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Wyniki wyszukiwania dla: MOLECULAR PHYSICS, ORGANIC ELECTRONICS, PHOTOVOLTAIC
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Electrical conductivity of reduced lead-germanate glasses
PublikacjaPewna grupa szkieł tlenkowych poddana procesowi redukcji w atmosferze gorącego wodoru wykazuje gwałtowne zmiany swoich właściwości elektrycznych i optycznych. Szkła ołowiowo-germanianowe, którym poświęcona jest niniejsza praca należą do takich szkieł i charakteryzują się szczególnymi redukcyjnie indukowanymi właściwościami. Wystarczająco długie wygrzewanie prowadzi bowiem do wzrostu przewodnictwa elektrycznego nawet o 12 rzędów...
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Modulated photocurrents in amorphuous solids uner varius experimwntal conditions
PublikacjaPodobno przybliżone wzory opisujące modulowane fotoprądy mierzone w słaboprzewodzących próbkach o kanapkowym układzie elektrod. Pokazano wpływ zapełnienia pułapek, głębokości absorpcji światła i dyfuzji w próbce na teoretyczne przebiegi fotoprądów. Zamieszczono przykładowe krzywe fotoprądów, zmierzone w poli(N-winylokarbazolu) i otrzymane na ich podstawie energetyczne rozkłady gęstości pułapek dla dziur.
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Influence of the annealing conditions on the resistivity of Nd2CuO4 singlecrystals
PublikacjaW pracy wyznaczono temperaturową zależność oporności w płaszczyźnie ab dla dwóch grup kryształów Nd2CuO4 w zakresie 50-300 K.
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GaAs-Si interfacial energy determination
PublikacjaBazując na półempirycznym modelu wiązań kowalencyjnych w krzemie wyznaczono energie międzypowierzchni GaAs-Si. Obliczona energia międzypowierzchni GaAs-Si zależna jest od orientacji podłoża Si. Minimalna energia międzypowierzchniowa wyznacza odpowiednią konfigurację atomów w pobliżu powierzchni, która określa optymalne warunki heteroepitaksji GaAs na podłożach Si.
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Experimental and theoretical study of protonated water cluster
PublikacjaZa pomocą metody rojowej zbadano powstanie i dryf dodatnio naładowanych klastrów wody H+(H20)n n=1-7. Oszacowano energie dysocjacji. Prace uzupełniają obliczenia kwantowe konfiguracji wybranych klastrów. Dokonano obliczeń kilkunastu konfiguracji zjonizowanych klastrów.
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Positron Annihilation Studies of Silicon Oxides and Oxygen Precipitates in Silicon
PublikacjaTechniki pozytonowe dają możliwości badania defektów i zmian strukturalnych nie obserwowanych innymi metodami. W tej pracy zastosowano 3 różne techniki pozytonowe do badania zmian strukturalnych i tworzenia wydzieleń SiOx w krzemie.
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Ionic conductivity in bismuth silicate glasses.
PublikacjaZbadano właściwości elektryczne szkieł krzemianowo- bizmutowych zawierających 55 mol% tlenku bizmutu. Uzyskane wyniki potwierdzają jonowy charakter przewodnictwa, za które odpowiedzialne są jony tlenu.
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Nonconventional 1,8-Diazafluoren-9-One Aggregates for Green Light Enhancement in Hybrid Biocompatible Media
PublikacjaOrganic aggregates currently play a prominent role, mainly for their unique optoelectronic properties in the aggregated state. Such properties can be related to the aggregates’ structure and the molecular packing mode. In the literature, we have well-established models of H and J aggregates defined based on the molecular exciton model. However, unconventional aggregates, the most unrecognized forms, have been generating interest...
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Novel Biomass-Based Polymers: Synthesis, Characterization, and Application
PublikacjaA wide range of polymers were prepared from biomass-derivatives, using different polymerization mechanisms. Well-defined, fully hydroxy-functional polyesters based on aliphatic diols were synthesized, using either conventional metal-based catalysts or the organic superbase 1,5,7-triazabicyclododecene (TBD). Unsaturated polyesters were also made, offering additional functionality to these biobased resins. Metal-catalyzed or enzymatic...
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Superconducting SrSnP with Strong Sn–P Antibonding Interaction: Is the Sn Atom Single or Mixed Valent?
PublikacjaThe large single crystals of SrSnP were prepared using Sn self-flux method. The superconductivity in the tetragonal SrSnP is observed with the critical temperature of ∼2.3 K. The results of a crystallographic analysis, superconducting characterization, and theoretical assessment of tetragonal SrSnP are presented. The SrSnP crystallizes in the CaGaN structure type with space group P4/nmm (S.G. 129, Pearson symbol tP6) according...
