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Author |
Grünewald, L.; Chezganov, D.; De Meyer, R.; Orekhov, A.; Van Aert, S.; Bogaerts, A.; Bals, S.; Verbeeck, J. |
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Title |
In Situ Plasma Studies Using a Direct Current Microplasma in a Scanning Electron Microscope |
Type |
A1 Journal Article |
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Year |
2024 |
Publication |
Advanced Materials Technologies |
Abbreviated Journal |
Adv Materials Technologies |
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Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
Microplasmas can be used for a wide range of technological applications and to improve the understanding of fundamental physics. Scanning electron microscopy, on the other hand, provides insights into the sample morphology and chemistry of materials from the mm‐ down to the nm‐scale. Combining both would provide direct insight into plasma‐sample interactions in real‐time and at high spatial resolution. Up till now, very few attempts in this direction have been made, and significant challenges remain. This work presents a stable direct current glow discharge microplasma setup built inside a scanning electron microscope. The experimental setup is capable of real‐time in situ imaging of the sample evolution during plasma operation and it demonstrates localized sputtering and sample oxidation. Further, the experimental parameters such as varying gas mixtures, electrode polarity, and field strength are explored and experimental<italic>V</italic>–<italic>I</italic>curves under various conditions are provided. These results demonstrate the capabilities of this setup in potential investigations of plasma physics, plasma‐surface interactions, and materials science and its practical applications. The presented setup shows the potential to have several technological applications, for example, to locally modify the sample surface (e.g., local oxidation and ion implantation for nanotechnology applications) on the µm‐scale. |
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001168639900001 |
Publication Date |
2024-02-25 |
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ISSN |
2365-709X |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
6.8 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
L.G., S.B., and J.V. acknowledge support from the iBOF-21-085 PERsist research fund. D.C., S.V.A., and J.V. acknowledge funding from a TOPBOF project of the University of Antwerp (FFB 170366). R.D.M., A.B., and J.V. acknowledge funding from the Methusalem project of the University of Antwerp (FFB 15001A, FFB 15001C). A.O. and J.V. acknowledge funding from the Research Foundation Flanders (FWO, Belgium) project SBO S000121N. |
Approved |
Most recent IF: 6.8; 2024 IF: NA |
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Call Number |
EMAT @ emat @c:irua:204363 |
Serial |
8995 |
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Author |
Vandemeulebroucke, D.; Batuk, M.; Hajizadeh, A.; Wastiaux, M.; Roussel, P.; Hadermann, J. |
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Title |
Incommensurate Modulations and Perovskite Growth in LaxSr2–xMnO4−δAffecting Solid Oxide Fuel Cell Conductivity |
Type |
A1 Journal Article |
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Year |
2024 |
Publication |
Chemistry of Materials |
Abbreviated Journal |
Chem. Mater. |
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A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
Ruddlesden-Popper La????Sr2−????MnO4−???? materials are interesting symmetric solid oxide
fuel cell electrodes due to their good redox stability, mixed ionic and electronic conducting behavior and thermal expansion that matches well with common electrolytes. In reducing environments – as at a solid oxide fuel cell anode – the x = 0.5 member, i.e. La0.5Sr1.5MnO4−????, has a much higher total conductivity than compounds with a different La/Sr ratio, although all those compositions have the same K2NiF4-type I4/mmm structure. The origin for this conductivity difference is not yet known in literature. Now, a combination of in-situ and ex-situ 3D electron diffraction, high-resolution imaging, energy-dispersive X-ray analysis and electron energy-loss spectroscopy uncovered clear differences between x=0.25 and x=0.5 in the pristine structure, as well as in the transformations upon high-temperature reduction. In La0.5Sr1.5MnO4−????, Ruddlesden-Popper n=2 layer defects and an amorphous surface layer are present, but not in La0.25Sr1.75MnO4−????. After annealing at 700°C in 5% H2/Ar, La0.25Sr1.75MnO4−???? transforms to a tetragonal 2D incommensurately modulated structure with modulation vectors ⃗????1 = 0.2848(1) · (⃗????* +⃗????*) and ⃗????2 =0.2848(1) · (⃗????* – ⃗????*), whereas La0.5Sr1.5MnO4−???? only partially transforms to an orthorhombic 1D incommensurately modulated structure,
with ⃗???? = 0.318(2) · ⃗????*. Perovskite domains grow at the crystal edge at 700°C in 5%
H2 or vacuum, due to the higher La concentration on the surface compared to the bulk, which leads to a different thermodynamic equilibrium. Since it is known that a lower degree of oxygen vacancy ordering and a higher amount of perovskite blocks enhance oxygen mobility, those differences in defect structure and structural transformation upon reduction, might all contribute to the higher conductivity of La0.5Sr1.5MnO4−???? in solid oxide fuel cell anode conditions compared to other La/Sr ratios. |
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English |
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001174840900001 |
Publication Date |
2024-02-20 |
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0897-4756 |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
8.6 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
Universiteit Antwerpen, BOF TOP 38689 ; Fonds Wetenschappelijk Onderzoek, I003218N ; European Commission NanED, 956099 ; |
Approved |
Most recent IF: 8.6; 2024 IF: 9.466 |
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Call Number |
EMAT @ emat @c:irua:204354 |
Serial |
8997 |
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Author |
Mychinko, M. |
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Title |
Advanced Electron Tomography to Investigate the Growth and Stability of Complex Metal Nanoparticles = Geavanceerde Elektronentomografie om de Groei en Stabiliteit van Complexe Metallische Nanodeeltjes te Onderzoeken |
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Doctoral thesis |
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Year |
2024 |
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227 p. |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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During the past decades, metallic nanoparticles (NPs) have attracted great attention in materials science due to their specific optical properties based on surface plasmon resonances. Because of these phenomena, plasmonic NPs (or nanoplasmonics) are very promising for application in biosensing, photocatalysts, medicine, data storage, solar energy conversion, etc. Currently, colloidal synthesis techniques enable scientists to routinely produce mono and bimetallic NPs of various shapes, sizes, composition, and elemental distribution, with superior properties for plasmonic applications. Two primary directions for further advancing nanoplasmonic-based technologies include synthesizing novel morphologies, such as highly asymmetric chiral NPs, and gaining deeper insights into the factors affecting the stability of produced nanoplasmonics. With the increasing complexity of nanoplasmonics morphologies and higher stability requirements, there is a pressing need for thorough investigations into their 3D structures and their evolution under different conditions, with high resolution. Electron tomography (ET) emerges as an ideal tool to retrieve shape and element-sensitive information about individual nanoparticles in 3D, achieving resolutions down to the atomic level. Moreover, ET techniques can be combined with in situ holders, enabling detailed studies of processes mimicking real applications of nanoplasmonic-based devices. The first part of this thesis will focus on detailed studies of chiral Au NPs, promising for spectroscopy techniques based on the differential absorption of left- and right-handed circularly polarized light. Specifically, I will discuss the primary strategies for wet-colloidal growth of the various types of intrinsically chiral Au NPs. Advanced ET methods will be demonstrated as powerful tools for characterizing the final helical morphologies of the produced Au NPs and for studying the chiral growth mechanisms by examining intermediate structures obtained during chiral growth. The second part will focus on the heat-induced stability of various Au@Ag core-shell NPs. Operating in real conditions, such as elevated temperatures, may cause particle reshaping and redistribution of metals between the core and shell, gradually altering nanoplasmonics properties. Hence, a thorough understanding of the influence of size, shape, and defects on these processes is crucial for further developments. Recently developed techniques, combining fast ET with in-situ heating holders, have allowed me to evaluate the influence of various parameters (size, shape, defect structure) on heat-induced elemental redistribution in Au@Ag core-shell nanoparticles qualitatively and quantitatively. Additionally, I will discuss the prospects of high-resolution ET for visualizing the diffusion of individual atoms within complex nanostructures. |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:202976 |
