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Amiri-Aref, M. |
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Utilization of magnetic nanoparticles and carbon nanotubes to fabrication electrochemical sensors for determination of some important biological and pharmaceutical compounds |
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Doctoral thesis |
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2015 |
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137 p. |
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Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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UA @ admin @ c:irua:128299 |
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8727 |
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van der Snickt, G. |
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James Ensor's pigments studied by means of portable and synchrotron radiation-based X-ray techniques : evolution, context and degradation |
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Doctoral thesis |
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2012 |
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501 p. |
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Doctoral thesis; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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UA @ admin @ c:irua:100628 |
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Derks, K. |
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Scanning Michael Sweerts and Michaelina Wautier : uncovering the working methods of 17th-century Brussels artists by means of MA-XRF examination |
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Doctoral thesis |
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2023 |
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634 p. |
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Doctoral thesis; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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This dissertation focuses on the materials and techniques used by the Brussels artists Michael Sweerts (1618-1664) and Michaelina Wautier (1614-1689). It tries to answer the following research questions: 1.Did 17th-century Brussels-based artists use idiosyncratic painting materials and techniques, and can their work be distinguished from paintings created in other artistic centers based on these materials and techniques? 2.How did Sweerts and Wautier influence each other’s work? In order to answer the research questions, a selection of relevant and representative paintings from Sweerts’ and Wautier’s oeuvre has been studied with MA-XRF scanning and microscopic examination. The results are discussed in volume 2 of this dissertation, and form the basis upon which the chapters in volume 1 are built. MA-XRF scanning is a non-destructive imaging technique based on the technique of X-ray fluorescence (XRF). The technique allows for the collection of elemental information about the materials present in a work of art. The work presented in this dissertation has shed more light on the working methods of Sweerts and Wautier. It has shown they both showed an openness and willingness to continue learning and developing as an artist. Wautier did not feel constrained to work only in one genre and apparently carried on developing her skills throughout her career, as evidenced by Flower Garland with Butterfly. She might have trained with a specialized artist to master their idiosyncratic working methods and this diverse genre. This suggests that Wautier had an interest in art education. Sweerts too had a passion for art education: he was involved in the drawing academy of Camillo Pamphilj in Rome, and later established his own academy for life drawing in Brussels. Sweerts’ work clearly shows the influence of his Italian contemporaries. Whilst living in Rome, he adapted his working methods to local customs such as working on brightly colored grounds. Wautier’s oeuvre shows that she was open to explore different genres and that she took inspiration from her contemporaries, including Theodoor van Loon and Daniël Seghers. In doing so, she furthered the development of different genres as she added original elements to her compositions. It is the conclusion of this dissertation that Michaelina Wautier can thus be considered one of the innovative artists of mid-17th-century Flemish painting, who inspired other artists in the Low Countries, including Michael Sweerts. |
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UA @ admin @ c:irua:197182 |
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8927 |
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Khan, S.U. |
Title |
Singlet oxygen-based photoelectrocatalysis : from photosensitizer structures to plasmonic enhancement |
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Doctoral thesis |
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2023 |
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182 p. |
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Doctoral thesis; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Singlet molecular oxygen (1O2) has continuously attracted researchers' interest because of its involvement in various processes, such as in photodynamic reactions in biological and chemical systems. 