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Synteza, struktura chemiczna i właściwości bezizocyjanianowych poliuretanów otrzymywanych z wykorzystaniem CO2 oraz surowców pochodzenia naturalnego.
PublikacjaZ uwagi na wciąż rosnącą świadomość proekologiczną, politykę zrównoważonego rozwoju, a także nurt zielonej chemii wiodącym trendem w przemyśle tworzyw sztucznych jest poszukiwanie alternatywnych metod otrzymywania materiałów polimerowych. Komercyjnie poliuretany otrzymywane są w wyniku reakcji poliaddycji di- lub poliizocyjanianów z poliolami i małocząsteczkowymi przedłużaczami łańcucha. Z uwagi na niekorzystne właściwości diizocyjanianów,...
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Electromodulation of photoluminescence in vacuum-evaporated films of bathocuproine
PublikacjaElectric 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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Synthesis of Titanium Dioxide via Surfactant-Assisted Microwave Method for Photocatalytic and Dye-Sensitized Solar Cells Applications
PublikacjaIn this study, titania nanoparticles were obtained using the microwave-assisted technique. Moreover, different surfactants (PEG (Mn = 400), Pluronic P123 and Triton X−100) were used during the synthesis in order to determine their impact on the crystallinity and morphology of the final products. Subsequently, techniques such as XRD, SEM and TEM (performed in high contrast and high-resolution mode), diffuse reflectance spectroscopy...
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Application of gas chromatographic data and 2D molecular descriptors for accurate global mobility potential prediction
PublikacjaMobility is a key feature affecting the environmental fate, which is of particular importance in the case of persistent organic pollutants (POPs) and emerging pollutants (EPs). In this study, the global mobility classification artificial neural networks-based models employing GC retention times (RT) and 2D molecular descriptors were constructed and validated. The high usability of RT was confirmed based on the feature selection...
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Intermolecular Interactions as a Measure of Dapsone Solubility in Neat Solvents and Binary Solvent Mixtures
PublikacjaDapsone is an effective antibacterial drug used to treat a variety of conditions. However, the aqueous solubility of this drug is limited, as is its permeability. This study expands the available solubility data pool for dapsone by measuring its solubility in several pure organic solvents: N-methyl-2-pyrrolidone (CAS: 872-50-4), dimethyl sulfoxide (CAS: 67-68-5), 4-formylmorpholine (CAS: 4394-85-8), tetraethylene pentamine (CAS:...
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Characterization of volatile compounds, structural, thermal and physico-mechanical properties of cross-linked polyethylene foams degraded thermo-mechanically at variable times
PublikacjaWaste cross-linked polyethylene foam (wXLPE) was thermo-mechanically degraded at variable time using internal batch mixer. The progress of wXLPE degradation has been investigated by using a simultaneous thermogravimetric/differential scanning calorimetry analyzer coupled with Fourier transform infrared spectroscopy, swelling measurements, tensile tests and scanning electron microscopy. Volatile organic compounds generated during...
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Examination of fresh water chemistry in maritime Antarctica during austral summer 2017
PublikacjaDue to the fact that Antarctica is one of the least polluted places on Earth, it is a perfect place to observe the spread of global pollution. Therefore, research conducted on this continent is important due to the possibility of investigating the type of pollution and their way of transport. This work considers presence of organic contaminants in Maritime Antarctica in unexplored until now, Lions Rump headland. Qualitative and...
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Aggregation of imidazoacridinones - spectroscopic and microcalorimetric approach
PublikacjaImidazoacridinones (IA) belong to a group of polycyclic heteroaromatic antitumor compounds. IA create the aggregated form in water solution. Self-association of substances is a very important phenomenon in many fields of applied chemistry. It is also fundamental model reaction of many kinds of molecular interactions such as the micelle formation of amphiphilic substances and the binding of small organic molecules to macromolecules....
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Experimental and Theoretical Insights into the Intermolecular Interactions in Saturated Systems of Dapsone in Conventional and Deep Eutectic Solvents
PublikacjaSolubility is not only a crucial physicochemical property for laboratory practice but also provides valuable insight into the mechanism of saturated system organization, as a measure of the interplay between various intermolecular interactions. The importance of these data cannot be overstated, particularly when dealing with active pharmaceutical ingredients (APIs), such as dapsone. It is a commonly used anti-inflammatory and...
