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Search results for: quantum%20physics
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublicationWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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Electrochemical, theoretical and surface physicochemical studies of the alkaline copper corrosion inhibition by newly synthesized molecular complexes of benzenediamine and tetraamine with π acceptor
PublicationTwo charge transfer complexes, namely [(BDAH)+(PA−)] CT1 [(BTAH)2+(PA−)2] and CT2 (BDAH = 1,2-benzenediamine, BTAH = 1,2,4,5-benzenetetramine, and PA− = 2,4,6-trinitrophenolate), were synthesized and fully characterized using various spectroscopic techniques. CT1 and CT2 were tested as inhibitors to effectively control the uniform and anodic corrosion processes of copper in an alkaline electrolyte (1.0 M KOH) using various electrochemical...
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On the origin of surfaces-dependent growth of benzoic acid crystal inferred through the droplet evaporation method
PublicationCrystal growth behavior of benzoic acid crystals on different surfaces was examined. The performed experiments documented the existence of very strong influence introduced by polar surfaces as glass, gelatin, and polyvinyl alcohol (PVA) on the growth of benzoic acid crystals. These surfaces impose strong orientation effect resulting in a dramatic reduction of number of faces seen with x-ray powder diffractions (XPRD). However,...
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On the origin of surfaces-dependent growth of benzoic acid crystal inferred through the droplet evaporation method
PublicationCrystal growth behavior of benzoic acid crystals on different surfaces was examined. The performed experiments documented the existence of very strong influence introduced by polar surfaces as glass, gelatin, and polyvinyl alcohol (PVA) on the growth of benzoic acid crystals. These surfaces impose strong orientation effect resulting in a dramatic reduction of number of faces seen with x-ray powder diffractions (XPRD). However,...
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On the origin of surfaces-dependent growth of benzoic acid crystal inferred through the droplet evaporation method
PublicationCrystal growth behavior of benzoic acid crystals on different surfaces was examined. The performed experiments documented the existence of very strong influence introduced by polar surfaces as glass, gelatin, and polyvinyl alcohol (PVA) on the growth of benzoic acid crystals. These surfaces impose strong orientation effect resulting in a dramatic reduction of number of faces seen with x-ray powder diffractions (XPRD). However,...
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On coertia and inertia in aspects of Natanson’s nonlinear extended thermodynamics
PublicationIn this article, the previously underrepresented contributions of Natanson to the field of thermodynamics have been presented. In order to identify a source of irreversibility at Nature, Natanson introduced the concept of Coertia, which is similar to inertia. Natanson’s Coertia is a fundamental property of space that is responsible for every irreversible phenomena in matter, as well as in the electromagnetic and gravitational fields....
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Factory Acceptance Test – Strain Gauge Measurement, Report no: WOiO /II/123/2014
PublicationTested object was 40 meters long jib and its foundation, placed in Gdansk Shiprepair Yard, manufactured by KMK. The contruction was dedicated to the passenger cruise vessel "Quantum of the Seas" The Strain Gauge measurement in different location and load situation was done in order to validate calculation finite element models used during strength analysis for project. The expertise contains: methodology of the measurements, description...
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An facile Fortran-95 algorithm to simulate complex instabilities in three-dimensional hyperbolic systems
Open Research DataIt is well know that the simulation of fractional systems is a difficult task from all points of view. In particular, the computer implementation of numerical algorithms to simulate fractional systems of partial differential equations in three dimensions is a hard task which has no been solved satisfactorily. Here, we provide a Fortran-95 code to solve...
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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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Multipartite secret key distillation and bound entanglement
PublicationRecently it has been shown that quantum cryptography beyond pure entanglement distillation is possible and a paradigm for the associated protocols has been established. Here we systematically generalize the whole paradigm to the multipartite scenario. We provide constructions of new classes of multipartite bound entangled states, i.e., those with underlying twisted Greenberger-Horne-Zeilinger (GHZ) structure and nonzero distillable...
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Krzysztof Leja dr hab. inż.