Serial |
9001 |
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Author |
Mescia, L.; Bia, P.; Gielis, J.; Caratelli, D. |
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Title |
Advanced particle swarm optimization methods for electromagnetics |
Type |
P1 Proceeding |
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Year |
2023 |
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109-122
T2 - Proceedings of the 1st International |
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Keywords |
P1 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Electromagnetic design problems involve optimizing multiple parameters that are nonlinearly related to objective functions. Traditional optimization techniques require significant computational resources that grow exponentially as the problem size increases. Therefore, a method that can produce good results with moderate memory and computational resources is desirable. Bioinspired optimization methods, such as particle swarm optimization (PSO), are known for their computational efficiency and are commonly used in various scientific and technological fields. In this article we explore the potential of advanced PSO-based algorithms to tackle challenging electromagnetic design and analysis problems faced in real-life applications. It provides a detailed comparison between conventional PSO and its quantum-inspired version regarding accuracy and computational costs. Additionally, theoretical insights on convergence issues and sensitivity analysis on parameters influencing the stochastic process are reported. The utilization of a novel quantum PSO-based algorithm in advanced scenarios, such as reconfigurable and shaped lens antenna synthesis, is illustrated. The hybrid modeling approach, based on the unified geometrical description enabled by the Gielis Transformation, is applied in combination with a suitable quantum PSO-based algorithm, along with a geometrical tube tracing and physical optics technique for solving the inverse problem aimed at identifying the geometrical parameters that yield optimal antenna performance. |
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2023-11-29 |
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978-90-833839-0-3 |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:201048 |
Serial |
9002 |
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Kovács, A.; Janssens, N.; Mielants, M.; Cornet, I.; Neyts, E.C.; Billen, P. |
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Title |
Biocatalyzed vinyl laurate transesterification in natural deep eutectic solvents |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Waste and biomass valorization |
Abbreviated Journal |
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Pages |
1-12 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Biochemical Wastewater Valorization & Engineering (BioWaVE); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
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Purpose Natural deep eutectic solvents (NADES) represent a green alternative to conventional organic solvents as reaction medium, offering more benign properties. To efficiently design NADES for biocatalysis, a better understanding of their effect on these reactions is needed. We hypothesize that this effect can be described by separately considering (1) the solvent interactions with the substrates, (2) the solvent viscosities and (3) the enzyme stability in NADES. Methods We investigated the effect of substrate solvation and viscosity on the reaction rate; and the stability of the enzyme in NADES. To this end, we monitored the conversion over time of the transesterification of vinyl laurate with 1- butanol by the lipase enzyme Candida antarctica B in NADES of different compounds and molar ratios. Results The initial reaction rate is higher in most NADES ( varying between 1.14 and 15.07 mu mol min(-1) mg(-1)) than in the reference n-hexane (4.0 mu mol min(-1) mg(-1))), but no clear relationship between viscosity and initial reaction rate was found. The increased reaction rate is most likely related to the solvation of the substrate due to a change in the activation energy of the reaction or a change in the conformation of the substrate. The enzyme retained part of its activity after the first 2 h of reaction (on average 20 % of the substrate reacted in the 2-24 h period). Enzyme incubation in ethylene glycol-based NADES resulted in a reduced reaction rate ( 15.07 vs. 3.34 mu mol min(-1) mg(-1)), but this may also be due to slow dissolution of the substrate. Conclusions The effect of viscosity seems to be marginal next to the effect of solvation and possible enzyme-NADES interaction. The enzyme retains some of its activity during the 24-hour measurements, but the enzyme incubation experiments did not yield accurate, comparable values. [GRAPHICS] . |
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001117290800003 |
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2023-12-07 |
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1877-2641; 1877-265x |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.2 |
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Approved |
Most recent IF: 3.2; 2023 IF: 1.337 |
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Call Number |
UA @ admin @ c:irua:202709 |
Serial |
9005 |
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Nakazato, R.; Matsumoto, K.; Yamaguchi, N.; Cavallo, M.; Crocella, V.; Bonino, F.; Quintelier, M.; Hadermann, J.; Rosero-Navarro, N.C.; Miura, A.; Tadanaga, K. |
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Title |
CO2 Electrochemical Reduction with Zn-Al Layered Double Hydroxide-Loaded Gas-Diffusion Electrode (Supporting Information) |
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Dataset |
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2023 |
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Dataset; Electron microscopy for materials research (EMAT) |
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Abstract |
Carbon dioxide electrochemical reduction (CO2ER) has attracted considerable attention as a technology to recycle CO2 into raw materials for chemicals using renewable energies. We recently found that Zn-Al layered double hydroxides (Zn-Al LDH) have the CO-forming CO2ER activity. However, the activity was only evaluated by using the liquid-phase CO2ER. In this study, Ni-Al and Ni-Fe LDHs as well as Zn-Al LDH were synthesized using a facile coprecipitation process and the gas-phase CO2ER with the LDH-loaded gas-diffusion electrode (GDE) was examined. The products were characterized by XRD, STEM-EDX, BF-TEM and ATR-IR spectroscopy. In the ATR-IR results, the interaction of CO2 with Zn-Al LDH showed a different carbonates evolution with respect to other LDHs, suggesting a different electrocatalytic activity. The LDH-loaded GDE was prepared by simple drop-casting of a catalyst ink onto carbon paper. For gas-phase CO2ER, only Zn-Al LDH exhibited the CO2ER activity for carbon monoxide (CO) formation. By using different potassium salt electrolytes affording neutral to strongly basic conditions, such as KCl, KHCO3 and KOH, the gas-phase CO2ER with Zn-Al LDH-loaded GDE showed 1.3 to 2.1 times higher partial current density for CO formation than the liquid-phase CO2ER. |
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001079191200001 |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:200933 |
Serial |
9010 |
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Author |
Gielis, J. |
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Title |
Conquering Mount Improbable |
Type |
P1 Proceeding |
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Year |
2023 |
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Pages |
153-173
T2 - Proceedings of the 1st International |
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Keywords |
P1 Proceeding; Economics; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Our scientific and technological worldviews are largely dominated by the concepts of entropy and complexity. Originating in 19th-century thermodynamics, the concept of entropy merged with information in the last century, leading to definitions of entropy and complexity by Kolmogorov, Shannon and others. In its simplest form, this worldview is an application of the normal rules of arithmetic. In this worldview, when tossing a coin, a million heads or tails in a row is theoretically possible, but impossible in practice and in real life. On this basis, the impossible (in the binary case, the outermost entries of Pascal's triangle xn and yn for large values of n) can be safely neglected, and one can concentrate fully on what is common and what conforms to the law of large numbers, in fields ranging from physics to sociology and everything in between. However, in recent decades it has been shown that what is most improbable tends to be the rule in nature. Indeed, if one combines the outermost entries xn and yn with the normal rules of arithmetic, either addition or multiplication, one obtains Lamé curves and power laws respectively. In this article, some of these correspondences are highlighted, leading to a double conclusion. First, Gabriel Lamé's geometric footprint in mathematics and the sciences is enormous. Second, conic sections are at the core once more. Whereas mathematics so far has been exclusively the language of patterns in the sciences, the door is opened for mathematics to also become the language of the individual. The probabilistic worldview and Lamé's footprint can be seen as dual methods. In this context, it is to be expected that the notions of information, complexity, simplicity and redundancy benefit from this different viewpoint. |
