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Search results for: CRYSTAL FACETS ENGINEERING
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CRYSTAL ENGINEERING
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Crystal Facet Engineering of TiO2 from Theory to Application
PublicationRecently, the surface structure effect on photocatalytic activity has gathered increasing attention due to its reported influence on the charge carrier trapping and separation. Detailed control over the surface structure can be achieved by exposing the specific crystal facets. As a result, the photogenerated electrons and holes can be effectively separated between the different facets of semiconductor crystals. TiO2 is the most...
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Liquid crystal thermography and true-colour digital image processing in engineering and biomedical research
PublicationWykład dotyczy zastosowań termografii ciekłokrystalicznej i analizy kolorowych obrazów w nieniszczących badaniach inżynierksich oraz w medycynie.
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Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials
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Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach
PublicationCrystal structures of (H2m4na)NO3 (1), (H2m4na)HSO4 (2), (H2m4na)2SiF6 (3) and (H2m4na)2SiF6*2H2O (4), where 2m4na = 2-methyl-4-nitroaniline, are presented. Two layers of interactions occur in the structures, N—H...O/F hydrogen bonds and interactions with the nitro group. Although diverse, hydrogen-bonding patterns are compared with each other by means of interrelations among elementary graph-set descriptors and descriptors of hydrogen-bonding...
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Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
PublicationAbstract A series of diaminium thiosulfates, derivatives of diamines: NH2CH2CH(CH3)NH2 (1) and NH2(CH2)nNH2, n = 3-6 (2-5 respectively)and thiosulfuric acid were prepared and their structures determined by crystal X-ray diffraction analysis. Compounds 1, 2 and 4 turned out to be hydrates. The crystal structure of 1,2-proylenediaminium thiosulfate is chiral and exhibits spontaneous resolution. Crystals for both enantiomers...
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Variable-temperature X-ray diffraction study of structural parameters of NH---S hydrogen bonds in triethylammonium and pyridinium silanethiolates
PublicationHydrogen bonds in triethylammonium and pyridinium silanethiolate salts have been characterized by X-ray, FT–IR and NMR spectroscopies. DFT calculations reveal strongly asymmetric double-well minima at the potential energy curves of the studied compounds
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Facet effect of TiO2 nanostructures from TiOF2 and their photocatalytic activity
PublicationIn this study, special attention is focused on the design of TiO2 morphology and microstructure in the two-step preparation procedure using TiOF2 as a precursor to study their photodegradation mineralization efficiency. Firstly, TiOF2 was synthesized by a simple solvothermal method using titanium(IV) tetrafluoride, which was further used as a precursor in preparation of anatase 2D nanosheets, octahedral, decahedral, and rectangular prisms...
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Photocatalytic degradation and pollutant-oriented structure-activity analysis of carbamazepine, ibuprofen and acetaminophen over faceted TiO2
PublicationPhotocatalytic degradation of carbamazepine, ibuprofen, acetaminophen and phenol was studied in the presence of anatase photocatalyst, exposing three different crystal facets in the majority of {0 0 1}, {1 0 0} or {1 0 1}. It was found that octahedral anatase particles exposing {1 0 1} facets allow to achieve the best degradation and mineralization of all persistent organic pollutants. This confirms that the previous findings,...
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Wykorzystanie wiązań niekowalencyjnych do otrzymywania jedno- i dwuskładnikowych struktur supramolekularnych
PublicationPrzedstawiona rozprawa doktorska dotyczy badań nad wykorzystaniem oddziaływań międzycząsteczkowych do projektowania i syntezy uporządkowanych struktur krystalicznych, ze szczególnym uwzględnieniem wiązań halogenowych i chalkogenowych jako stosunkowo nowych i bardzo atrakcyjnych z punktu widzenia inżynierii kryształu. Praca podzielona jest na kilka części. Pierwsza z nich stanowi wstęp teoretyczny obejmujący opis, założenia oraz...
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Morphology Regulation Mechanism and Enhancement of Photocatalytic Performance of BiOX (X = Cl, Br, I) via Mannitol-Assisted Synthesis
PublicationBiOX (X = Cl, Br, I) photocatalysts with dominant (110) facets were synthesized via a mannitol-assisted solvothermal method. This is the first report on the exposed (110) facets-, size-, and defects-controlled synthesis of BiOX achieved by solvothermal synthesis with mannitol. This polyol alcohol acted simultaneously as a solvent, capping agent, and/or soft template. The mannitol concentration on the new photocatalysts morphology...