PeopleKrzysztof Leja graduated from the Faculty of Applied Physics at Gdansk University of Technology, PhD in economics, DSc in management. Associate professor and v-ce dean for research at the Faculty of Management and Economics, Gdansk University of Technology. His fields of interest include research of HEIs and policy studies. He is an expert of Polish Rectors Foundation and Ministry of Science and Higher Education. He led and participated...
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THIRD-ORDER EXPONENTIAL INTEGRATOR FOR LINEAR KLEIN–GORDON EQUATIONS WITH TIME AND SPACE-DEPENDANT MASS
PublicationAllowing for space- and time-dependance of mass in Klein–Gordon equations re- solves the problem of negative probability density and of violation of Lorenz covariance of interaction in quantum mechanics. Moreover it extends their applicability to the domain of quantum cosmology, where the variation in mass may be accompanied by high oscillations....
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THIRD-ORDER EXPONENTIAL INTEGRATOR FOR LINEAR KLEIN–GORDON EQUATIONS WITH TIME AND SPACE-DEPENDANT MASS
PublicationAllowing for space- and time-dependance of mass in Klein–Gordon equations re- solves the problem of negative probability density and of violation of Lorenz covariance of interaction in quantum mechanics. Moreover it extends their applicability to the domain of quantum cosmology, where the variation in mass may be accompanied by high oscillations....
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Structural, physicochemical and anticancer study of Zn complexes with pyridyl-based thiazolyl-hydrazones
PublicationThiazolyl-hydrazones (THs) exhibit a wide spectrum of biological activity that can be enhanced by complexation with various metal ions. Zn(II) complexes with α-pyridine-1,3-TH ligands may represent an alternative to the standard platinum-based chemotherapeutics. In addition, they show photoluminescence properties and thus can be regarded as multifunctional materials. In this study, we synthesized and characterized three neutral...
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Analiza oddziaływań w kryształach związków zawierających w strukturze pierścień pirydynowy
PublicationMożliwość tworzenia się wiązań wodorowych jest kluczowym parametrem z punktu widzenia inżynierii kryształu, ponieważ wiązania wodorowe mają bezpośredni wpływ na strukturę oraz trwałość sieci krystalicznej. Głównym celem niniejszej rozprawy doktorskiej była analiza porównawcza wiązań wodorowych występujących w układach, zawierających w strukturze pierścień pirydynowy. Badane układy podzielono na: (1) układy ze związkami krzemosiarkowymi...
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Karol Daliga dr inż.
PeopleIn 2005, he graduated from a mathematics and physics class and passed his secondary school-leaving examination at 1st Secondary School named after Władysław Gebik, former Polish grammar school in Kwidzyn. In the years 2005-2010 he completed master's studies at Faculty of Applied Physics and Mathematics of Gdańsk University of Technology, and in 2008-2012 he completed engineering studies at Faculty of Civil and Environmental Engineering...
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Technical Physics 22
e-Learning CoursesTechnical Physics, ćwiczenia (Inżynieria Danych, 3 semestr)
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ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS
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NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS
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NUOVO CIMENTO DELLA SOCIETA ITALIANA DI FISICA B-Basic Topics in Physics
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NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT
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Electrochemistry from first-principles in the grand canonical ensemble
PublicationProgress in electrochemical technologies, such as automotive batteries, supercapacitors, and fuel cells, depends greatly on developing improved charged interfaces between electrodes and electrolytes. The rational development of such interfaces can benefit from the atomistic understanding of the materials involved by first-principles quantum mechanical simulations with Density Functional Theory (DFT). However, such simulations are...
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Natural Deep Eutectic Solvents as Agents for Improving Solubility, Stability and Delivery of Curcumin
PublicationPurpose Study on curcumin dissolved in natural deep eutectic solvents (NADES) was aimed at exploiting their beneficial properties as drug carriers. Methods The concentration of dissolved curcumin in NADES was measured. Simulated gastrointestinal fluids were used to determine the concentration of curcumin and quantum chemistry computations were performed for clarifying the origin of curcumin solubility enhancement in NADES. Results NADES...
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Trade-offs in multiparty Bell-inequality violations in qubit networks
PublicationTwo overlapping bipartite binary input Bell inequalities cannot be simultaneously violated as this would contradict the usual no-signalling principle. This property is known as monogamy of Bell inequality violations and generally Bell monogamy relations refer to trade-offs between simultaneous violations of multiple inequalities. It turns out that multipartite Bell inequalities admit weaker forms of monogamies that allow for violations...
