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Author | van Oeffelen, L.; Van Roy, W.; Idrissi, H.; Charlier, D.; Lagae, L.; Borghs, G. | ||||
Title | Ion current rectification, limiting and overlimiting conductances in nanopores | Type | A1 Journal article | ||
Year | 2015 | Publication | PLoS ONE | Abbreviated Journal | Plos One |
Volume | 10 | Issue | 10 | Pages | e0124171 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Previous reports on Poisson-Nernst-Planck (PNP) simulations of solid-state nanopores have focused on steady state behaviour under simplified boundary conditions. These are Neumann boundary conditions for the voltage at the pore walls, and in some cases also Donnan equilibrium boundary conditions for concentrations and voltages at both entrances of the nanopore. In this paper, we report time-dependent and steady state PNP simulations under less restrictive boundary conditions, including Neumann boundary conditions applied throughout the membrane relatively far away from the nanopore. We simulated ion currents through cylindrical and conical nanopores with several surface charge configurations, studying the spatial and temporal dependence of the currents contributed by each ion species. This revealed that, due to slow co-diffusion of oppositely charged ions, steady state is generally not reached in simulations or in practice. Furthermore, it is shown that ion concentration polarization is responsible for the observed limiting conductances and ion current rectification in nanopores with asymmetric surface charges or shapes. Hence, after more than a decade of collective research attempting to understand the nature of ion current rectification in solid-state nanopores, a relatively intuitive model is retrieved. Moreover, we measured and simulated current-voltage characteristics of rectifying silicon nitride nanopores presenting overlimiting conductances. The similarity between measurement and simulation shows that overlimiting conductances can result from the increased conductance of the electric double-layer at the membrane surface at the depletion side due to voltage-induced polarization charges. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000354916100012 | Publication Date | 2015-05-15 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-6203; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.806 | Times cited | 11 | Open Access | |
Notes | Approved | Most recent IF: 2.806; 2015 IF: 3.234 | |||
Call Number | c:irua:126366 | Serial | 1744 | ||
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Author | Kamaraj, B.; Bogaerts, A. | ||||
Title | Structure and function of p53-DNA complexes with inactivation and rescue mutations : a molecular dynamics simulation study | Type | A1 Journal article | ||
Year | 2015 | Publication | PLoS ONE | Abbreviated Journal | Plos One |
Volume | 10 | Issue | 10 | Pages | e0134638 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The tumor suppressor protein p53 can lose its function upon DNA-contact mutations (R273C and R273H) in the core DNA-binding domain. The activity can be restored by second-site suppressor or rescue mutations (R273CT284R, R273HT284R, and R273HS240R). In this paper, we elucidate the structural and functional consequence of p53 proteins upon DNA-contact mutations and rescue mutations and the underlying mechanisms at the atomic level by means of molecular dynamics simulations. Furthermore, we also apply the docking approach to investigate the binding phenomena between the p53 protein and DNA upon DNA-contact mutations and rescue mutations. This study clearly illustrates that, due to DNA-contact mutants, the p53 structure loses its stability and becomes more rigid than the native protein. This structural loss might affect the p53-DNA interaction and leads to inhibition of the cancer suppression. Rescue mutants (R273CT284R, R273HT284R and R273HS240R) can restore the functional activity of the p53 protein upon DNA-contact mutations and show a good interaction between the p53 protein and a DNA molecule, which may lead to reactivate the cancer suppression function. Understanding the effects of p53 cancer and rescue mutations at the molecular level will be helpful for designing drugs for p53 associated cancer diseases. These drugs should be designed so that they can help to inhibit the abnormal function of the p53 protein and to reactivate the p53 function (cell apoptosis) to treat human cancer. | ||||
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Language | Wos | 000359061400096 | Publication Date | 2015-08-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-6203; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.806 | Times cited | Open Access | ||
Notes | Approved | Most recent IF: 2.806; 2015 IF: 3.234 | |||
Call Number | c:irua:126779 | Serial | 3278 | ||