1O2 is an effective electrophile and potent oxidizing agent and can be easily generated by photosensitization via the illumination of organic dyes with visible light. As described in Chapter 1, 1O2 has gained prominence in various applications such as wastewater treatment, photodynamic therapy of cancer, organic synthesis, and recently developed 1O2-based photoelectrochemical (PEC) sensing of phenolic compounds. Phenolic compounds are a potential source of contaminants that originates from industrial effluents and waste products of chemical and pharmaceutical industries. These phenolic compounds pose severe threats to humans and aquatic life after reaching the environment. Therefore, it is imperative to develop photoactive materials that efficiently generate 1O2 and oxidize phenolic compounds and antibiotics. The existing 1O2 generating photosensitizers (PSs) include porphyrins, phthalocyanines (Pcs), subphthalocyanines (SubPcs), and other dyes such as derivatives of xanthene (e.g., Rose Bengal (RB)), and fluorinated boron-dipyrromethene (BODIPYs), and phenothiazinium dyes (e. g. Methylene Blue (MB)) which display long-lived triplet excited state and can be used in 1O2-based applications. This thesis focuses on preparing efficient hybrid materials based on newly synthesized Pcs, different surface area titanium dioxide (TiO2) and plasmonic gold nanoparticles (AuNPs) for their use in the PEC detection of phenolic compounds. The first focus was on developing a fast amperometric method to test the photo-electrocatalytic activity of 1O2 producing PSs dissolved in MeOH based on the redox cycling of an electroactive phenolic compound, hydroquinone (HQ) (Chapter 2). This method of testing PSs does not require the accumulation of a reaction product since the amperometric signal develops near instantly when the light is on, which enables dynamic monitoring of a PSs activity at varying conditions in a single experiment. This method was crucial to measure high 1O2 quantum yield and low yield in the same experimental conditions. Moreover, the obtained results revealed a range of working parameters affecting the PEC activity of PSs. The next goal was to immobilize tert-butyl substituted aluminum Pc (t-BuPcAlCl) on the solid support, which showed a high 1O2 quantum yield. However, before immobilizing Pc on a solid support such as TiO2, it is essential to know the electronic energy level of Pcs for the possible electron transfers from Pcs to TiO2. Therefore, Chapter 3 explored the (spectro)electrochemical properties of t-BuPcAlCl Pc. Next, in Chapter 4, t-BuPcAlCl Pc and other tert-butyl substituted Pcs with Zn central metal, t-BuPcZn, and its metal-free derivative t-BuPcH2 were immobilized on different surface area TiO2. The PEC activity of immobilized Pcs on TiO2 toward different phenols and antibiotics was studied, and the action mechanism was revealed and compared with sterically hindered fluorinated Pc F64PcZn. In the final part of this thesis plasmonic AuNPs were introduced combined with trimethylsilane-protected acetylene functionalized ZnPc (TMSZnPc) to study the synergistic effect that boosts the overall activity toward the detection of phenols under visible light illumination (Chapter 5) . The TMSZnPc was coupled with AuNPs via a click chemistry approach. The 1O2 quantum yield of TMSZnPc improved significantly after conjugating with AuNPs, and, subsequently, the PEC activity for detecting HQ. The theoretical and experimental investigation demonstrated that the plasmonic enhancement of TMSZnPc is driven by the near-field mechanism. This shows the importance of plasmonic AuNPs with other photoactive species for their use in 1O2-based applications. The fundamental knowledge obtained in this doctoral study will ultimately deepen the understanding of developing 1O2-based PEC sensors for detecting phenolic compounds and pharmaceuticals in the wastewater stream, helping to choose efficient materials and, in the last instance, a more sustainable future especially access to clean water for everyone. |
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UA @ admin @ c:irua:193342 |
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7337 |
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Neven, L. |
Title |
Singlet oxygen-based photoelectrochemical detection of phenolic contaminants |
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Doctoral thesis |
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2022 |
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234 p. |
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Doctoral thesis; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Phenolic compounds can be found everywhere in our daily lives but exhibit high toxicity, low (bio)degradability and hormone-disrupting effects when they are released in the environment. It is for this reason imperative to develop detection strategies for these pollutants. A promising approach involves the use of a photoelectrochemical (PEC) sensor. In this sensor, a photosensitiser (PS) type II, which generates 1O2 under illumination, is used to oxidise phenolic compounds present in the sample. The oxidised phenols are reduced at the electrode surface leading to the generation of an electrocatalytic redox cycle. In this thesis, an in-depth understanding, through the identification of the reactive oxygen species (ROS) in the PEC sensing mechanism, is obtained. The detection strategy is optimised by choosing the PS with the highest 1O2 production and by optimising the detection parameters so that the PEC sensor can be successfully applied for the detection of phenols in industrial samples. First, it was determined that the use of highly fluorinated zinc phthalocyanine derivatives, F52PcZn and F64PcZn, as photocatalysts was optimal for the sensing of phenol due to their high 1O2 production and improved single-site isolation. However, next to 1O2, it was shown that the ROS O2•- and H2O2 were also generated in the PEC sensor. Their contribution to the photocurrent response was studied by rotating disk electrode measurements in function of the pH and applied potential. After this, the PEC detection strategy was optimised in terms of pH and applied potential for the detection of doxycycline, cefadroxil, and phenol. It was found that the use of alkaline pH-levels led to nmol L-1-level detection limits. The combination with square wave voltammetry (SWV) was, also, proposed to allow the quantification and identification of phenolic compounds in a specific sample. At last, the developed PEC and SWV sensors were applied for the measurement of phenolic compounds in industrial water samples. The PEC sensor could follow the decrease of the phenolic concentration throughout the wastewater treatment process while the SWV sensor provided the electrochemical fingerprints of these samples. The thesis concluded that the use of the PEC sensor was advantageous in the measurement of lower concentrated phenolic samples due to its high sensitivity and fast measurement time in comparison to commercial test kits. |