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Eu2Mg3Bi4: Competing Magnetic Orders on a Buckled Honeycomb Lattice
PublicationThe honeycomb lattice and its derived variants provide information on modeling and designing quantum magnets. A novel magnetic material, Eu2Mg3Bi4, which stabilizes in a previously unknown buckled honeycomb lattice, was discovered by high-pressure and high-temperature methods. We report here on the synthesis exploration of pure single crystals, structural determination of the buckled honeycomb lattice of europium moments, and experimental observation...
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Kamil Andrzej Rybacki mgr inż.
PeopleBorn on 23 October 1993 in Gdańsk. In 2017, I have received the M.Sc. Degree at the Faculty of Applied Physics and Mathematics, Gdańsk University of Technology, Poland. My main fields of interest include computer simulations of molecular systems, parallel computing in application to computational physics methods and development of various simulation software. Currently, my research is focused on the development of hybrid Molecular...
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Is the microfiltration process suitable as a method of removing suspended solids from rainwater?
PublicationDue to climate change and anthropogenic pressure, freshwater availability is declining in areas where it has not been noticeable so far. As a result, the demands for alternative sources of safe drinking water and effective methods of purification are growing. A solution worth considering is the treatment of rainwater by microfiltration. This study presents the results of selected analyses of rainwater runoff, collected from the...
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Soil and groundwater fecal contamination as a result of sewage sludge land application.
PublicationThe release of sludge-born bacteria and their further transport in subsurface was studied. The migration of bacteria was investigated in column experiments which were carried out under the conditions corresponding to naturally occurring extreme rainfall. Coal fly ash as well as coarse and medium grained sand, which properties are similar to the soils present in degraded areas, were used as column beds. Sewage sludge was applied...
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Wpływ mikrosfer-frakcji odpadów paleniskowych na mikrostrukturę i wybrane właściwości uzytkowe
PublicationIn this study, the microspheres samples were collected from national power station „Dolna Odra”. In this study, the following materials were used: Portland cement class 32,5R and aggregates of 2-8 and 8-16 fractions and natural sand with a maximum grain size of 2 mm and water. Concrete mixtures were made with microspheres additions of 15%, 25% and 40%. A constant water to binder ratio (w/b) of 0,52 was used throughout the investigation....
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Charakterystyka wybranych właściwości mikrosfer - frakcji popiołu lotnego - ubocznego produktu spalania węgla kamiennego
PublicationMikrosfery - drobna frakcja popiołów lotnych - powstają w procesie konwencjonalnego spalania węgli kamiennych. Ich zawartość w popiołach lotnych ze spalania różnych gatunków węgla zmieniać się może w szerokim zakresie: od 0,01 do 35,6 wag.%. Pod względem składu chemicznego, głównymi składnikami mikrosfer w formie tlenkowej jest krzem, glin i żelazo, stanowiące około 89% ich masy. Ich skład mineralny stanowią głównie kwarc i mulit....
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Laboratoryjne badania nad możliwością skażenia gruntów i wód podziemnych jako rezultatu stosowania osadów ściekowych
PublicationW pracy przedstawiono cenę zagrożeń związanych z możliwością skażenia gruntów i płytkich wód gruntowych w wyniku stosowania osadów ściekowych na mineralnych gruntach piaszczystych i na popiołach lotnych, o charakterystykach zbliżonych do niektórych terenów zdegradowanych technicznie. Uzyskane wyniki pozwoliły na prześledzenie dynamiki wymywania żywych komórek bakteryjnych z osadu ściekowego oraz ich dalszej retencji w materiale...
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Związki biogenne w osadach ściekowych - zagrożenie dla wód powierzchniowych- badania modelowe. W: I Kongres Inżynierii Środowiska. Materiały. Pod red. M. R. Dudzińskiej, A. Pawlowskiego. Lublin: Komit. Inż. Środow. PAN**2002 s. 533-543, 8 rys. 3 tab. bibliogr. 6 poz. Monografie Komitetu Inżynierii Środowiska Polskiej Akademii Nauk vol. 11.Opublikowano w 2003 r.