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Chemical composition of shells from red (Strongylocentrotus franciscanum) and green (Strongylocentrotus droeba-chiensis) sea urchin
PublikacjaThe shells from red and green sea urchins accounted for 47.9 and 40.7% of their body weights, respectively. The red and green sea urchin shells contained 91.08 and 90.77% minerals and 4.06 and 4.99% proteins, respectively. The shells did not contain any chitin. Sea urchin shells had a relatively large amount of naphthoquinone pigments, 121 mg per 100 g in red and 163 mg per 100 g in green species. The small quantities of glucosamine...
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Effect of copper and silver modification of NH2-MIL-125(Ti) on the photoreduction of carbon dioxide to formic acid over this framework under visible-light irradiation
PublikacjaCu and Ag enhance the photocatalytic activities of metal–organic frameworks (MOFs) toward CO2 conversion because of their CO2 adsorption capacities and effects on the lowest unoccupied molecular orbital (LUMO) overpotentials of MOFs. However, to date, targeted introduction of metals into MOFs to achieve visible (Vis)- light-active photocatalysts for CO2 photoconversion has not been realized. Herein, a series of aminefunctionalized...
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Jerzy H. Czembor Prof. dr hab.
OsobyYear of birth: 1965, Poland, Work address: Plant Breeding and Acclimatization Institute –National research Institute (IHAR-PIB), Radzikow, 05-870 Blonie, Poland. Scientific disciplines: agricultural sciences, plant pathology, plant physiology, genetics. Specialization: phytopathology, mycology, plant genetics, molecular genetics, plant breeding, breeding for disease resistance, biotechnology, evaluation of genetic resources,...
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Application of COSMO-RS-DARE as a Tool for Testing Consistency of Solubility Data: Case of Coumarin in Neat Alcohols
PublikacjaCoumarin is a naturally occurring lactone-type benzopyrone with various applications in the pharmaceutical, food, perfume, and cosmetics industries. This hydrophobic compound is poorly soluble in water but dissolves well in protic organic solvents such as alcohols. Despite the extensive use of coumarin, there are only a few reports documenting its solubility in organic solvents, and some reported data are incongruent, which...
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Topological behavior mimicking ethylene–hexene copolymers using branched lactones and macrolactones
PublikacjaPolyolefins are of paramount importance in the world of polymers due to their technological and economic potential.1 However, their nonpolar character significantly restricts the compatibility and adhesion properties, which consequently limits their versatility. Moreover, an intensified demand for materials from renewable resources can also become a problematic venture for the current polyolefin industry.2 Although Braskem and...
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Aleksander Mroziński dr inż.
OsobyAleksander Mroziński jest doktorantem na Wydziale Elektroniki, Telekomunikacji i Informatyki Politechniki Gdańskiej. Od czerwca 2019r. został zatrudniony na stanowisku redaktora metadanych w projekcie MOST DANYCH. Ponadto jest uczestnikiem trzech innych projektów realizowanych na Politechnice Gdańskiej: InterPhD II, OPUS 13 oraz PROM. Chęć poznawania świata sprawia, że stara się zdobywać multidyscyplinarną wiedzę oraz umiejętności...
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Solubility of dapsone in deep eutectic solvents: Experimental analysis, molecular insights and machine learning predictions
PublikacjaBackground. Dapsone (DAP) is an anti-inflammatory and antimicrobial active pharmaceutical ingredient used to treat, e.g., AIDS-related diseases. However, low solubility is a feature hampering its efficient use. Objectives. First, deep eutectic solvents...
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An investigation of selected monoaromatic hydrocarbons released from the surface of polystyrene lids used in coffee-to-go cups
PublikacjaA consumer trend towards the fast preparation of beverages has increased the popularity of hot beverages (especially coffee and tea) available in disposable containers called coffee-to-go cups with fitted polystyrene lids. Lids in contact with hot beverages may release low molecular weight organic compounds into the gaseous phase causing direct exposure of consumers to these compounds during drinking. The paper describes in detail...
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Deep learning for ultra-fast and high precision screening of energy materials
PublikacjaSemiconductor materials for energy storage are the core and foundation of modern information society and play important roles in photovoltaic system, integrated circuit, spacecraft technology, lighting applications, and other fields. Unfortunately, due to the long experiment period and high calculation cost, the high-precision band gap (the basic characteristic parameter) of semiconductor is difficult to obtain, which hinders the...