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2023-11-29 |
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978-90-833839-0-3 |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:201045 |
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9014 |
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Annys, A.; Jannis, D.; Verbeeck, J. |
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Core-loss EELS dataset and neural networks for element identification |
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Dataset |
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2023 |
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Dataset; Electron microscopy for materials research (EMAT) |
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We present a large dataset containing simulated core-loss electron energy loss spectroscopy (EELS) spectra with the elemental content as ground-truth labels. Additionally we present some neural networks trained on this data for element identification. The simulated dataset contains zero padded core-loss spectra from 0 to 3072 eV, which represents 107 core-loss edges through all 80 elements from Be up to Bi. The core-loss edges are calculated from the generalised oscillator strength (GOS) database presented by Zhang et al.[1] Generic fine structures using lifetime broadened peaks are used to imitate fine structure due to solid-state effects in experimental spectra. Generic low-loss regions are used to imitate the effect of multiple scattering. Each spectrum contains at least one edge of a given query element and possibly additional edges depending on samples drawn from The Materials Project [2]. The dataset contains for each of the 80 elements: 7000 training spectra, 1500 test spectra, 600 validation spectra and 100 spectra representing only the query element. This results in a total 736 000 labeled spectra. Code on how to – read the simulated data – transform HDF5 format to TFRecord format – train and evaluate neural networks using the simulated data – use the trained networks for automated element identification is available on GitHub at arnoannys/EELS_ID A full report on the simulation of the dataset and the training and evaluation of the neural networks can be found at: Annys, A., Jannis, D. & Verbeeck, J. Deep learning for automated materials characterisation in core-loss electron energy loss spectroscopy. Sci Rep 13, 13724 (2023). https://doi.org/10.1038/s41598-023-40943-7 [1] Zezhong Zhang, Ivan Lobato, Daen Jannis, Johan Verbeeck, Sandra Van Aert, & Peter Nellist. (2023). Generalised oscillator strength for core-shell electron excitation by fast electrons based on Dirac solutions (1.0) [Data set]. Zenodo. https://doi.org/10.5281/zenodo.7729585 [2] Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier, Wei Chen, William Davidson Richards, Stephen Dacek, Shreyas Cholia, Dan Gunter, David Skinner, Gerbrand Ceder, Kristin A. Persson; Commentary: The Materials Project: A materials genome approach to accelerating materials innovation. APL Mater 1 July 2013; 1 (1): 011002. [https://doi.org/10.1063/1.4812323](https://doi.org/10.1063/1.4812323) |
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Most recent IF: NA |
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UA @ admin @ c:irua:203391 |
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9015 |
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Calogiuri, T.; Hagens, M.; Van Groenigen, J.W.; Corbett, T.; Hartmann, J.; Hendriksen, R.; Janssens, I.; Janssens, I.A.; Ledesma Dominguez, G.; Loescher, G.; Mortier, S.; Neubeck, A.; Niron, H.; Poetra, R.P.; Rieder, L.; Struyf, E.; Van Tendeloo, M.; De Schepper, T.; Verdonck, T.; Vlaeminck, S.E.; Vicca, S.; Vidal, A. |
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Design and construction of an experimental setup to enhance mineral weathering through the activity of soil organisms |
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A1 Journal article |
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2023 |
Publication |
Journal of visualized experiments |
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Volume |
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Issue |
201 |
Pages |
e65563-30 |
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A1 Journal article; Engineering sciences. Technology; Internet Data Lab (IDLab); Applied mathematics; Sustainable Energy, Air and Water Technology (DuEL); Plant and Ecosystems (PLECO) – Ecology in a time of change |
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Abstract |
Enhanced weathering (EW) is an emerging carbon dioxide (CO2) removal technology that can contribute to climate change mitigation. This technology relies on accelerating the natural process of mineral weathering in soils by manipulating the abiotic variables that govern this process, in particular mineral grain size and exposure to acids dissolved in water. EW mainly aims at reducing atmospheric CO2 concentrations by enhancing inorganic carbon sequestration. Until now, knowledge of EW has been mainly gained through experiments that focused on the abiotic variables known for stimulating mineral weathering, thereby neglecting the potential influence of biotic components. While bacteria, fungi, and earthworms are known to increase mineral weathering rates, the use of soil organisms in the context of EW remains underexplored. This protocol describes the design and construction of an experimental setup developed to enhance mineral weathering rates through soil organisms while concurrently controlling abiotic conditions. The setup is designed to maximize weathering rates while maintaining soil organisms' activity. It consists of a large number of columns filled with rock powder and organic material, located in a climate chamber and with water applied via a downflow irrigation system. Columns are placed above a fridge containing jerrycans to collect the leachate. Representative results demonstrate that this setup is suitable to ensure the activity of soil organisms and quantify their effect on inorganic carbon sequestration. Challenges remain in minimizing leachate losses, ensuring homogeneous ventilation through the climate chamber, and avoiding flooding of the columns. With this setup, an innovative and promising approach is proposed to enhance mineral weathering rates through the activity of soil biota and disentangle the effect of biotic and abiotic factors as drivers of EW. |
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Wos |
001127854400015 |
Publication Date |
2023-11-12 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1940-087x |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
1.2 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 1.2; 2023 IF: 1.232 |
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Call Number |
UA @ admin @ c:irua:200770 |
Serial |
9019 |
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| Permanent link to this record |
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Author |
Truta, F.M.; Cruz, A.G.; Dragan, A.-M.; Tertis, M.; Cowen, T.; Stefan, M.-G.; Topala, T.; Slosse, A.; Piletska, E.; Van Durme, F.; Kiss, B.; De Wael, K.; Piletsky, S.A.; Cristea, C. |
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Title |
Design of smart nanoparticles for the electrochemical detection of 3,4-methylenedioxymethamphetamine to allow in field screening by law enforcement officers |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Drug testing and analysis |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-14 |
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Keywords |
A1 Journal article; Pharmacology. Therapy; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
A portable and highly sensitive sensor was designed for the specific detection of 3,4-methyl-enedioxy-methamphetamine (MDMA), in a range of field-testing situations. The sensor can detect MDMA in street samples, even when other controlled substances drugs, or adulterants are present. In this work, we report for the first time a sensor using electroactive molecularly imprinted polymer nanoparticles computationally designed to recognize MDMA and then produced using solid phase synthesis. A composite comprising chitosan, reduced graphene oxide, and molecularly imprinted polymer nanoparticles synthesized for MDMA for the first time was immobilized on screen-printed carbon electrodes. The sensors displayed a satisfactory sensitivity (106.8 nA x mu M-1), limit of detection (1.6 nM; 0.31 ng/mL), and recoveries (92-99%). The accuracy of the results was confirmed through validation using Ultra-High Performance Liquid Chromatography coupled with tandem Mass Spectrometry (UPLC-MS/MS). This technology could be used in forensic analysis and make it possible to selectively detect MDMA in street samples. A highly sensitive and portable sensor has been developed to detect MDMA in street samples. It uses electroactive molecularly imprinted polymer nanoparticles computationally designed to recognize MDMA, which were immobilized on screen-printed carbon electrodes with chitosan and graphene. The sensor showed good sensitivity and satisfactory recoveries (92-99%), confirmed with UPLC-MS/MS validation. This technology has the potential to be used in forensic analysis.image |