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Insight into (Electro)magnetic Interactions within Facet-Engineered BaFe12O19/TiO2 Magnetic Photocatalysts
PublicationA series of facet-engineered TiO2/BaFe12O19 composites were synthesized through hydrothermal growth of both phases and subsequent deposition of the different, faceted TiO2 nanoparticles onto BaFe12O19 microplates. The well-defined geometry of the composite and uniaxial magnetic anisotropy of the ferrite allowed alternate interfaces between both phases and fixed the orientation between the TiO2 crystal structure and the remanent...
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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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Surface and Trapping Energies as Predictors for the Photocatalytic Degradation of Aromatic Organic Pollutants
PublicationIn this study, anatase samples enclosed by the majority of three different crystal facets {0 0 1}, {1 0 0}, and {1 0 1} were successfully synthesized. These materials were further studied toward photocatalytic degradation of phenol and toluene as model organic pollutants in water and gas phases. The obtained results were analyzed concerning their surface structure, reaction type, and surface development. Moreover, the regression...
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Fine-Tuning the Photocatalytic Activity of the Anatase {1 0 1} Facet through Dopant-Controlled Reduction of the Spontaneously Present Donor State Density
PublicationThe present study highlights the importance of the net density of charge carriers at the ground state on photocatalytic activity of the faceted particles, which can be seen as a highly underexplored problem. To investigate it in detail, we have systematically doped {1 0 1} enclosed anatase nanoparticles with Gd3+ ions to manipulate the charge carrier concentration. Furthermore, control experiments using an analogical Nb5+ doped...
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Facets
Journals -
Grzegorz Boczkaj dr hab. inż.
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CRYSTAL GROWTH & DESIGN
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JOURNAL OF CRYSTAL GROWTH
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Ontology-Aided Software Engineering
PublicationThis thesis is located between the fields of research on Artificial Intelligence (AI), Knowledge Representation and Reasoning (KRR), Computer-Aided Software Engineering (CASE) and Model Driven Engineering (MDE). The modern offspring of KRR - Description Logic (DL) [Baad03] is considered here as a formalization of the software engineering Methods & Tools. The bridge between the world of formal specification (governed by the mathematics)...
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Unraveling a novel microwave strategy to fabricate exposed {001}/{101} facets anatase nanocrystals: Potential for use to the elimination of environmentally toxic metronidazole waste
PublicationThis study present a novel microwave strategy to fabricate highly active anatase particles, exposing {101} and {001} facets. Microwave treatment time was shown to determine the growth of crystals in a certain direction. To the best of our knowledge, it is the first report revealing that the contact time of TiO2 crystals with fluorine ions during the microwave process affects the formed morphology, in particular exposed facets ratio....
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Architecture Civil Engineering Environment
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Cooperativity of Halogen- and Chalcogen-Bonding Interactions in the Self-Assembly of 4‑Iodoethynyl- and 4,7-Bis(iodoethynyl)benzo-2,1,3-chalcogenadiazoles: Crystal Structures, Hirshfeld Surface Analyses, and Crystal Lattice Energy Calculations
PublicationSeveral new 4-iodoethynyl- and 4,7-bis- (iodoethynyl)benzo-2,1,3-chalcogenadiazoles were prepared, and a comprehensive analysis of the most prominent secondary bonding interactions responsible for the crystal self-assembly was performed using X-ray diffraction. The presence of both the iodoethynyl and chalcogenadiazole moieties allows an evaluation of the preference of these molecules to aggregate through either chalcogen- or halogen-bonding...
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Glucosamine-6-phosphate synthase - the multi-facets enzyme
PublicationAmidotransferaza L-glutamina: D-frukozo-6-fosforan, nazywana zwyczajowo syntazą glukozamino-6-fosforanu, jako jedyny enzym należący do grupy amidotransferaz, nie wykazuje aktywności amoniakozależnej. Enzym ten, katalizujący pierwszy wyjątkowy etap w szlaku metabolicznym prowadzącym do ostatecznego wytworzenia 5´difosfourydyno-N-acetylo-D-glukozaminy (UDG-GlcNAc) stanowi ważny punkt kontroli metabolicznej biosyntezy makromolekuł...
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Ultrasonic spectroscopy of silicon single crystal
PublicationSpecimens of Si single crystals with different crystal orientation [100] and [110] were studied by the electro-ultrasonic spectroscopy (EUS) and Resonant Ultrasonic Spectroscopy (RUS). A silicon single crystal is an anisotropic crystal, so its properties are different in different directions in the material relative to the crystal orientation. EUS is based on interaction of two signals: electric AC signal and ultrasonic signal,...