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UA @ admin @ c:irua:187029 |
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8932 |
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Lembrechts, J.; Clavel, J.; Lenoir, J.; Haider, S.; McDougall, K.; Nunez, M.; Alexander, J.; Barros, A.; Milbau, A.; Seipel, T.; Verbruggen, E.; Nijs, I. |
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Dataset: Roadside disturbance promotes plant communities with arbuscular mycorrhizal associations in mountain regions worldwide |
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2024 |
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Dataset; Plant and Ecosystems (PLECO) – Ecology in a time of change |
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Aim: We aimed to assess the impact of road disturbances on the dominant mycorrhizal types in ecosystems at the global level and how this mechanism can potentially lead to lasting plant community changes. Location: Globally distributed mountain regions Time Period: 2007-2018 Taxa studied: Plants (linked to their associated mycorrhizal fungi) Methods: We used a database of coordinated plant community surveys following mountain roads from 894 plots in 11 mountain regions across the globe in combination with an existing database of mycorrhizal-plant associations in order to approximate the relative abundance of mycorrhizal types in natural and disturbed environments. Results: Our findings show that roadside disturbance promotes the cover of plants associated with arbuscular mycorrhizal (AM) fungi. This effect is especially strong in colder mountain environments and in mountain regions where plant communities are dominated by ectomycorrhizal (EcM) or ericoid-mycorrhizal (ErM) associations. Furthermore, non-native plant species, which we confirmed to be mostly AM plants, are more successful in environments dominated by AM associations. Main Conclusions: These biogeographical patterns suggest that changes in mycorrhizal types could be a crucial factor in the worldwide impact of anthropogenic disturbances on mountain ecosystems. Indeed, roadsides foster AM-dominated systems, where AM-fungi might aid AM-associated plant species while potentially reducing the biotic resistance against invasive non-native species, often also associated with AM networks. Restoration efforts in mountain ecosystems will have to contend with changes in the fundamental make-up of EcM- and ErM plant communities induced by roadside disturbance. |
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UA @ admin @ c:irua:206132 |
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9198 |
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Grünewald, L.; Chezganov, D.; De Meyer, R.; Orekhov, A.; Van Aert, S.; Bogaerts, A.; Bals, S.; Verbeeck, J. |
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Supplementary Information for “In-situ Plasma Studies using a Direct Current Microplasma in a Scanning Electron Microscope” |
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Dataset; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Supplementary information for the article “In-situ Plasma Studies using a Direct Current Microplasma in a Scanning Electron Microscope” containing the videos of in-situ SEM imaging (mp4 files), raw data/images, and Jupyter notebooks (ipynb files) for data treatment and plots. Link to the preprint: https://doi.org/10.48550/arXiv.2308.15123 Explanation of the data files can be found in the Information.pdf file. The Videos folder contains the in-situ SEM image series mentioned in the paper. If there are any questions/bugs, feel free to contact me at lukas.grunewaldatuantwerpen.be |
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UA @ admin @ c:irua:203389 |
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9100 |
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Cioni, M.; Delle Piane, M.; Polino, D.; Rapetti, D.; Crippa, M.; Arslan Irmak, E.; Pavan, G.M.; Van Aert, S.; Bals, S. |
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Data for Sampling Real‐Time Atomic Dynamics in Metal Nanoparticles by Combining Experiments, Simulations, and Machine Learning |
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Dataset; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Even at low temperatures, metal nanoparticles (NPs) possess atomic dynamics that are key for their properties but challenging to elucidate. Recent experimental advances allow obtaining atomic‐resolution snapshots of the NPs in realistic regimes, but data acquisition limitations hinder the experimental reconstruction of the atomic dynamics present within them. Molecular simulations have the advantage that these allow directly tracking the motion of atoms over time. However, these typically start from ideal/perfect NP structures and, suffering from sampling limits, provide results that are often dependent on the initial/putative structure and remain purely indicative. Here, by combining state‐of‐the‐art experimental and computational approaches, how it is possible to tackle the limitations of both approaches and resolve the atomistic dynamics present in metal NPs in realistic conditions is demonstrated. Annular dark‐field scanning transmission electron microscopy enables the acquisition of ten high‐resolution images of an Au NP at intervals of 0.6 s. These are used to reconstruct atomistic 3D models of the real NP used to run ten independent molecular dynamics simulations. Machine learning analyses of the simulation trajectories allows resolving the real‐time atomic dynamics present within the NP. This provides a robust combined experimental/computational approach to characterize the structural dynamics of metal NPs in realistic conditions. |