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Electron collisions with ethylene oxide molecules
PublikacjaZmierzono całkowite przekroje czynne na rozproszenie elektronów na drobinach tlenku etylenu w zakresie energii od 0.7 do 400 eV. Obliczono przekroje czynne na zderzenia sprężyste oraz przekroje czynne na jonizację. Otrzymane wyniki obliczeń są zgodne z wynikami eksperymentalnymi w pokrywającym się przedziale energii zderzenia. Wyniki uzyskane dla tlenku etylenu porównano z przekrojami czynnymi dla jego izoelektronowego odpowiednika...
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On the interpretation of high-resolution x-ray spectra from JET with an ITER-like wall
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Differential cross sections for electron elastic scattering and vibrational v=1 excitation in nitrogen in the energy range [online] from 5 to 20 eV measured over an angular range 10deg-180deg
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Formation of CN (B2Σ+) radicals in the vacuum-ultraviolet photodissociation of pyridine and pyrimidine molecules
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O 1s excitation and ionization processes in the CO2molecule studied via detection of low-energy fluorescence emission
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Ionization and fragmentation of furan molecules by electron collisions
PublikacjaCation mass spectra obtained by electron impact were measured to investigate the ionization and ionic fragmentation of furan, C4H4O, molecules in the gas phase. The most abundant cations, with comparable intensities in the mass spectra, were the parent, C4H4O+, cation (68 amu) and the C3H3+ fragment (39 amu). The appearance energies of most of the observed ionic fragments were determined and the possible fragmentation processes...
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Elimination and migration of hydrogen in the vacuum-ultraviolet photodissociation of pyridine molecules
PublikacjaElimination of the excited hydrogen atoms H(n), n = 4–7, and hydrogen migration in formation of the excited NH(A 3Π) free radicals in the photodissociation of pyridine, C5H5N, molecules have been studied over the 17.5–70 eV photon energy range. In the measurements the photon-induced fluorescence spectroscopy technique has been applied. Both fragments are produced through excitation of pyridine molecules into higher-lying superexcited...
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Scattering of electrons by a 1,2-butadiene (C4H6) molecule: measurements and calculations
PublikacjaWe present the results of experimental and theoretical study on electron collisions with a 1,2-butadiene (H2C=C=CHCH3) molecule. Absolute grand-total cross sections (TCSs) were measured using a linear electron-transmission method for collision energies in the 0.5–300 eV range. Two distinct features in the TCS energy curve were detected: a narrow peak located at 2.3 eV and a broad enhancement centered around 9 eV. We attributed...
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Formation of CN (B2∑+) radicals in the vacuum-ultraviolet photodissociation of pyridine and pyrimidine molecules
PublikacjaFormation of the excited CN(B2∑+) free radicals in the photodissociation of pyridine (C5H5N) and pyrimidine (C4H4N2) molecules was investigated over the energy ranges 16–27 and 14.7–25 eV, respectively. Photon-induced fluorescence spectroscopy was applied to detect the vibrationally and rotationally excited CN radicals by recording the B2∑+→X2∑+ emission bands (violet system). The measured dissociation yield curves demonstrate...
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Measurements of photoionization of mercury atoms into the 6s 2S1/2, 5d96s2 2D5/2 and 5d96s2 2D3/2 ionic states over the energy range from 10.5 eV to 18.7 eV
PublikacjaPhotoionization of mercury atoms into the three lowest ionic states, 5d106s 2S1/2, 5d96s2 2D5/2 and 5d96s2 2D3/2 has been studied in the photon energy ranges from their respective thresholds to 18.7 eV. The photoionization spectra were obtained with high energy resolution at an angle of 0° with respect to the polarization vector of the photon beam. The high energy resolution and sensitivity achieved in the measurements permitted...
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Scattering of electrons from acetaldehyde and acetone
PublikacjaZmierzono całkowity przekrój czynny (TCS) na rozproszenie elektronów na drobinach acetaldehydu (CH3)CHO oraz acetonu (CH3)2CHO w zakresie energii zderzenia 0.7 - 400 eV. Charakter otrzymanych zależności energetycznych TCS jest typowy dla drobin o wysokim momencie dipolowym. Wyniki porównano z przekrojami czynnymi dla izomerów cyklicznych odpowiadających obu drobinom.
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Electron scattering cross sections for 1-pentene, H2C=CH-(CH2)2CH3, molecules
PublikacjaCross sections, both experimental and theoretical, are reported for electron scattering from 1-pentene (C5H10) molecules. Absolute grand-total cross sections (TCSs) were measured at electron impact energies ranging from 1 to 300 eV, using a linear electron-transmission technique. The dominant behaviour of the experimental TCS energy function is a distinct asymmetric enhancement with the maximum located around 6.5 eV. Discernible...