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Author | Duarte-Neto, P.; Stosic, B.; Stosic, T.; Lessa, R.; Milošević, M.V.; Stanley, H.E. | ||||
Title | Multifractal properties of a closed contour : a peek beyond the shape analysis | Type | A1 Journal article | ||
Year | 2014 | Publication | PLoS ONE | Abbreviated Journal | Plos One |
Volume | 9 | Issue | 12 | Pages | e115262 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract | In recent decades multifractal analysis has been successfully applied to characterize the complex temporal and spatial organization of such diverse natural phenomena as heartbeat dynamics, the dendritic shape of neurons, retinal vessels, rock fractures, and intricately shaped volcanic ash particles. The characterization of multifractal properties of closed contours has remained elusive because applying traditional methods to their quasi-one-dimensional nature yields ambiguous answers. Here we show that multifractal analysis can reveal meaningful and sometimes unexpected information about natural structures with a perimeter well-defined by a closed contour. To this end, we demonstrate how to apply multifractal detrended fluctuation analysis, originally developed for the analysis of time series, to an arbitrary shape of a given study object. In particular, we show the application of the method to fish otoliths, calcareous concretions located in fish's inner ear. Frequently referred to as the fish's “black box”, they contain a wealth of information about the fish's life history and thus have recently attracted increasing attention. As an illustrative example, we show that a multifractal approach can uncover unexpected relationships between otolith contours and size and age of fish at maturity. | ||||
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Language | Wos | 000347239900030 | Publication Date | 2014-12-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
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ISSN | 1932-6203; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.806 | Times cited | 6 | Open Access | |
Notes | ; Funding: This work was supported by CNPq, Brazil (Projects No. 201506/2011-4, No. 303251/2010-7, and No. 306719/2012-6). MVM acknowledges support from Flemish Science Foundation (FWO-Vlaanderen) and CAPES PVE action No. BEX1392/ 11-5. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. ; | Approved | Most recent IF: 2.806; 2014 IF: 3.234 | ||
Call Number | UA @ lucian @ c:irua:123770 | Serial | 2218 | ||
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Author | Smits, M.; Vanpachtenbeke, F.; Horemans, B.; De Wael, K.; Hauchecorne, B.; Van Langenhove, H.; Demeestere, K.; Lenaerts, S. | ||||
Title | Effect of operating and sampling conditions on the exhaust gas composition of small-scale power generators | Type | A1 Journal article | ||
Year | 2012 | Publication | PLoS ONE | Abbreviated Journal | Plos One |
Volume | 7 | Issue | 3 | Pages | e32825-e32825,10 |
Keywords | A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | Small stationary diesel engines, like in generator sets, have limited emission control measures and are therefore responsible for 44% of the particulate matter (PM) emissions in the United States. The diesel exhaust composition depends on operating conditions of the combustion engine. Furthermore, the measurements are influenced by the used sampling method. This study examines the effect of engine loading and exhaust gas dilution on the composition of small-scale power generators. These generators are used in different operating conditions than road-transport vehicles, resulting in different emission characteristics. Experimental data were obtained for gaseous volatile organic compounds (VOC) and PM mass concentration, elemental composition and nitrate content. The exhaust composition depends on load condition because of its effect on fuel consumption, engine wear and combustion temperature. Higher load conditions result in lower PM concentration and sharper edged particles with larger aerodynamic diameters. A positive correlation with load condition was found for K, Ca, Sr, Mn, Cu, Zn and Pb adsorbed on PM, elements that originate from lubricating oil or engine corrosion. The nitrate concentration decreases at higher load conditions, due to enhanced nitrate dissociation to gaseous NO at higher engine temperatures. Dilution on the other hand decreases PM and nitrate concentration and increases gaseous VOC and adsorbed metal content. In conclusion, these data show that operating and sampling conditions have a major effect on the exhaust gas composition of small-scale diesel generators. Therefore, care must be taken when designing new experiments or comparing literature results. | ||||
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Language | Wos | 000303836500012 | Publication Date | 2012-03-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-6203 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.806 | Times cited | 5 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 2.806; 2012 IF: 3.730 | ||