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UA @ admin @ c:irua:205843 |
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9143 |
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Cautaerts, N.; Lamm, S.; Stergar, E.; Pakarinen, J.; Yang, Y.; Hofer, C.; Schnitzer, R.; Felfer, P.; Verwerft, M.; Delville, R.; Schryvers, D. |
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Atom probe tomography data collection from DIN 1.4970 (15-15Ti) austenitic stainless steel irradiated with Fe ions |
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Dataset; Electron microscopy for materials research (EMAT) |
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This dataset comprises a large collection of atom probe tomography datasets collected from DIN 1.4970 alloy that was irradiated with Fe ions at different conditions. The DIN 1.4970 alloy is an austenitic stainless steel with 15 wt% Cr, 15 wt% Ni, a small addition of Ti. The full composition and characterization of our material can be found published elsewhere [1,2]. Some of our material was subjected to ageing heat treatments at different temperatures for different times. Small samples of our original material and aged material was irradiated at the Michigan Ion Beam Laboratory in 2017 with 4.5 MeV Fe ions up to 40 dpa at an average dose rate of 2×10−4 dpa/s. This was done at three different temperatures: 300, 450, and 600 ºC. Atom probe samples were made of the irradiated layers (approximately 1.5 micron deep) with focused ion beam and mounted on Microtip coupons. APT measurements took place on three CAMECA LEAP-HR systems located at CAES in Idaho Falls, USA (files beginning with R33), at Montanuniversität Leoben in Leoben, Austria (R21) and at Friedrich–Alexander University in Erlangen, Germany (R56). |
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UA @ admin @ c:irua:169127 |
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6454 |
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Skorikov, A.; Heyvaert, W.; Albrecht, W.; Pelt, D.M.; Bals, S. |
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EMAT Simulated 3D Nanoparticle Structures Dataset |
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2021 |
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Dataset; Electron microscopy for materials research (EMAT) |
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This dataset contains 1000 simulated nanoparticle-like 3D structures and noisy EDX-like elemental maps based on them. These data are intended to be used for quantitative analysis of data processing methods in (EDX) tomography of nanoparticles and training the data-driven approaches for these tasks. The dataset is structured as follows: voxel_data/clean 3D voxel grid representation of the simulated nanoparticles. Voxel intensities are adjusted so that the total intensity equals 103. All 3D structures have unique identifiers in 0..999 range. The data derived from a 3D structure preserves this unique identifier. sinograms/clean Tilt series of projection images obtained from the corresponding 3D structures over an angular range of -75..75 degrees with a tilt step of 10 degrees to simulate a typical tilt series used in EDX tomography. Total intensity in each projection image equals 103. sinograms/noisy Tilt series of projection images corrupted with Poisson noise and an additional spatially uniform background noise. projections/clean Projection images extracted from the clean tilt series at 0 degrees tilt angle. projections/noisy Projection images extracted from the noisy tilt series at 0 degrees tilt angle. images/clean Visualizations of the clean projections as PNG images with the intensity range adjusted to 0..255 images/noisy Visualizations of the noisy projections as PNG images with the intensity range adjusted to 0..255 |
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UA @ admin @ c:irua:180615 |
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6838 |
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Guzzinati, G.; Das, P.P.; Zompra, A., A.; Nicopoulos, S.; Verbeeck, J. |
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Electron energy loss spectra of several organic compounds |
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2020 |
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Dataset; Electron microscopy for materials research (EMAT) |
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We placed crystals of different compounds to explore the possibility of fingerprinting them through EELS. Here are representative datasets of 7 different compounds: b-cyclodextrin hexacarboxy cyclohexane tannin TH-15 peptide TH-27 peptide two different forms of piroxicam The datasets were collected at EMAT, using a monochromated FEI Titan3 TEM, within the scope of an EUSMI request. More information as well as analysis methodologies adopted for the data are detailed in the paper: Das et al. “Reliable Characterization of Organic & Pharmaceutical Compounds with High Resolution Monochromated EEL Spectroscopy”, Polymers 2020, 12(7), 1434. |
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UA @ admin @ c:irua:180654 |
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6866 |
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Samaeeaghmiyoni, V.; Cordier, P.; Demouchy, S.; Bollinger, C.; Gasc, J.; Mussi, A.; Schryvers, D.; Idrissi, H. |
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Research data supporting for Stress-induced amorphization triggers deformation in the lithospheric mantle |
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Dataset; Electron microscopy for materials research (EMAT) |
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Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:180668 |
Serial |
6881 |
Permanent link to this record |
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Author |
Guzzinati, G.; Béché, A.; McGrouther, D.; Verbeeck, J. |
Title |
Rotation of electron beams in the presence of localised, longitudinal magnetic fields |