PublicationGospodarka osadowa w Polsce była przez wiele lat była problemem marginalnym. Obecnie zgodnie z ustawą o odpadach osady ściekowe zostały zakwalifikowane do odpadów. Jako odpady powinny zatem być poddane odzyskowi - poprzez stosowanie - lub unieszkodliwianiu - realizowanemu np. na drodze ich termicznego przekształcania. Warunki, jakie muszą być spełnione przy stosowaniu osadów ściekowych zostały określone w rozporządzeniu Ministra...
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Praktyczna ocena zalet i wad stosowania osadów ściekowych do rekultywacji terenów zdegradowanych technicznie.
PublicationPrzedstawiono wyniki badań ukierunkowanych na ocenę skuteczności rekultywacji przeprowadzonej na dwóch obszarach zdegradowanych technicznie: składowisku odpadów paleniskowych oraz wyrobisku pożwirowym. Podstawowym celem zrealizowanych prac było określenie chemicznego oddziaływania ustabilizowanych osadów ściekowych na środowisko gruntowe. Udowodniono glebotwórcze właściwości osadów ściekowych, a jednocześnie celowość i zasadność...
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Nitrogen pathways in the environment.
PublicationPraca stanowi wprowadzenie do zbioru artykułów poświęconych wielorakim aspektom badań nad ścieżkami przenoszenia związków azotu, zagrożeniami z tego wynikającymi oraz metodami przeciwdziałania tym zagrożeniom. Przedstawiono w niej bardzo problematykę obiegu kołowego azotu w przyrodzie, zwracając szczególną uwagę na zakłócenia w tym obiegu, będące rezultatem różnorodnej działalności człowieka. Na tle aktualnego stanu wiedzy, krótko...
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Radosław Szmytkowski prof. dr hab.
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Isolation and 3-dimensional Culture of Primary Murine Intestinal Epithelial Cells
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Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
PublicationAb initio quantum chemistry calculations are performed for the mixed alkali triatomic system. Global minima of the ground and first excited doublet states of the trimer are found and Born-Oppenheimer potential energy surfaces of the Li atom interacting with the LiCs molecule were calculated for these states. The lithium atom is placed at various distances and bond angles from the lithium-caesium dimer. Three-body nonadditive forces...
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Jahn-Teller and related conical intersections in the benzene radical cation and the monofluoro derivate
PublicationThe multi-state multi-mode vibronic interactions in the benzene radical cation and its monofluoro derivative have been investigated theoretically, based on high-level electronic structure calculations for the system parameters and a quantum treatment of the nuclear motion. The available experimental data are well reproduced. The interplay of different vibronic coupling mechanisms is pointed out leading to multiple nonadiabatic...
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All Nonclassical Correlations Can Be Activated into Distillable Entanglement
PublicationWe devise a protocol in which general nonclassical multipartite correlations produce a physically relevant effect, leading to the creation of bipartite entanglement. In particular, we show that the relative entropy of quantumness, which measures all nonclassical correlations among subsystems of a quantum system, is equivalent to and can be operationally interpreted as the minimum distillable entanglement generated between the system...
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Free randomness amplification using bipartite chain correlations
PublicationA direct analysis of the task of randomness amplification from Santha-Vazirani sources using the violation of the chained Bell inequality is performed in terms of the convex combination of no-signaling boxes required to simulate quantum violation of the inequality. This analysis is used to find the exact threshold value of the initial randomness parameter from which perfect randomness can be extracted in the asymptotic limit of...
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Inequivalence of entanglement, steering, and Bell nonlocality for general measurements
PublicationEinstein-Podolsky-Rosen steering is a form of inseparability in quantum theory commonly acknowledged to be intermediate between entanglement and Bell nonlocality. However, this statement has so far only been proven for a restricted class of measurements, namely, projective measurements. Here we prove that entanglement, one-way steering, two-way steering, and nonlocality are genuinely different considering general measurements,...
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Binary-Encounter Model for Direct Ionization of Molecules by Positron-Impact
PublicationWe introduce two models for the computation of direct ionization cross sections by positron impact over a wide range of collision energies. The models are based on the binary-encounter-Bethe model and take into account an extension of the Wannier theory. The cross sections computed with these models show good agreement with experimental data. The extensions improve the agreement between theory and experiment for collision energies...