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Polish Conference on Crystal Growth 2022
EventsWelcome to the webpage of the Polish Conference on Crystal Growth 2022! The conference will be held in Gdańsk, Poland on June 19-24, 2022. The event is organized by the Polish Society for Crystal Growth (PTWK) in collaboration with Gdańsk University of Technology and the ENSEMBLE 3 Centre...
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Crystal structure and electronic structure of CePt2In7
PublicationWe report a corrected crystal structure for the CePt2In7 superconductor, refined from single crystal x-ray diffraction data. The corrected crystal structure shows a different Pt–In stacking along the c-direction in this layered material than was previously reported. In addition, all of the atomic sites are fully occupied with no evidence of atom site mixing, resolving a discrepancy between the observed high resistivity ratio of...
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Topochemical, Single‐Crystal‐to‐Single‐Crystal [2+2] Photocycloadditions Driven by Chalcogen‐Bonding Interactions
PublicationThe face-to-face association of (E)-1,2-di(4-pyridyl)ethylene (bpen) molecules into rectangular motifs stabilized for the first time by chalcogen bonding (ChB) interactions is shown to provide photoreactive systems leading to cyclobutane formation through single-crystal-to-single-crystal [2+2] photodimerizations. The chelating chalcogen bond donors are based on original aromatic, ortho-substituted bis(selenocyanato)benzene derivatives...
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Enhanced photocatalytic activity of accordion-like layered Ti3C2 (MXene) coupled with Fe-modified decahedral anatase particles exposing {1 0 1} and {0 0 1} facets
PublicationNew composites consisting of decahedral anatase particles exposing {001} and {101} facets coupled with accordion-like layered Ti3C2 with boosted photocatalytic activity towards phenol and carbamazepine degradation were investigated. The photocatalysts were characterized with X-ray diffraction (XRD), diffuse reflectance spectroscopy (DR/UV–Vis), Brunauer-Emmett-Teller (BET) specific surface area, Raman spectroscopy, scanning electron...
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Crystal growth of CsCl-type Yb0.24Sn0.76Ru
PublicationWzrost kryształów o stechiometrii Yb0.24Sn0.76Ru został przeprowadzony metodą topnikową. Kryształy poddano badaniom dyfrakcyjnym a także mikroskopii elektornowej. Yb0.24Sn0.76Ru krystalizuje w sześciennej strukturze typu chlorku cezu (CsCl).
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Crystal growth of CsCl-type Yb0.24Sn0.76Ru
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Utilization of oriented crystal growth for screening of aromatic carboxylic acids cocrystallization with urea
PublicationThe possibility of molecular complex formation in the solid state of urea with benzoic acid analogues was measured directly on the crystallite films deposited on the glass surface using powder X-ray diffractometry (PXRD). Obtained solid mixtures were also analyzed using Fourier transform infrared spectroscopy (FTIR). The simple droplet evaporation method was found to be efficient, robust, fast and cost-preserving approach for first...
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CRYSTAL RESEARCH AND TECHNOLOGY
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Journal of the Korean Crystal Growth and Crystal Technology
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Sacral sound-engineering
PublicationOrganologic and campanologic acoustical problems due to applications to sacral objects are characterized on ground of numerous reviewed publications and engineering reports. Participations of several involved research centres, mostly Polish, at solving these problems are evaluated. Some desirable future developments are indicated. Appendices bring examples of documentation on selected investigated objects.
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ortho-Fluorobenzanilides and ortho-fluorothiobenzanilides: Molecular conformations and crystal packing
PublicationSeries of 2-fluoro and 2,6-difluorobenzanilides and their thiobenzanilide analogs have been synthesized to investigate the influence of the fluorine atom on their crystal structures and self-assembly in the crystal lattice. The X-ray analysis of the single crystal revealed that the synthesized molecules adopt a geometry being deflected from planarity. The deflection was investigated by analysis of dihedral angles between mean planes...
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Retrospecting Polish Audio Engineering Society Membership on 20th Anniversary of the Polish Section of the Audio Engineering Society
PublicationIn this article some key events concerning founding Polish Section of the Audio Engineering Society were presented. In addition, the history covering International Symposia on Sound Engineering and Mastering was outlined. Also, papers contained in this issue were shortly reviewed.