Call Number | UA @ admin @ c:irua:96545 | Serial | 5581 | ||
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Author | Tilleman, L.; De Henau, S.; Pauwels, M.; Nagy, N.; Pintelon, I.; Braeckman, B.P.; De Wael, K.; Van Doorslaer, S.; Adriaensen, D.; Timmermans, J.-P.; Moens, L.; Dewilde, S. | ||||
Title | An N-myristoylated globin with a redox-sensing function that regulates the defecation cycle in Caenorhabditis elegans | Type | A1 Journal article | ||
Year | 2012 | Publication | PLoS ONE | Abbreviated Journal | Plos One |
Volume | 7 | Issue | 12 | Pages | e48768-9 |
Keywords | A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | Globins occur in all kingdoms of life where they fulfill a wide variety of functions. In the past they used to be primarily characterized as oxygen transport/storage proteins, but since the discovery of new members of the globin family like neuroglobin and cytoglobin, more diverse and complex functions have been assigned to this heterogeneous family. Here we propose a function for a membrane-bound globin of C. elegans, GLB-26. This globin was predicted to be myristoylated at its N-terminus, a post-translational modification only recently described in the globin family. In vivo, this globin is found in the membrane of the head mesodermal cell and in the tail stomato-intestinal and anal depressor muscle cells. Since GLB-26 is almost directly oxidized when exposed to oxygen, we postulate a possible function as electron transfer protein. Phenotypical studies show that GLB-26 takes part in regulating the length of the defecation cycle in C. elegans under oxidative stress conditions. | ||||
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Language | Wos | 000313236200008 | Publication Date | 2012-12-12 | |
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ISSN | 1932-6203 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.806 | Times cited | 6 | Open Access | |
Notes | ; SDH is a Ph.D. fellow of the Fund for Scientific Research (FWO). Financial support to SD and LM was provided by the University of Antwerp (BOF UA TOP 2006) and to SD, LM, BPB, by FWO project G.0247.09. The UltraVIEW VoX spinning disk confocal microscope was purchased with support of the Hercules Foundation (Hercules Type 1: AUHA 09/001). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. ; | Approved | Most recent IF: 2.806; 2012 IF: 3.730 | ||
Call Number | UA @ admin @ c:irua:102591 | Serial | 5741 | ||
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Author | Domingos, J.L.C.; Peeters, F.M.; Ferreira, W.P. | ||||
Title | Self-assembly and clustering of magnetic peapod-like rods with tunable directional interaction | Type | A1 Journal article | ||
Year | 2018 | Publication | PLoS ONE | Abbreviated Journal | Plos One |
Volume | 13 | Issue | 4 | Pages | e0195552 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract | Based on extensive Langevin Dynamics simulations we investigate the structural properties of a two-dimensional ensemble of magnetic rods with a peapod-like morphology, i.e, rods consisting of aligned single dipolar beads. Self-assembled configurations are studied for different directions of the dipole with respect to the rod axis. We found that with increasing misalignment of the dipole from the rod axis, the smaller the packing fraction at which the percolation transition is found. For the same density, the system exhibits different aggregation states for different misalignment. We also study the stability of the percolated structures with respect to temperature, which is found to be affected by the microstructure of the assembly of rods. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | Publication Date | |||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-6203 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.806 | Times cited | Open Access | ||
Notes | Approved | Most recent IF: 2.806 | |||
Call Number | UA @ lucian @ c:irua:150778UA @ admin @ c:irua:150778 | Serial | 4977 | ||
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Author | Mannaerts, D.; Faes, E.; Cos, P.; Briedé, J.J.; Gyselaers, W.; Cornette, J.; Gorbanev, Y.; Bogaerts, A.; Spaanderman, M.; Van Craenenbroeck, E.; Jacquemyn, Y.; Torrens, C. | ||||
Title | Oxidative stress in healthy pregnancy and preeclampsia is linked to chronic inflammation, iron status and vascular function | Type | University Hospital Antwerp | ||
Year | 2018 | Publication | PLoS ONE | Abbreviated Journal | Plos One |
Volume | 13 | Issue | 9 | Pages | e0202919 |
Keywords | University Hospital Antwerp; A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Translational Pathophysiological Research (TPR) | ||||
