 188 poz. maszyn. Rozprawa doktorska /16.06.2003/ Wydz. FTiMS Promotor: prof. dr hab. M. Zubek
Publikacja.
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2-Methylphenyl 2-methoxyacridine-9-carboxylate
PublikacjaThe title compound, C22H17NO3, crystallizes in the monoclinic space group P21/c with four molecules per unit cell. The molecules are arranged in centrosymmetric pairs, joined via the C and attached H atoms in the meta position relative to the methoxy group. These pairs are bonded in the crystalline phase as a result of non-specific dispersive interactions, and through a network of C—H⋯O interactions involving the non-bonded O...
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Reaction of 4-benzylidene-2-methyl-5-oxazolone with amines, Part 2: Influence of substituents in para-position in the phenyl ring and a substituent on amine nitrogen atom on the reaction kinetics
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The ONETEP linear-scaling density functional theory program
PublikacjaWe present an overview of the ONETEP program for linear-scaling density functional theory (DFT) calculations with large basis set (planewave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the...
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Triaquabis(tri-tert-butoxysilanethiolato)barium
PublikacjaReakcja 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.
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Modeling two phase flow in large scale fractured porous media with an extended multiple interacting continua method
PublikacjaWe present a two phase flow conceptual model, the corresponding simulator (2pMINC) and a workflow for large-scale fractured reservoirs, based on a continuum fracture approach which uses the multiple interacting continua (MINC) method complemented with an improved upscaling technique. The complex transient behavior of the flow processes in fractured porous media is captured by subgridding the coarse blocks in nested volume elements...
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Mercury concentrations in Antarctic zooplankton with a focus on the krill species, Euphausia superba
PublikacjaThe Antarctic is the most isolated region in the world; nevertheless, it has not avoided the negative impact of human activity, including the inflow of toxic mercury (Hg). Hg deposited in the Antarctic marine environment can be bioavailable and accumulate in the food web, reaching elevated concentrations in high-trophic-level biota, especially if methylated. Zooplankton, together with
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Structure of partially reduced xPbO (1-x)SiO2 glasses: combined EXAFS and MD study
PublikacjaWykorzystując połączenie metody EXAFS (extended X-ray absorption finestructure) i symulacji MD (molecular dynamics) zbadano strukturęczęściowo zredukowanych szkieł ołowiowo-krzemianowych o różnejstechiometrii wyjściowej. W wyniku analizy uzyskano szczegółowyopis struktury lokalnej wokół atomów ołowiu i jej zmiany w funkcjiskładu szkła i poziomu redukcji. Określono również jaką tendencjędo aglomeracji w metaliczne klastry wykazują...
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Molecular Dynamics to Predict Cryo-EM: Capturing Transitions and Short-Lived Conformational States of Biomolecules
PublikacjaSingle-particle cryogenic electron microscopy (cryo-EM) has revolutionized the field of the structural biology, providing an access to the atomic resolution structures of large biomolecular complexes in their near-native environment. Today’s cryo-EM maps can frequently reach the atomic-level resolution, while often containing a range of resolutions, with conformationally variable regions obtained at 6 Å or worse. Low resolution...
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Detection of the acoustic interferences during AFM operation
Dane BadawczeAtomic force microscopy is a particularly complicated surface imaging technique due to the large number of factors that affect the quality of the resulting images. They are obviously difficult and sometimes even impossible to control at the same time. One of such factors may even be the seismological location of the building or the influence of mechanical...
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Luminescent collisions of He+ and He++ ions with H2 molecules at energies below 2 keV
PublikacjaSpectroscopic studies of collisions between He+ and He++ ions with H2 gas target have been performed in the 200–600nm wavelength range. Atomic lines of hydrogen Balmer series and several helium lines were identified and their excitation functions between 50 eV and 1keV (2keV for He++) were determined.
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Ammine(2-ethylpyridine-κN)bis(tri-tert-butoxysilanethiolato-κS)cobalt(II)
PublikacjaTytułowy 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
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Application of cyanated asphaltenes in gas-phase adsorption processes for removal of volatile organic compounds
PublikacjaThe paper presents an innovative, chemically modified (methylcyanated) asphaltene-based adsorbent that can be an inter-esting low-cost alternative for traditional adsorbents. Adsorption properties of adsorbents were examined by inverse gas chromatography technique, adsorption isotherms, and breakthrough curves. A significant increase in retention volume for pyridine, 2-pentanone, nitropropane, toluene, and 1-butanol was observed....
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Galvanostatic impedance measurements for the efficient adsorption isotherm construction in corrosion inhibitor studies
PublikacjaWe present an approach towards an accurate and time-efficient adsorption isotherm determination to evaluate the corrosion inhibitor interaction in electrolytic environments. The approach is based on dynamic impedance spectroscopy measurements in galvanostatic mode (g-DEIS). The studied corrosion inhibitor is continuously injected between the secondary cell and the corrosion cell. The efficiency corresponding to instantaneous inhibitor...