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Dataset |
Year |
2019 |
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Dataset; Electron microscopy for materials research (EMAT) |
Abstract |
Electron Bessel beams have been generated by inserting an annular aperture in the illumination system of a TEM. These beams have passed through a localised magnetic field. As a result a low amount of image rotation (which is expected to be proportional to the longitudinal component of the magnetic field) is observed in the far field. A measure of this rotation should give access to the magneti field. The two datasets have been acquired in a FEI Titan3 microscope, operated at 300kV. The file focalseries.tif contains a series of images acquired varying the magnetic field through the objective lens. The file lineprofile.ser contains a series of images acquired by scanning the beam over a sample with several magnetised nanopillars. For reference, check the associated publication. |
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no |
Call Number |
UA @ admin @ c:irua:169135 |
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6883 |
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Author |
Jannis, D.; Müller-Caspary, K.; Béché, A.; Oelsner, A.; Verbeeck, J. |
Title |
Spectrocopic coincidence experiment in transmission electron microscopy |
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Dataset |
Year |
2019 |
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Dataset; Electron microscopy for materials research (EMAT) |
Abstract |
This dataset contains individual EEL and EDX events where for every event (electron or X-ray), their energy and time of arrival is stored. The experiment was performed in a transmission electron microscope (Tecnai Osiris) at 200 keV. The material investigated is an Al-Mg-Si-Cu alloy. The 'full_dataset.mat' contains the full dataset and the 'subset.mat' has the first five frames of the full dataset. The attached 'EELS-EDX.ipynb' is a jupyter notebook file. This file describes the data processing in order to observe the temporal correlation between the electrons and X-rays. |
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no |
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UA @ admin @ c:irua:169112 |
Serial |
6888 |
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Author |
Idrissi, H.; Samaee, V.; Lumbeeck, G.; van der Werf, T.; Pardoen, T.; Schryvers, D.; Cordier, P. |
Title |
Supporting data for “In situ Quantitative Tensile Tests on Antigorite in a Transmission Electron Microscope” |
Type |
Dataset |
Year |
2019 |
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Dataset; Electron microscopy for materials research (EMAT) |
Abstract |
The determination of the mechanical properties of serpentinites is essential towards the understanding of the mechanics of faulting and subduction. Here, we present the first in situ tensile tests on antigorite in a transmission electron microscope. A push-to-pull deformation device is used to perform quantitative tensile tests, during which force and displacement are measured, while the microstructure is imaged with the microscope. The experiments have been performed at room temperature on beams prepared by focused ion beam. The specimens are not single crystals despite their small sizes. Orientation mapping indicated that some grains were well-oriented for plastic slip. However, no dislocation activity has been observed even though engineering tensile stress went up to 700 MPa. We show also that antigorite does not exhibit an pure elastic-brittle behaviour since, despite the presence of defects, the specimens underwent plastic deformation and did not fail within the elastic regime. Instead, we observe that strain localizes at grain boundaries. All observations concur to show that under our experimental conditions, grain boundary sliding is the dominant deformation mechanism. This study sheds a new light on the mechanical properties of antigorite and calls for further studies on the structure and properties of grain boundaries in antigorite and more generally in phyllosilicates. |
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UA @ admin @ c:irua:169107 |
Serial |
6891 |
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Author |
Nakazato, R.; Matsumoto, K.; Yamaguchi, N.; Cavallo, M.; Crocella, V.; Bonino, F.; Quintelier, M.; Hadermann, J.; Rosero-Navarro, N.C.; Miura, A.; Tadanaga, K. |
Title |
CO2 Electrochemical Reduction with Zn-Al Layered Double Hydroxide-Loaded Gas-Diffusion Electrode (Supporting Information) |
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Dataset |
Year |
2023 |
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Keywords ![sorted by Keywords field, descending order (down)](img/sort_desc.gif) |
Dataset; Electron microscopy for materials research (EMAT) |
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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UA library record; WoS full record |
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Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:200933 |
Serial |
9010 |
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Author |
Annys, A.; Jannis, D.; Verbeeck, J. |
Title |
Core-loss EELS dataset and neural networks for element identification |
Type |
Dataset |
Year |
2023 |
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Dataset; Electron microscopy for materials research (EMAT) |
Abstract |
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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Call Number |
UA @ admin @ c:irua:203391 |
Serial |
9015 |
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Author |
Zhang, Z.; Lobato, I.; Brown, H.; Jannis, D.; Verbeeck, J.; Van Aert, S.; Nellist, P. |
Title |
Generalised oscillator strength for core-shell electron excitation by fast electrons based on Dirac solutions |
Type |
Dataset |
Year |
2023 |
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Keywords ![sorted by Keywords field, descending order (down)](img/sort_desc.gif) |