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Calculation of electron scattering lengths on Ar, Kr, Xe, Rn and Og atoms
PublikacjaFocusing on the noble gases, we calculate the scattering potential using the Dirac-Coulomb Hamiltonian supplemented with a model polarization potential. We determine the scattering lengths using two methods, namely phase shifts for very small scattering energies and the shape of the wave function for zero scattering energy. We compare our theoretical electron scattering length results on Ar, Kr and Xe atoms with existing experimental...
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Theoretical and experimental study on scattering of low-energy electrons by dimethyl and diethyl ethers
PublikacjaWe report a joint theoretical and experimental investigation on low-energy electron scattering by dimethyl and diethyl ethers. The experimental elastic differential cross sections were measured at impact energies from 1 eV up to 30 eV and scattering angle range of 10◦ to 130◦. Theoretical elastic differential, integral and momentum-transfer cross sections are calculated at impact energies up to 30 eV, employing the Schwinger multichannel...
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Low energy inelastic electron scattering from carbon monoxide: I. excitation of the a3Π, a’3Σ+ and AΠ1 electronic states.
PublikacjaDifferential scattering cross sections for electron excitation of the three lowest excited electron states of carbon monoxide are obtained experimentally using low-energy electron energy-loss spectroscopy and theoretically using the R-matrix method. The incident electron energies range from near-threshold of 6.3 eV to 20 eV. Experimental scattering angles range from 20◦ to 120◦. The normalization of the experimental cross sections...
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The basis set, scattering wavefunction and Schwinger variational principle: an application for low energy positron-atom scattering
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Corrigendum: Semiempirical models for low energy positron scattering by Ar, Kr and Xe (2019 J. Phys. B: At. Mol. Opt. Phys. 52 215201)
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Ionization and ionic fragmentation of tetrahydrofuran molecules by electron collisions
PublikacjaElectron impact ionization and ionic fragmentation of tetrahydrofuran molecules in the gas phase were studied in the energy range from ionization threshold up to 150 eV using the technique of mass spectrometry. The cation mass spectra, ionization and ionic fragmentation efficiencies were measured over this energy range. Well-resolved mass peaks were detected in the mass range 10-72 amu and assigned to corresponding ionic molecular...
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O 1s excitation and ionization processes in the CO2 molecule studied via detection of low-energy fluorescence emission
PublikacjaOxygen 1s excitation and ionization processes in the CO2 molecule have been studied with dispersed and non-dispersed fluorescence spectroscopy as well as with the vacuum ultraviolet (VUV) photon-photoion coincidence technique. The intensity of the neutral O emission line at 845 nm shows particular sensitivity to core-to-Rydberg excitations and core-valence double excitations, while shape resonances are suppressed. In contrast,...
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Electron scattering from hexafluoroacetone molecules: cross section measurements and calculations
PublikacjaZmierzono absolutne całkowite przekroje czynne na zderzenie elektronów z drobinami hexafluoroacetonu (HFA). Pomiary przeprowadzono dla energii zderzenia od 1 do 400 eV. Zależność energetyczna przekroju czynnego wykazała obecność struktur związanych z procesami o charakterze rezonansowym. Wykonano obliczenia sprężystego i jonizacyjnego przekroju czynnego dla drobin HFA i acetonu. Suma obliczonych przekrojów wykazuje dużą zgodność...
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Total electron-scattering cross section measurements for tetrahydropyran, (CH2)5O, molecules
PublikacjaZmierzono całkowity przekrój czynny (TCS) na rozproszenie elektronów na drobinach tetrahydropyranu. Pomiary przeprowadzono metodą transmisyjną w zakresie energii zderzenia 1 - 400 eV. Otrzymana zależność energetyczna TCS wskazuje na obecność procesów rezonansowych w zakresie 3 - 15 eV. Wyniki porównano z całkowitymi przekrojami czynnymi dla drobin tetrahydrofuranu i alkoholu alfa-tetrahydrofurfurylowego.
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Magnetizability of the relativistic hydrogen-like atom: applicayion of the Sturmian expansion of the first-order Dirac-Coulomb Green function
PublikacjaStosując rozwinięcie sturmowskie funkcji Greena-Diraca-Coulomba, znaleziono wyrażenie analityczne dla magnetyzowalności relatywistycznego atomu wodoro-podobnego w stanie podstawowym.