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Wos |
001107703400001 |
Publication Date |
2023-11-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1942-7603; 1942-7611 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.9 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 2.9; 2023 IF: 3.469 |
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Call Number |
UA @ admin @ c:irua:202058 |
Serial |
9020 |
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| Permanent link to this record |
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Author |
Schram, J. |
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Title |
Electrochemical sensing strategies for multiple illicit drugs |
Type |
Doctoral thesis |
| |
Year |
2024 |
Publication |
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Abbreviated Journal |
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Volume |
|
Issue |
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Pages |
290 p. |
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Keywords |
Doctoral thesis; Pharmacology. Therapy; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
Today, illicit drugs are omnipresent in society. Clandestine markets are growing faster than ever before, record amounts of cocaine are seized in seaports and airports, while the associated violence is spiralling out of control. In addition, drug monitoring centres worldwide are warning for the increasing complexity of the drug markets, as the traditionally popular drugs are joined by countless new synthetic variants, while medical drugs are also increasingly being abused. In order to provide services confronted with illicit drug samples (police, customs, forensic scientists, first responders, …) with important information on the identity of an unknown sample, suitable analytical tests are required. While these exist for laboratory environments, on-site applicable tests are important to accelerate the decision-making process. Electrochemical sensors have all the advantages required for such on-site tests: they are fast, portable, easy-to-use and reliable. Furthermore, they are not influenced by colours, which are frequently added to drug samples to deceive the existing tests. Previous work has mainly focussed on the detection of a single drug per analysis. However, many drugs could be encountered due to the diversity of the drug markets. Therefore, this project developed electrochemical strategies for the detection of multiple drugs simultaneously. First, the electrochemical behaviour of the individual drugs was studied in different measuring conditions (assessing the influence of pH, concentration and temperature). Then, all findings and strategies were combined to detect multiple targets simultaneously. An electrochemical sensor was developed for the four most popular drugs at music festivals: cocaine, MDMA, amphetamine and ketamine. This sensor generates a so-called ‘superfingerprint’ of the sample, which is then automatically interpreted by a developed algorithm in order to produce a straightforward output. Finally, a pill analysis sensor was developed in the context of drug checking services, where a consumer can anonymously have a sample chemically analysed to obtain information on the composition, dose and potentially harmful additives. The sensor achieved an outstanding accuracy in identifying the main component and provided the option to quantify, as well as an indication on the presence of other substances in the sample. The project’s findings demonstrate the potential for electrochemistry in illicit drug detection and provide a basis for the development of new sensors, targeting other drug combinations. |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:203199 |
Serial |
9029 |
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| Permanent link to this record |
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Author |
Deconinck, E.; Polet, M.A.; Canfyn, M.; Duchateau, C.; De Braekeleer, K.; Van Echelpoel, R.; De Wael, K.; Gremeaux, L.; Degreef, M.; Balcaen, M. |
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Title |
Evaluation of an electrochemical sensor and comparison with spectroscopic approaches as used today in practice for harm reduction in a festival setting: a case study : analysis of 3,4-methylenedioxymethamphetamine samples |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Drug testing and analysis |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-13 |
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Keywords |
A1 Journal article; Pharmacology. Therapy; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
More and more countries and organisations emphasise the value of harm reduction measures in the context of illicit drug use and abuse. One of these measures is drug checking, a preventive action that can represent a quick win by tailored consultation on the risks of substance use upon analytical screening of a submitted sample. Unlike drop-in centres that operate within a fixed setting, enabling drug checking in a harm reduction context at events requires portable, easy to use analytical approaches, operated by personnel with limited knowledge of analytical chemistry. In this case study, four different approaches were compared for the characterisation of 3,4-methylenedioxymethamphetamine samples and this in the way the approaches would be applied today in an event context. The four approaches are mid-infrared (MIR), near-infrared, and Raman spectroscopy, which are today used in drug checking context in Belgium, as well as an electrochemical sensor approach initially developed in the context of law enforcement at ports. The MIR and the electrochemical approach came out best, with the latter allowing for a direct straightforward analysis of the percentage 3,4-methylenedioxymethamphetamine (as base equivalent) in the samples. However, MIR has the advantage that, in a broader drug checking context, it allows to screen for several molecules and so is able to identify unexpected active components or at least the group to which such components belong. The latter is also an important advantage in the context of the growing emergence of new psychotropic substances. MIR, NIR, Raman spectroscopy, and an electrochemical sensor (Narcoreader (R)) for MDMA analysis were compared in a realistic harm reduction context. NIR and Raman failed in simple library approaches. MIR and Narcoreader (R) were preferred. MIR came out as first choice. MIR and Narcoreader (R) have complementary (dis)advantages and could be used in a two-step approach: MIR for screening and Narcoreader (R) for dosage/risk evaluation of MDMA samples.image |
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Language |
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Wos |
001122493700001 |
Publication Date |
2023-12-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1942-7603; 1942-7611 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.9 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 2.9; 2023 IF: 3.469 |
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Call Number |
UA @ admin @ c:irua:202047 |
Serial |
9032 |
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| Permanent link to this record |
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Author |
Liu, C.(T.); Alvarez-Martin, A.; Keune, K. |
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Title |
Exploring benzyl alcohol derivatives and related compounds in the cleaning of oil paintings |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Studies in conservation |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-12 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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Abstract |
This study examines five benzyl alcohol derivatives and three chemically similar compounds and compares them against benzyl alcohol in gelled emulsions for the removal of overpaint during cleaning of oil paintings. Comparative cleaning tests using xanthan gels, Pemulen® TR-2 gels, and neat solvent were made on overpaint on fragments of a seventeenth-century test painting. This approach demonstrated that molecular changes to a benzyl alcohol core resulted in enhanced control during the cleaning process. In some cases a benzyl alcohol derivative enabled selective removal of non-original material, when benzyl alcohol appeared to affect the original paint. Select derivatives were also tested in an area of overpaint on a sixteenth-century oil on panel painting by Jan van Scorel in the Rijksmuseum Collection through modifying the chemical activity of benzyl alcohol. Finally, two GC-MS-based methods were used to monitor benzyl alcohol retention and possible oxidation in paint layers post-treatment. |
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Wos |
001027641300001 |
Publication Date |
2023-07-11 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0039-3630; 2047-0584 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
0.8 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 0.8; 2023 IF: 0.578 |
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Call Number |
UA @ admin @ c:irua:201643 |
Serial |
9034 |
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Author |
Koirala, B.; Rasti, B.; Bnoulkacem, Z.; De Lima Ribeiro, A.; Madriz, Y.; Herrmann, E.; Gestels, A.; De Kerf, T.; Janssens, K.; Steenackers, G.; Gloaguen, R.; Scheunders, P. |