Dataset; Electron microscopy for materials research (EMAT) |
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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Not_Open_Access |
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Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:203392 |
Serial |
9042 |
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Author |
Guzzinati, G.; Ghielens, W.; Mahr, C.; Béché, A.; Rosenauer, A.; Calders, T.; Verbeeck, J. |
Title |
Electron Bessel beam diffraction patterns, line scan of Si/SiGe multilayer |
Type |
Dataset |
Year |
2019 |
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Keywords ![sorted by Keywords field, descending order (down)](img/sort_desc.gif) |
Dataset; ADReM Data Lab (ADReM); Electron microscopy for materials research (EMAT) |
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no |
Call Number |
UA @ admin @ c:irua:169114 |
Serial |
6865 |
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Author |
Van Oijstaeijen, W. |
Title |
Green infrastructure and local implementation : (green) bridging the gap between research and practice |
Type |
Administrative Services |
Year |
2023 |
Publication |
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Pages |
xvii, 194 p. |
Keywords ![sorted by Keywords field, descending order (down)](img/sort_desc.gif) |
Administrative Services; Doctoral thesis; Engineering sciences. Technology; Engineering Management (ENM) |
Abstract |
Climate change is an ever-increasing threat to our planet, with the urbanisation of previously open spaces exacerbating the issue. The loss of open space leads to a decrease in ecosystem services, which negatively impacts the liveability in urbanised environments, and beyond. The incorporation of green infrastructure (GI) into the built environment is acknowledged as an effective and multi-functional measure to make our living environment resilient and future-proof. Notwithstanding that the local level is essential for effective GI implementation, research into local decision making is very limited. This thesis therefore aims to address two significant gaps in the implementation of GI. The first objective is to bridge the science-policy gap by integrating scientific knowledge on ES and GI into local decision-making processes. In this context, the policy dimension within this thesis involves the process of translating overarching policy objectives into practical actions within local decision-making practices, abstracting from the intricacies of higher-level policymaking itself. The second objective focuses on the people-policy gap, which involves understanding stakeholders' perspectives and priorities regarding GI and its associated ecosystem services. Through stated preference valuation techniques (discrete choice experiments and a best-worst scaling experiment), multi-stakeholder GI perceptions are gathered. Finally, a novel tool to GI valuation is developed, acknowledging the different stakeholder views and building on the insights of collaborative tool development and design. By gaining insights into the demand, prioritisation, and provision of GI from the two most important stakeholder groups at the local level (residents and local decision-makers), this research aims to foster effective communication and alignment between public preferences and policy implementation. Ultimately, addressing these gaps will contribute to more informed planning and decision-making practices related to green infrastructure. The overall goal of this thesis is to enhance the uptake of GI knowledge in the local decision-making context, proposing pathways to facilitate and optimise investments in public GI. |
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978-90-5728-814-2 |
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Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:199925 |
Serial |
9206 |
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Author |
Finizola e Silva, M.; Cools, J.; Cools, J.; Van Passel, S. |
Title |
A systematic review identifying the drivers and barriers to the adoption of climate-smart agriculture by smallholder farmers in Africa |
Type |
Administrative Services |
Year |
2024 |
Publication |
Frontiers in environmental economics |
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3 |
Issue |
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Pages |
1356335-14 |
Keywords ![sorted by Keywords field, descending order (down)](img/sort_desc.gif) |
Administrative Services; A3 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
Abstract |
Climate change impact, food security concerns, and greenhouse gas emissions are pressuring agricultural production systems in developing countries. There is a need for a shift toward sustainable food systems. One of the concepts introduced to drive this shift is climate-smart agriculture (CSA), endorsed by international organizations to address multifaceted challenges. Despite widespread attention and support, the adoption of CSA among African farmers remains low. This systematic literature review aims to shed light on the factors influencing CSA adoption amongst African farmers. Within the articles identified as relevant, over 50 CSA practices and more than 40 factors influencing CSA adoption were distinguished. These influencing factors can be categorized as personal, farm- related, financial, environmental, and informational. The focus of this review is to identify and explain the overall impact (positive, negative, or mixed) of these factors on CSA adoption. Overall, many factors result in mixed effects, only some factors have an unambiguous positive or negative effect on CSA adoption. For instance, educational level emerges as a key personal factor, positively impacting CSA adoption, along with positive influences from farmers’ experience and farm size among farm-related factors. Financial factors reveal distinct patterns, with income from farming and access to credit positively influencing adoption, while off-farm income exhibits a negative effect. Environmental factors, though less researched, indicate positive impacts related to changes in rainfall patterns, temperature, and droughts. Lastly, informational factors consistently exhibit a positive effect on CSA adoption, with training, access to extension, group memberships, climate information, and CSA awareness playing crucial roles. These findings provide valuable insights for policymakers seeking to enhance CSA adoption in Africa, offering a nuanced understanding of the multifaceted dynamics at play. |