Abstract | Background During normal pregnancy, placental oxidative stress (OS) is present during all three trimesters and is necessary to obtain normal cell function. However, if OS reaches a certain level, pregnancy complications might arise. In preeclampsia (PE), a dangerous pregnancy specific hypertensive disorder, OS induced in the ischemic placenta causes a systemic inflammatory response and activates maternal endothelial cells. In this study, we aimed to quantify superoxide concentrations (as a measure of systemic OS) using electron paramagnetic resonance (EPR) and correlate them to markers of systemic inflammation, iron status and vascular function. Methods Fifty-nine women with a healthy pregnancy (HP), 10 non-pregnant controls (NP) and 28 PE patients (32±3.3weeks) were included. During HP, blood samples for superoxide, neutrophil to lymphocyte ratio (NLR), mean platelet volume (MPV) and iron status were taken at 10, 25 and 39 weeks. Vascular measurements for arterial stiffness (carotid-femoral pulse wave velocity (CF-PWV), augmentation index (AIx), augmentation Pressure (AP)) and microvascular endothelial function (reactive hyperemia index (RHI)) were performed at 35 weeks. In PE, all measurements were performed at diagnosis. CMH (1-hydroxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine) was used as spin probe for EPR, since the formed CM radical corresponds to the amount of superoxide. Results Superoxide concentration remains stable during pregnancy (p = 0.92), but is significantly higher compared to the NP controls (p<0.0001). At 25 weeks, there is a significant positive correlation between superoxide and ferritin concentration. (p = 0.04) In PE, superoxide, systemic inflammation and iron status are much higher compared to HP (all p<0.001). During HP, superoxide concentrations correlate significantly with arterial stiffness (all p<0.04), while in PE superoxide is significantly correlated to microvascular endothelial function (p = 0.03). Conclusions During HP there is an increased but stable oxidative environment, which is correlated to ferritin concentration. If superoxide levels increase, there is an augmentation in arterial stiffness. In PE pregnancies, systemic inflammation and superoxide concentrations are higher and result in a deterioration of endothelial function. Together, these findings support the hypothesis that vascular function is directly linked to the amount of OS and that measurement of OS in combination with vascular function tests might be used in the prediction of PE. |
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Language | Wos | 000444355500010 | Publication Date | 2018-09-11 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-6203 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.806 | Times cited | 15 | Open Access | OpenAccess |
Notes | This study is part of a PhD-thesis which is supported by the University of Antwerp and the Department Obstetrics and Gynaecology of the Antwerp University Hospital. The University of Antwerp provides the earnings for the principal investigator (DM) who is responsible for the design of the study, data collection and interpretation and writing of the manuscript. The Antwerp University Hospital supports the financial part of data collection. EMVC is supported by the fund for scientific research-Flanders (FWO) as senior clinical investigator. | Approved | Most recent IF: 2.806 | ||
Call Number | PLASMANT @ plasmant @c:irua:153802c:irua:153644 | Serial | 5048 | ||
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Author | Ning, S.; Xu, W.; Ma, Y.; Loh, L.; Pennycook, T.J.; Zhou, W.; Zhang, F.; Bosman, M.; Pennycook, S.J.; He, Q.; Loh, N.D. | ||||
Title | Accurate and Robust Calibration of the Uniform Affine Transformation Between Scan-Camera Coordinates for Atom-Resolved In-Focus 4D-STEM Datasets | Type | A1 Journal article | ||
Year | 2022 | Publication | Microscopy and microanalysis | Abbreviated Journal | Microsc Microanal |
Volume | Issue | Pages | 1-11 | ||
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Accurate geometrical calibration between the scan coordinates and the camera coordinates is critical in four-dimensional scanning transmission electron microscopy (4D-STEM) for both quantitative imaging and ptychographic reconstructions. For atomic-resolved, in-focus 4D-STEM datasets, we propose a hybrid method incorporating two sub-routines, namely a J-matrix method and a Fourier method, which can calibrate the uniform affine transformation between the scan-camera coordinates using raw data, without a priori knowledge about the crystal structure of the specimen. The hybrid method is found robust against scan distortions and residual probe aberrations. It is also effective even when defects are present in the specimen, or the specimen becomes relatively thick. We will demonstrate that a successful geometrical calibration with the hybrid method will lead to a more reliable recovery of both the specimen and the electron probe in a ptychographic reconstruction. We will also show that, although the elimination of local scan position errors still requires an iterative approach, the rate of convergence can be improved, and the residual errors can be further reduced if the hybrid method can be firstly applied for initial calibration. The code is made available as a simple-to-use tool to correct affine transformations of the scan-camera coordinates in 4D-STEM experiments. | ||||