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Title |
An extensive multisensor hyperspectral benchmark datasets of intimate mixtures of mineral powders |
Type |
P1 Proceeding |
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Year |
2023 |
Publication |
IEEE International Geoscience and Remote Sensing Symposium proceedings
T2 – IGARSS 2023 – 2023 IEEE International Geoscience and Remote Sensing Symposium, 16-21 July 2023, Pasadena, CA, USA |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
5890-5893
T2 - IGARSS 2023 - 2023 IEEE Internation |
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Keywords |
P1 Proceeding; Economics; Vision lab; Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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Abstract |
Since many materials behave as heterogeneous intimate mixtures with which each photon interacts differently, the relationship between spectral reflectance and material composition is very complex. Quantitative validation of spectral unmixing algorithms requires high-quality ground truth fractional abundance data, which are very difficult to obtain.In this work, we generated a comprehensive hyperspectral dataset of intimate mineral powder mixtures by homogeneously mixing five different clay powders (Kaolin, Roof clay, Red clay, mixed clay, and Calcium hydroxide). In total 325 samples were prepared. Among the 325 samples, 60 mixtures were binary, 150 were ternary, 100 were quaternary, and 15 were quinary. For each mixture (and pure clay powder), reflectance spectra are acquired by 13 different sensors, with a broad wavelength range between the visible and the long-wavelength infrared regions (i.e., between 350 nm and 15385 nm) and with a large variation in sensor types, platforms, and acquisition conditions. We will make this dataset public, to be used by the community for the validation of nonlinear unmixing methodologies (https://github.com/VisionlabUA/Multisensor_datasets) |
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Wos |
001098971606002 |
Publication Date |
2023-10-20 |
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ISSN |
979-83-503-2010-7 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:201596 |
Serial |
9035 |
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Author |
Kollarahithlu, S.C.; Sathiyamoorthy, S.; Thiruvottriyur Shanmugam, S.; De Wael, K.; Das, J.; Veluswamy, P. |
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Title |
Foodborne outbreaks : sources and mode of transmission of foodborne pathogenic microorganisms |
Type |
H1 Book chapter |
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Year |
2023 |
Publication |
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Pages |
93-104
T2 - Global food safety : microbial interve |
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Keywords |
H1 Book chapter; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
The foodborne pathogens and microorganisms have played a prevalent role in the ebb and flow of the economy worldwide. The increasing population has strained the food processing industry to produce food in large quantity, which in turn has affected the quality of food. To curb this issue, there is immense pressure to produce and maintain quality food within a short time frame. Hence, high throughput technology is used to determine and timely assess the safety and hygiene of food. Further, the revolution of the food industry has also seen an upsurge of new pathogens and microorganisms, thereby increasing the risk of exposure towards rarest diseases to a larger population. This chapter sheds light on the different types of foodborne pathogens affecting the food industry and its social impact. It further emphasizes the safety measures to be taken on the prevention of the disease from the farm to the processing industries and in turn to the household. |
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ISBN |
978-1-003-28314-0 |
Additional Links |
UA library record |
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Open Access |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:200591 |
Serial |
9039 |
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Author |
Zhang, Z.; Lobato, I.; Brown, H.; Jannis, D.; Verbeeck, J.; Van Aert, S.; Nellist, P. |
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Title |
Generalised oscillator strength for core-shell electron excitation by fast electrons based on Dirac solutions |
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Dataset |
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2023 |
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Dataset; Electron microscopy for materials research (EMAT) |
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Abstract |
Inelastic excitation as exploited in Electron Energy Loss Spectroscopy (EELS) contains a rich source of information that is revealed in the scattering process. To accurately quantify core-loss EELS, it is common practice to fit the observed spectrum with scattering cross-sections calculated using experimental parameters and a Generalized Oscillator Strength (GOS) database [1]. The GOS is computed using Fermi’s Golden Rule and orbitals of bound and excited states. Previously, the GOS was based on Hartree-Fock solutions [2], but more recently Density Functional Theory (DFT) has been used [3]. In this work, we have chosen to use the Dirac equation to incorporate relativistic effects and have performed calculations using Flexible Atomic Code (FAC) [4]. This repository contains a tabulated GOS database based on Dirac solutions for computing double differential cross-sections under experimental conditions. We hope the Dirac-based GOS database can benefit the EELS community for both academic use and industry integration. Database Details: – Covers all elements (Z: 1-108) and all edges – Large energy range: 0.01 – 4000 eV – Large momentum range: 0.05 -50 Å-1 – Fine log sampling: 128 points for energy and 256 points for momentum – Data format: GOSH [3] Calculation Details: – Single atoms only; solid-state effects are not considered – Unoccupied states before continuum states of ionization are not considered; no fine structure – Plane Wave Born Approximation – Frozen Core Approximation is employed; electrostatic potential remains unchanged for orthogonal states when – core-shell electron is excited – Self-consistent Dirac–Fock–Slater iteration is used for Dirac calculations; Local Density Approximation is assumed for electron exchange interactions; continuum states are normalized against asymptotic form at large distances – Both large and small component contributions of Dirac solutions are included in GOS – Final state contributions are included until the contribution of the previous three states falls below 0.1%. A convergence log is provided for reference. Version 1.1 release note: – Update to be consistent with GOSH data format [3], all the edges are now within a single hdf5 file. A notable change in particular, the sampling in momentum is in 1/m, instead of previously in 1/Å. Great thanks to Gulio Guzzinati for his suggestions and sending conversion script. Version 1.2 release note: – Add “File Type / File version” information [1] Verbeeck, J., and S. Van Aert. Ultramicroscopy 101.2-4 (2004): 207-224. [2] Leapman, R. D., P. Rez, and D. F. Mayers. The Journal of Chemical Physics 72.2 (1980): 1232-1243. [3] Segger, L, Guzzinati, G, & Kohl, H. Zenodo (2023). doi:10.5281/zenodo.7645765 [4] Gu, M. F. Canadian Journal of Physics 86(5) (2008): 675-689. |
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UA library record |
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Open Access |
Not_Open_Access |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:203392 |
Serial |
9042 |
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Author |
Van Echelpoel, R. |
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Title |
Making an impact with voltammetric illicit drug sensors : bridging the gap between fundamental lab research and on-site application |
Type |
Doctoral thesis |
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Year |
2023 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
xxviii, 194 p. |
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Keywords |
Doctoral thesis; Pharmacology. Therapy; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