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2024-04-03 |
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Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:205017 |
Serial |
9233 |
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Author |
Finizola e Silva, M.; Van Schoubroeck, S.; Cools, J.; Aboge, D.O.; Ouma, M.; Olweny, C.; Van Passel, S. |
Title |
Local actors' perspectives on sustainable food value chains : evidence from a Q-methodology study in Kenya |
Type |
Administrative Services |
Year |
2024 |
Publication |
Journal of Environmental Studies and Sciences |
Abbreviated Journal |
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Volume |
14 |
Issue |
1 |
Pages |
36-51 |
Keywords ![sorted by Keywords field, descending order (down)](img/sort_desc.gif) |
Administrative Services; A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
Abstract |
Governments and international organizations are increasingly determined to create more sustainable food value chains (SFVCs). However, only little empirical evidence is available on how SFVCs are understood. Enquiring African food value chain actors allows gathering valuable insights into their perception of sustainability, which characteristics of sustainable food value chains they prioritize, and which obstacles to a sustainable transformation they identify. By means of a Q-methodology involving interviews with 33 Kenyan respondents, four perspectives were distinguished. The first perspective, “economic productivity and growth,” prioritizes economic growth and has only limited attention to the social dimension of sustainability. The second perspective, “food security and food availability,” believes that ensuring food security should be the key goal of SFVCs. The third perspective, “environment first,” is dedicated to the environmental dimension of sustainability; the perspective implies that protecting natural resources is the primary way to sustain this level of production. The fourth perspective, “transformative knowledge,” entails that by innovating and sharing knowledge, food value chains can become more sustainable in different areas. Overall, this study provides reliable insights into how Kenyan food value chain actors perceive sustainability in their sector and which elements they believe should be prioritized when rethinking food systems. The study results are valuable for policy-making to further define an SFVC in Kenya and to pave the way for a sustainable transformation of the food sector in developing countries. |
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001063371200001 |
Publication Date |
2023-09-11 |
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ISSN |
2190-6483 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:199200 |
Serial |
9210 |
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Author |
Gielis, J.; Grigolia, R. |
Title |
Lamé curves and Rvachev's R-functions |
Type |
A3 Journal article |
Year |
2022 |
Publication |
Sn – 1512-0066 |
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37 |
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1-4 |
Keywords ![sorted by Keywords field, descending order (down)](img/sort_desc.gif) |
A3 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Gielis transformations are a generalization of Lame curves. To combine domains, we can make use of the natural alliance between Lame's work and Rvachev's R-functions. A logical next step is the extension to n-valued logic dening dierent partitions. |
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Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:189316 |
Serial |
7178 |
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Author |
Tavkhelidze, I.; Gielis, J.; Pinelas, S. |
Title |
About some methods of analytic representation and classification of a wide set of geometric figures with “complex” configuration |
Type |
A3 Journal article |
Year |
2020 |
Publication |
Sn – 1512-0066 |
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34 |
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81-84 |
Keywords ![sorted by Keywords field, descending order (down)](img/sort_desc.gif) |
A3 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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UA @ admin @ c:irua:174475 |
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7406 |
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Author |
Düking, R.; Gielis, J.; Liese, W. |
Title |
Carbon flux and carbon stock in a bamboo stand and their relevance for mitigating climate change |
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A3 Journal article |
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2011 |
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Bamboo Science & Culture |
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24 |
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1 |
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1-6 |
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A3 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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In this report we describe the basics of biological carbon fixation in bamboo forests. Confusing carbon stock with carbon flux has led to false expectations on the significance of bamboo forests as carbon sinks. Furthermore, misunderstandings about the growth of bamboo culms can lead to highly exaggerated expectations on the productivity of bamboo. |
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1535-7635 |