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Virtual Engineering Object / Virtual Engineering Process: A specialized form of Cyber Physical System for Industrie 4.0
PublicationThis paper reviews the theories, parallels and variances between Virtual Engineering Object (VEO) / Virtual Engineering Process (VEP) and Cyber Physical System (CPS). VEO and VEP is an experience based knowledge representation of engineering objects and processes respectively. Cyber–physical systems (CPSs) are the next generation of engineered systems in which computing, communication, and control technologies are tightly integrated....
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Mulimedia manuals for descriptive geometry and engineering graphics
PublicationThe article discusses issues connected with ICT (Information and Communication Technologies) implementation in Descriptive Geometry and Engineering Graphics Education. The presentation of the issues is supported by the author's multimedia manuals made in Multimedia Flash MX technology and published on the Gdańsk University of Technology net.
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Modulated crystal structures - periodicity in more than three dimensions
PublicationThe initial definition of a crystal was that it is an object with flat faces. When diffraction studies were developed it turned out that crystal consists of a highly ordered particles and it is possible to isolate a small unique part of their structure - a unit cell - and the definition has been changed to rely on this fact. Nowadays by a crystal we mean any solid having an essentially discrete diffraction diagram. It is because...
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Imaging polarimeter with high-accuracy measuring principles in crystal optics
PublicationAn imaging polarimeter based on the principles of high-accuracy polarimetry well known in crystal optics is proposed. The application of scientific digital cameras for performance light measurements leads to precise data on polarizers quality, i.e., maps of extinction ratio and transmission axis. Processing of numerous images, acquired at various settings in the polarizer-sample-analyser system, allows to determine the two-dimensional...
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Procedia Engineering
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Optical rotation in the lithium triborate nonlinear crystal
PublicationA dual-wavelength polarimetric technique at 633 and 661 nm has been used for the characterization of a nonlinear lithium triborate (LiB3O5) nonenantiomorphous biaxial crystal. The mismatch of the crystallographic and optical coordinate systems was taken into account. The optical rotatory power for light propagation along one of the optical axes is ρ = 7.06° mm−1. The gyration tensor component along the bisector between the x and...
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Biomedical Engineering at Gdansk University of Technology
PublicationShort history of education in Biomedical Engineering at Gdansk University of Technology is presented. The last initiative- implementation of the new programme, Biomedical Engineering - an interfaculty direction of study, supported by a grantfinanced by the European Social Fund is presented. Curricula of four specializations: Chemistry in Medicine, run by the Facultyof Chemistry; Electronics in Medicine and Informatics in Medicine,...
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A Comprehensive Review: Applications of the Kozeny–Carman Model in Engineering with Permeability Dynamics
PublicationIn this review article, we investigate the dynamic nature of the Kozeny–Carman Model concerning permeability and its application in engineering contexts. Providing insights into the changing dynamics of permeability within mining, petroleum, and geotechnical engineering, among other engineering applications. While some are complex and require additional modifcations to be applicable, others are simple and still function in specifc...
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Electrical Engineering [Design and Production Engineering][2023/24]
e-Learning CoursesAdditional teaching materials for Electrical Engineering for Design and Production Engineering of the Faculty of Mechanical Engineering and Ship Technology course, conducted at the Faculty of Electrical and Control Engineering - 4'th semester, undergraduate
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Electrical Engineering [Design and Production Engineering][2022/23]
e-Learning CoursesAdditional teaching materials for Electrical Engineering for design and production engineering course at the Faculty of Mechanical Engineering - 4'th semester, undergraduate
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Do Existential Variables Mediate Between Religious-Spiritual Facets of Functionality and Psychological Wellbeing
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Ontology Engineering Aspects in the Intelligent Systems Development
PublicationThe ontology engineering encompasses both, artificial intelligence methods and software engineering discipline. The paper tries to address a selection of aspects pertaining to development activities such as choice of the environmental framework, functionality description, specification methods and roles definition. Authors refer to the ontology development projects they were involved in.
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Synthesis, single crystal growth and properties of Sr5Pb3ZnO12
PublicationAbstract The novel Sr5Pb3ZnO12 oxide was synthesized by the solid-state reaction method. The crystal structure was studied by means of the powder x-ray diffraction Rietveld method and was found to be similar to 3 other previously known Sr5Pb3MO12 compounds (M = Co, Ni, Cu). Crystals of several hundred microns in size of the new phase were grown in molten sodium chloride and imaged using confocal optical and scanning electron microscopy....