Illicit drugs are harmful substances, posing a threat to the health and safety of society. Policies, such as supply reduction and harm reduction, are in place to combat the illicit drug problem. Science can play a substantial role in this fight, by providing tools that enable these policies to be successfully enforced. One example are on-site detection tools, i.e. sensors that allow the on-site identification of an illicit drug in a sample of interest. Several technologies, such as color tests and portable spectroscopic techniques, are currently employed for this goal. Although these are valuable techniques, there is an opportunity for voltammetry, an electrochemical technique, to make an impactful addition to this repertoire of on-site detection tools. Despite its attractive features (low-cost, portable, short analysis time, indifference to color,...), voltammetric illicit drug sensor have failed to make an impact in real scenarios. The work outlined in this PhD thesis aims to change this by bringing the technology from the lab to the field. Strategic choices, fueled by feedback from end-users, were made to further develop those specific aspects of the technology that previously haltered the technology to fulfill its potential. A detection algorithm was introduced that converts the voltammetric output into a clear-cut interpretation thereof, opening up the technology to end-users without prior knowledge of the technology. A sensor that allows qualitative and quantitative detection of the psychoactive drug MDMA was introduced, and importantly, validated on a large set of 212 confiscated samples. A state-of-the art mobile application and adequate sampling methodology were developed, alongside other, often more practical studies and product developments, to evolve the technology into a product that truly creates value for end-users. Important steps towards multidrug detection were made with a festival sensor and a flowchart based on visual appearance that ties together a variety of voltammetric single sensors into a single multidrug sensing approach. Last but not least, multiple valorization aspects were researched, including a market study and an analysis to determine the optimal commercialization strategy. Overall, this PhD thesis has facilitated the transition of the voltammetric illicit drug sensing technology from lab to on-site application. The final application creates value for end-users, and is ready to make an impact in real on-site scenarios. |
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ISBN |
987-90-5728-534-7 |
Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:200601 |
Serial |
9055 |
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Author |
Kumar, M.; Sengupta, A.; Kummamuru, N.B. |
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Title |
Molecular simulations for carbon dioxide capture in silica slit pores |
Type |
A3 Journal article |
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Year |
2023 |
Publication |
Materials Today: Proceedings |
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1-9 |
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A3 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
In present work, we have performed the Grand Canonical Monte Carlo (GCMC) simulations to quantify CO2 capture inside porous silica at high operating temperatures of 673.15 K and 873.15 K; and over a operating pressure range of 500 kPa – 4000 kPa that are methane steam reforming process parameters. Related chemical potential values at these thermodynamic conditions are obtained from the bulk phase simulations in the Canonical ensemble in conjunction with Widom’s insertion technique, where the CO2 has been accurately represented by TraPPE force field. Present structure of the porous silica is a single slit pore geometry of various heights (H = 20 Å, 31.6 Å, 63.2 Å and 126.5 Å), dimensions in which possible vapour-liquid equilibria for generic square well fluids has been reported in literature. Estimation of the pore-fluid interactions show a higher interaction between silica pore and adsorbed CO2 compared to the reported pore-fluid interactions between homogeneous carbon slit pore and adsorbed CO2; thus resulting in an enhancement of adsorption inside silica pores of H = 20 Å and H = 126.5 Å, which are respectively 3.5 times and 1.5 times higher than that in homogeneous carbon slit pores of same dimensions and at 673.15 K and 500 kPa. Estimated local density plots indicate the presence of structured layers due to more molecular packing, which confirms possible liquid-like and vapour-like phase coexistence of the supercritical bulk phase CO2 under confinement. |
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Wos |
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Publication Date |
2023-05-06 |
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2214-7853 |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:200944 |
Serial |
9058 |
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Author |
Reijniers, J.; Partoens, B.; Peremans, H. |
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Title |
Noise-resistant correlation-based alignment of head-related transfer functions for high-fidelity spherical harmonics representation |
Type |
P3 Proceeding |
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Year |
2023 |
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Keywords |
P3 Proceeding; Engineering sciences. Technology; Engineering Management (ENM); Condensed Matter Theory (CMT) |
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Abstract |
It is standard practice in virtual reality applications to synthesize binaural audio based on a discrete set of directionally-dependent head-related impulse responses (HRIRs). This set of HRIRs is often time-aligned in a pre-processing step, to allow for high-fidelity interpolation between HRIRs corresponding with neighbouring directions. The fidelity of this operation depends on the similarity of neighbouring aligned HRIRs. The pairwise quality of similarity makes it a difficult criterion to optimize globally and consequently one often resorts to alignment methods based on a specific feature that can be extracted for each HRIR separately, e.g., the first-onset of the peak or the group delay. However, such proxies for similarity are very sensitive to noise and therefore require a high signal-to-noise ratio, which makes them less suitable for processing HRIRs acquired outside an anechoic room. In this paper, we advance a novel alignment method, which maximizes the similarity – defined as the correlation between the full-length HRIRs – between neighbouring aligned HRIRs for all directions at once. We show that this correlation-based alignment procedure outperforms the first-onset alignment with regards to the fidelity of the spherical harmonics representation of both the spectral and interaural time difference (ITD) information, when tested on the KEMAR HRIR and six human HRIRs. Finally, we show that the correlation-based alignment is more robust to noise. |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:199714 |
Serial |
9062 |
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Author |
Gielis, J.; Tavkhelidze, I. |
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Title |
A note on Generalized Möbius-Listing Bodies |
Type |
P1 Proceeding |
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Year |
2023 |
Publication |
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Volume |
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Pages |
31-39
T2 - Proceedings of the 1st International Sy |
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Keywords |
P1 Proceeding; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Generalized Möbius-Listing surfaces and bodies generalize Möbius bands, and this research was motivated originally by solutions of boundary value problems. Analogous to cutting of the original Möbius band, for this class of surfaces and bodies, results have been obtained when cutting such bodies or surfaces. In general, cutting leads to interlinked and intertwined different surfaces or bodies, resulting in very complex systems. However, under certain conditions, the result of cutting can be a single surface or body, which reduces complexity considerably. These conditions are based on congruence and rotational symmetry of the resulting cross sections after cutting, and on the knife cutting the origin |
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Wos |
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Publication Date |
2023-11-29 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
978-90-833839-0-3 |
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Additional Links |
UA library record |
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Open Access |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:201047 |
Serial |
9063 |
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Author |
Yu, C.-P. |
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Title |
Novel imaging methods of transmission electron microscopy based on electron beam scattering and modulation |
Type |
Doctoral thesis |
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Year |
2023 |
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Pages |
x, 154 p. |
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Keywords |
Doctoral thesis; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Transmission electron microscopy (TEM) is a technique that uses an electron beam to analyze materials. This analysis is based on the interaction between the electron beam and the sample, such as photon emission and electron diffraction pattern, to name a few. Sample damage, however, also occurs when such interaction alters the structure of the sample. To ensure information from the undamaged material can be acquired, the electron expense to probe the material is thus limited. In this work, we propose efficient methods for acquiring and processing the information originating from the electron-sample interaction so that the study of the material and the conducting of the TEM experiment can be less hindered by the limited dose usage. In the first part of the work, the relationship between the scattering of the electron and the local physical property of the sample is studied. Based on this relationship, two reconstruction schemes are proposed capable of producing high-resolution images at low-dose conditions. Besides, the proposed reconstructions are not restricted to complete datasets but instead work on pieces of data, therefore allowing live feedback during data acquisition. Such feature of the methods allows the whole TEM experiment to be carried out under low dose conditions and thus further reduces possible beam damage on the studied material. In the second part of the work, we discuss our approach to modulating the electron beam and its benefits. An electrostatic device that can alter the wavefront of the passing electron wave is introduced and characterized. The beam-modulation ability is demonstrated by creating orthogonal beam sets, and applications that exploit the adaptability of the wave modulator are demonstrated with both simulation and experiments. |