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no |
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UA @ admin @ c:irua:91091 |
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7578 |
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Gielis, J.; Tavkhelidze, I. |
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The Mӧbius phenomenon in Generalized Mӧbius-Listing bodies with cross sections of odd and even polygons |
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A3 Journal article |
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2020 |
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Sn – 1512-0066 |
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34 |
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23-26 |
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A3 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Most recent IF: NA |
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UA @ admin @ c:irua:174474 |
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8257 |
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Tavkhelidze, I.; Gielis, J. |
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The process of cutting GMLmn bodies with dm-knives |
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A3 Journal article |
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2018 |
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Sn – 1512-0066 |
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32 |
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67-70 |
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A3 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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no |
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UA @ admin @ c:irua:159971 |
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8417 |
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Gielis, J.; Tavkhelidze, I.; Ricci, P.E. |
Title |
Generalized Möbius-Listing bodies and the heart |
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A3 Journal article |
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2023 |
Publication |
Sn – 2247-689x |
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Volume |
13 |
Issue |
2 |
Pages |
58-70 |
Keywords ![sorted by Keywords field, descending order (down)](img/sort_desc.gif) |
A3 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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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. The results can be applied in a wide range of fields in the natural science, and here we propose how they can serve as a model for the heart and the circulatory system. |
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http://rjm-cs.ro/2023v13i2_7.pdf#page=1 |
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UA library record; http://rjm-cs.ro/2023v13i2_7.pdf#page=1 |
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Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:200773 |
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9043 |
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Vandelannoote, R.; Blommaert, W.; van Grieken, R.; Gijbels, R. |
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L'analyse des eaux géothermales par spectrométrie de masse à étincelles |
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A3 Journal article |
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1979 |
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Spectra 2000: la revue de l'instrumentation |
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53 |
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66 |
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A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Paris |
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0000-00-00 |
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0399-1172 |
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UA @ lucian @ c:irua:116645 |
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98 |
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Vandelannoote, R.; Blommaert, W.; Gijbels, R.; van Grieken, R. |
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Analysis of geothermal waters by spark source mass spectrometry |
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A3 Journal article |
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1981 |
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Fresenius' Zeitschrift für analytische Chemie |
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309 |
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4 |
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291-294 |
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A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Although the analysis of thermal water by spark-source mass spectrometry (SSMS) is rather timeconsuming, it allows the detection of about 20 elements of geochemical interest down to the ppb-level. A physical preconcentration is proposed in order to collect elements having quite different chemical properties, e.g. alkalis, transition elements, and elements occurring in anionic form. The relative sensitivity factors appear to be rather independent of the salt content of the graphite electrodes. Contrary to neutron activation analysis, SSMS has a quite uniform elemental sensitivity, and allows to determine elements for which neutron activation is not suitable, e.g. Sn and Pb. The precision of SSMS is however by a factor of about 2 worse than that obtained for neutron activation. |
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München |
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2004-11-15 |
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0016-1152;1618-2650; |
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8 |
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UA @ lucian @ c:irua:116638 |
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100 |
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