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Tip-Based Nanofabrication as a Rapid Prototyping Tool for Quantum Science and Technology
PublikacjaTip-Based Nanofabication as a Rapid Prototyping Tool for Quantum Science and Technology discusses the development of cantilevered nanotips techniques of quantum devices prototyping and how they evolved from scanning probe microscopy. Also covered are the advantages and future prospects of atomic resolution capability and how to use this enabling technology as a rapid prototyping tool for quantum science and technology.
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Reactivity of bulky aminophosphanes towards small molecules: Activation of dihydrogen and carbon dioxide by aminophosphane/borane frustrated Lewis pairs
PublikacjaA series of mono- and bisaminophosphanes with formulas R2NPR’R’’ and (R2N)2PR’ (R = iPr, Cy; R’ = Ph, Cy; R’’ = iPr) were characterized by X-ray analysis, NMR spectroscopy and computational methods. The common structural futures of these species are short and polarized PAN bonds, a pyramidal geometry at the P atom and an almost planar geometry at the N atoms. According to DFT calculations, these...
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Synthesis and reactivity of O-acyl selenophosphates.
PublikacjaMieszane bezwodniki kwasów monoselenofosforowych >P(Se)O-C(O)- w zależności od podstawników na atomie fosforu oraz karbonylowym atomie węgla izomeryzują do układów Se-mostkowych >P(O)Se-(O)C- oraz ulegają dekarboksylacji (dekarbonylacji i dekarboksylacji) do estrów Se-alkilowych >P(O)Se-. W eksperymantach krzyżowych następuje wzajemna wymiana grup acylowych pomiędzy cząsteczkami bezwodników.
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The morphology of as-quenched and heat treated 58(2Bi2O3-V2O5)-42SrB4O7 glasses measured with AFM
Dane BadawczeThe morphology of as-quenched and heat treated 58(2Bi2O3-V2O5)-42SrB4O7 glasses was measured with the use of atomic force microscope.
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ALLYING SYSTEM THINKING AND SET OF EXPERIENCE KNOWLEDGE STRUCTURE
PublikacjaThe approach of system thinking is completely different from traditional forms of analysis. Even the ancient meaning of word analysis is “a breaking up”. Set of Experience Knowledge Structure is an atomic record of decision event that can be grouped together and form some form of decision DNA of an organization. The question that this paper is trying to answer in how those concepts can be merged.
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The carbohydrate glycosylphosphatidylinositol anchor chain under mechanical stress
PublikacjaCarbohydrates have quite complicated micro heterogenic structure which may undergo different structural transitions. Due to their extreme flexibility it is very difficult to investigate such structural changes experimentally. In these studies we want to predict what structural and conformational changes are possible in the carbohydrate
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Monitoring Lead Concentration in the Surrounding Environmental Components of a Lead Battery Company: Plants, Air and Effluents—Case Study, Kenya
PublikacjaLead (Pb) pollution from smelters and lead–acid battery has become a serious problem worldwide owing to its toxic nature as a heavy metal. Stricter regulations and monitoring strategies have been formulated, legislated and implemented in various parts of the world on heavy metal usage. Developed countries such as the USA and in Europe largely operate within the set standards, however, developing countries such as Kenya, Nigeria...
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Evaluation of Three Peptide Immobilization Techniques on a QCM Surface Related to Acetaldehyde Responses in the Gas Phase
PublikacjaThe quartz-crystal microbalance is a sensitive and universal tool for measuring concentrations of various gases in the air. Biochemical functionalization of the QCM electrode allows a label-free detection of specific molecular interactions with high sensitivity and specificity. In addition, it enables a real-time determination of its kinetic rates and affinity constants. This makes QCM a versatile bioanalytical screening tool for...
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Tlenek grafenu i redukowany tlenek grafenu
PublikacjaGrafen 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...
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The adiabatic potentials of low-lying electronic states of the NaRb molecule
PublikacjaAdiabatic potential energy curves and spectroscopic constants have been calculated for the NaRb molecule. The results of ten states of the symmetry Σ+, six states of the symmetry Π, and two states of the symmetry Δ are obtained by the nonrelativistic quantum chemical method used with pseudopotentials describing the interaction of valence electrons with atomic cores. Analysis is based on a comparison with the results of other theoretical...
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The influence of external interference on AFM imaging, the use of a protective helmet
Dane BadawczeThis collection is of purely practical importance, showing how the presence of external disturbances can adversely affect the quality of imaging with an atomic force microscope. For this reason, it is also advisable to provide a link to a workshop-like study [1] as well as a huge number of commercial solutions available after entering the keyword "AFM...
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Toward Mechanosynthesis of diamondoid structures: III. Quantum-chemical study of silylene molecule and silicon atom transfer mechanism from caped SWCNT tip to the reaction center on a hydrogenated Si(111) surface
PublikacjaOpublikowana wcześniej (Modelling Simul. Mater. Sci. Eng., Vol. 7, 1999, pp. 43-58) strategia mechanosyntezy struktur krzemu na uwodornionej płaszczyźnie Si(111) została poszerzona poprzez uwzględnienie ostrza w postaci zamkniętej SWCNT jako urządzenia kontrolującego położenie cząsteczki sililenu oraz atomu krzemu.