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The possibilities of utilization of bottom sediments from fresh water fish farms on the base of legal status of biosludge utilization'
PublicationHodowle ryb łososiowatych są źródłem stosunkowo niewielkich ilości odpadów, jakim są osady denne, ale które stanowią istotny problem do rozwiązania dla eksploatatora obiektu. Przepisy prawne generalnie pomijają ten aspekt gospodarki odpadami. właściciele stawów hodowlanych radzą sobie z tymi osadami lepiej lub gorzej, ale przeważnie ich działania ukierunkowane są na tzw. przyrodnicze ich wykorzystanie - najczęściej w granicach...
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Dezintegracja niskotemperaturowa jako skuteczny sposób kondycjonowania osadów ściekowych
PublicationRozwój wysokoefektywnych metod biologicznego i chemicznego oczyszczania ścieków w ostatnich latach spowodował znaczący przyrost osadów poprodukcyjnych, których to zagospodarowanie, czy też unieszkodliwianie zaczęło stanowić poważny problem dla ich użytkowników. Dodatkowo wprowadzone w 2010 r. (Dz. U. z 2010 r. nr 137, poz. 924) zaostrzenie przepisów dot. metod i sposobów zagospodarowania osadów pościekowych przyczynia się do szukania...
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Maciej Łuszczek dr hab. inż.
PeopleMaciej Łuszczek born in 1967 in Gdynia. He received the M.Sc. degree in Applied Physics in 1991, the Ph.D. degree in 1999, and the D.Sc. (‘habilitation’) degree in 2015, all from the Gdańsk University of Technology. Since 1991 he has been with the above university, initially at the Faculty of Applied Physics and Mathematics, Department of Solid State Physics, and currently (since 2015) at the Faculty of Electrical and Control Engineering,...
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The luminescence study of Ga1.98–xAlxO3:0.02Cr3+ coumpounds.
Open Research DataA chemical and mechanical pressure-induced photoluminescence tuning method was developed through structural evolution and hydrostatic pressure involving phase transition. A series of Ga1.98−xAlxO3:0.02Cr3+ phosphors were synthesized by collaborators from National Taiwan University. Structural evolution reveals a crystal phase change with the incorporation...
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The luminescence study of Ga2–x(Al0.68In0.32)xO3:Cr3+ coumpounds.
Open Research DataNear-infrared (NIR) phosphor-converted light-emitting diodes (pc-LEDs) are a highly efficient perspective NIR light source, with application hindered by a narrow emission band. In this work, we broaden the emission of a new series of NIR phosphors by controlling crystal structure disorder through cation cosubstitution. By substituting Ga3+ with (Al0.68In0.32)3+,...
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The luminescence study ofNaK2Li[Li3SiO4]4:Ce coumpounds.
Open Research DataPhosphors with a rigid and symmetrical structure are urgently needed. The alkali lithosilicate family (A[Li3SiO4]) has been extensively studied with a narrow emission band due to its unique cuboid-coordinated environment and rigid structure. However, here we demonstrate for the first time Ce-doped NaK2Li[Li3SiO4]4 phosphors with a broad emission band,...
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Poultry (chicken) manure biochar - Scanning Electrone Microscope (SEM) images
Open Research DataThis dataset contains scanning electron microscope images of poultry (chicken) manure biochars produced at different temperature conditions (400, 500, and 600 degrees Celsius). Imaging was carried out with an FEI Quanta FEG250 scanning electron microscope equipped with a SE-ETD detector (secondary electron - Everhart-Thornley detector) and a 20 kV accelerating...
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Vibrational excitation of acetylene by positron impact
PublicationVibrationally inelastic quantum calculations are carried out at low collision energies for the scattering of a beam of positrons off acetylene gaseous molecules. The normal mode analysis is assumed to be valid and the relative fluxes into the C–C and C–H symmetric vibrational modes are computed within a Body-Fixed (BF) formulation of the dynamics by solving the relevant vibrational Coupled Channels (VCC) equations. The clear dominance...