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ISBN |
987-90-5728-534-7 |
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UA library record |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:200885 |
Serial |
9064 |
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Author |
Gao, J.; Huang, W.; Gielis, J.; Shi, P. |
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Title |
Plant morphology and function, geometric morphometrics, and modelling : decoding the mathematical secrets of plants |
Type |
ME3 Book as editor |
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Year |
2023 |
Publication |
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Abbreviated Journal |
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Volume |
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Pages |
224 p. |
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Keywords |
ME3 Book as editor; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Delve into the diverse aspects of plant morphology, their responses to global climate change, and the spatiotemporal dynamics of forest productivity. Join us on a journey through the intricate web of plant characteristics and their impact on the environment. |
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Publication Date |
2024-01-02 |
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ISBN |
978-3-0365-9422-4; 978-3-0365-9423-1 |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:201545 |
Serial |
9073 |
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Author |
Xu, W. |
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Title |
Plasma-catalytic DRM : study of LDH derived catalyst for DRM in a GAP plasma system |
Type |
Doctoral thesis |
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Year |
2023 |
Publication |
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Abbreviated Journal |
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Volume |
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Pages |
350 p. |
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Keywords |
Doctoral thesis; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Plasma is considered one of the promising technologies to solve greenhouse gas problems, as it can activate CO2 and CH4 at relatively low temperatures. Among the various types of plasmas, the gliding arc plasmatron (GAP) is promising, as it has a high level of non-equilibrium and high electron density. Nevertheless, the conversion of CO2 and CH4 in the GAP reactor is limited. Therefore, combining the GAP reactor with catalysts and making use of the heat produced by the plasma to provide thermal energy to the catalyst, forming a post-plasma catalytic (PPC) system, is hypothesized to improve its performance. Therefore, in this PhD research, we investigate important aspects of the PPC concept towards the use of the heat produced by GAP plasma to heat the plasma bed, without additional energy input. Aiming at this, based on a literature study (chapter 1), Ni-loaded layered double hydroxide (LDH) derived catalyst with good thermal catalytic DRM performance were chosen as the catalyst material. Before applying the LDH as a support material, the rehydration property of calcined LDH in moist and liquid environment was studied as part of chapter 2. The data indicated that after high temperatures calcination (600-900 C), the obtained layered double oxides (LDOs) can rehydrate into LDH, although, the rehydrated LDH were different from the original LDH. In chapter 3, different operating conditions, such as gas flow rate, gas compositions (e.g. CH4/CO2 ratio and nitrogen dilution), and addition of H2O were studied to investigate optimal conditions for PPC DRM, identifying possible differences in temperature profiles and exhaust gas compositions that might influence the catalytic performance. Subsequently, the impact of different PPC configurations, making use of the heat and exhaust gas composition produced by the GAP plasma, is shown in Chapter 4. Experiments studying the impact of adjusting the catalyst bed distance to the post-plasma, the catalyst amount, the influence of external heating (below 250 C) and the addition of H2O are discussed. As only limited improvement in the performance was achieved, a new type of catalyst bed was designed and utilized, as described in chapter 5. This improved configuration can realize better heat and mass transfer by directly connecting to the GAP device. The performance was improved and became comparable to the traditional thermal catalytic DRM results obtained at 800 C, although obtained by a fully electrically driven plasma. |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:201534 |
Serial |
9074 |
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Author |
Gielis, J.; Brasili, S. |
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Title |
Proceedings of the 1st International Symposium on Square Bamboos and the Geometree (ISSBG 2022) |
Type |
ME3 Book as editor |
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Year |
2023 |
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Volume |
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Issue |
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Pages |
xi, 175 p. |
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Keywords |
ME3 Book as editor; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Publication Date |
2023-11-29 |
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978-90-833839-0-3 |
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UA library record |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:201049 |
Serial |
9077 |
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Author |
Deylgat, E.; Chen, E.; Sorée, B.; Vandenberghe, W.G. |
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Title |
Quantum transport study of contact resistance of edge- and top-contacted two-dimensional materials |
Type |
P1 Proceeding |
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Year |
2023 |
Publication |
International Conference on Simulation of Semiconductor Processes and Devices : [proceedings]
T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 27-29, 2023, Kobe, Japan |
Abbreviated Journal |
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45-48 |
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Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
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Abstract |
We calculate the contact resistance for an edge- and top-contacted 2D semiconductor. The contact region consists of a metal contacting a monolayer of MoS2 which is otherwise surrounded by SiO2. We use the quantum transmitting boundary method to compute the contact resistance as a function of the 2D semiconductor doping concentration. An effective mass Hamiltonian is used to describe the properties of the various materials. The electrostatic potentials are obtained by solving the Poisson equation numerically. We incorporate the effects of the image-force barrier lowering on the Schottky barrier and examine the impact on the contact resistance. At low doping concentrations, the contact resistance of the top contact is lower compared to edge contact, while at high doping concentrations, the edge contact exhibits lower resistance. |
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001117703800012 |
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2023-11-20 |
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978-4-86348-803-8 |
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UA library record; WoS full record |
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Most recent IF: NA |
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UA @ admin @ c:irua:202839 |
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9079 |
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Author |
Derks, K.; Youchaeva, M.; Van der Snickt, G.; Van der Stighelen, K.; Janssens, K. |
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Title |
Reconstructing Sweerts : practical insights into the historical dark halo technique based on paint reconstructions |
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P1 Proceeding |
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Year |
2024 |
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259-271
T2 - Alla maniera : technical art history |
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P1 Proceeding; Engineering sciences. Technology; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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ISSN |
978-90-429-5216-4 |
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UA library record |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:203062 |
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9082 |
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Author |
Poppe, R. |
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Title |