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The AFM micrographs of pitting corrosion evolution on high-alloy steel 1.4301
Dane BadawczeThe dataset contains the results of topographic imaging of high-alloy stainless steel 1.4301 on which the pitting corrosion process was induced by electrochemical methods. The study of the effects of a local attack allows for conclusions about the intensity and mechanism of this type of corrosion. The file contains atomic force microscopy (AFM) data...
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Highly effective asphaltene-derived adsorbents for gas phase removal of volatile organic compounds
PublikacjaA novel nitrated asphaltene-derived adsorbent (Asf-Nitro) was prepared using facile isolation and modification procedures. The successful modification was confirmed by Fourier-transform infrared spectroscopy (FTIR). The nitrated adsorbent was evaluated in terms of dispersive and specific interactions, Lewis acid-base properties and adsorption isotherms by means of inverse gas chromatography (IGC). Nitration was found to be extremely...
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DFT and NBO theoretical study of protonation of tri-tert-butoxysilanethiol and its anion
PublikacjaWykonano obliczenia kwantowo-chemiczne metodą DFT dla tri-tert-butoksysilanotiolu oraz jego protonowanych i deprotonowanych form, zarówno na atomie tlenu jak i siarki. Przeanalizowano bilans energetyczny dla protonowania anionu w próżni i w fazie wodnej (stosując model IPCM). Zaobserwowano skrócenie wiązania Si-S w wyniku protonowania na atomie tlenu. Zmiany długości wiązań Si-O i Si-S zostały zinterpretowane w oparciu o analizę...
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Mineral Composition of Dietary Supplements-Analytical and Chemometric Approach
PublikacjaThere is a lack of data on the actual composition and effectiveness of beetroot-based dietary supplements. The research aimed to determine the profile of 22 elements (Na, K, Ca, Mg, P, Fe, As, Se, Zn, Cu, Ag, Co, Ni, Mo, Al, Mn, Sr, Cr, Ba, Li, Pb, Cd) in beetroot and its supplements by the microwave plasma atomic emission spectrometry (MP-AES) method. The analytical procedure was optimised and validated. The composition of both...
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Consequences of lysine auxotrophy for Candida albicans adherence and biofilm formation
PublikacjaA number of factors are known to be involved in Candida albicans virulence, although biofilm development on the surfaces of indwelling medical devices is considered to promote superficial or systemic disease. Based on previously reported up-regulation of saccharopine and acetyllysine in biofilm cells and activation of the lysine biosynthesis/degradation pathway, we investigated...
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Substancje groźne, niebezpieczne i pożyteczne. Tom 2. Związki organiczne
PublikacjaStreszczenie W drugim tomie prezentowanej książki przedstawione zostały informacje nt. związków organicznych, ich występowania, otrzymywania, właściwości oraz zagrożeń jakie one stwarzają, a także korzyści, jakich dostarczają. Do związków organicznych zaliczane są te substancje, które zawierają atom lub atomy węgla, z pewnymi wyjątkami (szczegóły w książce). Szacunkowo, liczba znanych związków organicznych sięga kilkudziesięciu...
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Photoelectrochemically Active N‐Adsorbing Ultrathin TiO2 Layers for Water‐Splitting Applications Prepared by Pyrolysis of Oleic Acid on Iron Oxide Nanoparticle Surfaces under Nitrogen Environment
PublikacjaHighly performing photocatalytic surfaces are nowadays highly desirable in energy fields, mainly due to their applicability as photo water‐splitting electrodes. One of the current challenges in this field is the production of highly controllable and efficient photoactive surfaces on many substrates. Atomic layer deposition has allowed the deposition of photoactive TiO2 layers over wide range of materials and surfaces. However,...
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Vibrational Sum-Frequency Generation Activity of a 2,4-Dinitrophenyl Phospholipid Hybrid Bilayer: Retrieving Orientational Parameters from a DFT Analysis of Experimental Data
PublikacjaThe vibrational nonlinear activity of films of 2,4-dinitrophenyl phospholipid (DNP) at the solid interface is measured by sum-frequency generation spectroscopy (SFG). Hybrid bilayers are formed by a LangmuirSchaefer approach in which the lipid layer is physisorbed on top of a self-assembled monolayer of dodecanethiol on Pt with the polar heads pointing out from the surface. The SFG response is investigated in two vibrational frequency...
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Nanostructures fabrication with use of electrical AFM litography
Dane BadawczeIn the last 10 years, one of the nanotechnological trends has been observed, consisting in the development of new variants of computer memory systems with high capacity and speed of access, using quantum dots. One of the techniques for creating nanodots and other nanostructures is based on the use of an atomic force microscope acting as a lithographic...
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Force-deformation spectroscopy in contact mode
Dane BadawczeThe deformation-distance spectroscopic curve is obtained by registering the value of the probe cantilever deflection as a function of the elongation of the piezoelectric scanner. It assumes a simple relationship in the form of Hooke’s law, linking the deformation of the lever with the amount of its deflection caused by the proximity of the probe and...