Refining short-range order parameters from diffuse electron scattering |
Type |
Doctoral thesis |
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Year |
2023 |
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Abbreviated Journal |
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Pages |
iv, 150 p. |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Abstract |
Electrons, X-rays and neutrons that pass through a thin crystalline sample will be diffracted. Diffraction patterns of crystalline materials contain Bragg reflections (sharp discrete intensity maxima) and diffuse scattering (a weak continuous background). The Bragg reflections contain information about the average crystal structure (the type of atoms and the average atomic positions), whereas the diffuse scattering contains information about the short-range order (deviations from the average crystal structure that are ordered on a local scale). Because the properties of many materials depend on the short-range order, refining short-range order parameters is essential for understanding and optimizing material properties. The refinement of short-range order parameters has previously been applied to the diffuse scattering in single-crystal X-ray and single-crystal neutron diffraction data but not yet to the diffuse scattering in single-crystal electron diffraction data. In this work, we will verify the possibility to refine short-range order parameters from the diffuse scattering in single-crystal electron diffraction data. Electron diffraction allows to acquire data on submicron-sized crystals, which are too small to be investigated with single-crystal X-ray and single-crystal neutron diffraction. In the first part of this work, we will refine short-range order parameters from the one-dimensional diffuse scattering in electron diffraction data acquired on the lithium-ion battery cathode material Li1.2Ni0.13Mn0.54Co0.13O2. The number of stacking faults and the twin percentages will be refined from the diffuse scattering using a Monte Carlo refinement. We will also describe a method to determine the spinel/layered phase ratio from the intensities of the Bragg reflections in electron diffraction data. In the second part of this work, we will refine short-range order parameters from the three-dimensional diffuse scattering in both single-crystal electron and single-crystal X-ray diffraction data acquired on Nb0.84CoSb. The correlations between neighbouring vacancies and the displacements of Sb and Co atoms will be refined from the diffuse scattering using a Monte Carlo refinement and a three-dimensional difference pair distribution function refinement. The effect of different experimental parameters on the spatial resolution of the observed diffuse scattering will also be investigated. Finally, the model of the short-range Nb-vacancy order in Nb0.84CoSb will also be applied to LiNi0.5Sn0.3Co0.2O2. |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:200610 |
Serial |
9084 |
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Author |
Ysebaert, T.; Samson, R.; Denys, S. |
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Revisiting dry deposition modelling of particulate matter on vegetation at the microscale |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Air quality, atmosphere & health |
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A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Dry deposition is an important process determining pollutant concentrations, especially when studying the influence of urban green infrastructure on particulate matter (PM) levels in cities. Computational fluid dynamics (CFD) models of PM capture by vegetation are useful tools to increase their applicability. The meso-scale models of Zhang et al. (Atmos Environ 35:549-560, 2001) and Petroff and Zhang (Geosci Model Dev 3(2):753-769, 2010) have often been adopted in CFD models, however a comparison of these models with measurements including all PM particle sizes detrimental to health has been rarely reported and certainly not for green wall species. This study presents dry deposition experiments on real grown Hedera helix in a wind tunnel setup with wind speeds from 1 to 4 m s(-1) and PM consisting of a mixture of soot (0.02 – 0.2 mu mu m) and dust particles (0.3 – 10 mu mu m). Significant factors determining the collection efficiency (%) were particle diameter and wind speed, but relative air humidity and the type of PM (soot or dust) did not have a significant influence. Zhang's model outperformed Petroff's model for particles < 0.3 mu mu m, however the inclusion of turbulent impaction in Petroff's model resulted in better agreement with the measurements for particles > 2 – 3 mu mu m. The optimised model had an overall root-mean-square-error of similar to 4% for collection efficiency (CE) and 0.4 cm s-1 for deposition velocity (nu d), which was shown to be highly competitive against previously described models. It can thus be used to model PM deposition on other plant species, provided the correct parameterisation of the drag by this species. A detailed description of the spatial distribution of the vegetation could solve the underestimation for particle sizes of 0.3 – 2 mu mu m. |
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001125841300001 |
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2023-12-14 |
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ISSN |
1873-9318; 1873-9326 |
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UA library record; WoS full record |
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Impact Factor |
5.1 |
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Most recent IF: 5.1; 2023 IF: 3.184 |
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Call Number |
UA @ admin @ c:irua:201986 |
Serial |
9086 |
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Author |
Vervloessem, E. |
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Title |
The role of pulsing and humidity in plasma-based nitrogen fixation : a combined experimental and modeling study |
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Doctoral thesis |
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Year |
2023 |
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358 p. |
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Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Nitrogen (N) is an indispensable building block for all living organisms as well as for pharmaceutical and chemical industry. In a nutshell, N is needed for plants to grow and beings to live and nitrogen fixation (NF) is the process that makes N available for plants as food by converting N2 into a reactive form, such as ammonia (NH3) or nitrogen oxides (NOx), upon reacting with O2 and H2. The aim of this thesis is to elucidate (wet) plasma-based nitrogen fixation with a focus on (1) the role of pulsing in achieving low energy consumption, (2) the role of H2O as a hydrogen source in nitrogen fixation and (3) elucidation of nitrogen fixation pathways in humid air and humid N2 plasma in a combined experimental and computational study. Furthermore, this thesis aims to take into account the knowledge-gaps and challenges identified in the discussion of the state of the art. Specifically, (1) we put our focus on branching out to another way of introducing water into the plasma system, i.e. H2O vapor, (2) we de-couple the problem for pathway elucidation by starting with characterization of the chosen plasma, next a simpler gas mixture and building up from there, (3) we include modelling, though not under wet conditions and (4) we focus on also analyzing species and performance outside liquid H2O. Firstly, based on the reaction analysis of a validated quasi-1D model, we can conclude that pulsing is indeed the key factor for energy-efficient NOx- formation, due to the strong temperature drop it causes. Secondly, the thesis shows that added H2O vapor, and not liquid H2O, is the main source of H for NH3 generation. Related to this, we discuss how the selectivity of plasma-based NF in humid air and humid N2 can be controlled by changing the humidity in the feed gas. Interestingly, NH3 production can be achieved in both N2 and air plasmas using H2O as a H source. Lastly, we identified a significant loss mechanism for NH3 and HNO2 that occurs in systems where these species are synthesized simultaneously, i.e. downstream from the plasma, HNO2 reacts with NH3 to form NH4NO2, which decomposes into N2 and H2O. This reduces the effective NF when not properly addressed, and should therefore be considered in future works aimed at optimizing plasma-based NF. In conclusion, this thesis adds further to the current state of the art of plasma-based NF both in the presence of H2O and in dry systems. |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:197038 |
Serial |
9088 |
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Author |
Peeters, H. |
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Title |
Solar active photocatalytic self-cleaning coatings based on plasmon-embedded titania |
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Doctoral thesis |
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Year |
2023 |
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XX, 125 p. |
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Doctoral thesis; Engineering sciences. Technology |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:201390 |
Serial |
9093 |
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