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Language | Wos | 000767045700001 | Publication Date | 2022-03-09 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 1431-9276 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.8 | Times cited | Open Access | OpenAccess | |
Notes | N. D. Loh kindly acknowledges support from NUS Early Career Research Award (R-154-000-B35-133), MOE’s AcRF Tier 1 grant nr. R-284-000-172-114 and NRF CRP grant number NRF-CRP16-2015-05. Q. He would also like to acknowledge the support of the National Research Foundation (NRF) Singapore, under its NRF Fellowship (NRF-NRFF11-2019-0002). W. Zhou acknowledges the support from Beijing Outstanding Young Scientist Program (BJJWZYJH01201914430039). F. Zhang acknowledges the support of the National Natural Science Foundation of China (11775105, 12074167). T. J. Pennycook acknowledges funding under the European Union’s Horizon 2020 research and innovation programme from the European Research Council (ERC) Grant agreement No. 802123-HDEM. | Approved | Most recent IF: 2.8 | ||
Call Number | EMAT @ emat @c:irua:186958 | Serial | 6957 | ||
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Author | Yu, C.-P.; Friedrich, T.; Jannis, D.; Van Aert, S.; Verbeeck, J. | ||||
Title | Real-Time Integration Center of Mass (riCOM) Reconstruction for 4D STEM | Type | A1 Journal article | ||
Year | 2022 | Publication | Microscopy and microanalysis | Abbreviated Journal | Microsc Microanal |
Volume | Issue | Pages | 1-12 | ||
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | A real-time image reconstruction method for scanning transmission electron microscopy (STEM) is proposed. With an algorithm requiring only the center of mass of the diffraction pattern at one probe position at a time, it is able to update the resulting image each time a new probe position is visited without storing any intermediate diffraction patterns. The results show clear features at high spatial frequency, such as atomic column positions. It is also demonstrated that some common post-processing methods, such as band-pass filtering, can be directly integrated in the real-time processing flow. Compared with other reconstruction methods, the proposed method produces high-quality reconstructions with good noise robustness at extremely low memory and computational requirements. An efficient, interactive open source implementation of the concept is further presented, which is compatible with frame-based, as well as event-based camera/file types. This method provides the attractive feature of immediate feedback that microscope operators have become used to, for example, conventional high-angle annular dark field STEM imaging, allowing for rapid decision-making and fine-tuning to obtain the best possible images for beam-sensitive samples at the lowest possible dose. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000792176100001 | Publication Date | 2022-04-25 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 1431-9276 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.8 | Times cited | 7 | Open Access | OpenAccess |
Notes | Bijzonder Onderzoeksfonds UGent; H2020 European Research Council, 770887 ; H2020 European Research Council, 823717 ; H2020 European Research Council, ESTEEM3 / 823717 ; H2020 European Research Council, PICOMETRICS / 770887 ; Fonds Wetenschappelijk Onderzoek, 30489208 ; Herculesstichting; esteem3reported; esteem3jra | Approved | Most recent IF: 2.8 | ||
Call Number | EMAT @ emat @c:irua:188538 | Serial | 7068 | ||
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Author | De wael, A.; De Backer, A.; Yu, C.-P.; Sentürk, D.G.; Lobato, I.; Faes, C.; Van Aert, S. | ||||
Title | Three Approaches for Representing the Statistical Uncertainty on Atom-Counting Results in Quantitative ADF STEM | Type | A1 Journal article | ||
Year | 2022 | Publication | Microscopy and microanalysis | Abbreviated Journal | Microsc Microanal |
Volume | Issue | Pages | 1-9 | ||
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | A decade ago, a statistics-based method was introduced to count the number of atoms from annular dark-field scanning transmission electron microscopy (ADF STEM) images. In the past years, this method was successfully applied to nanocrystals of arbitrary shape, size, and composition (and its high accuracy and precision has been demonstrated). However, the counting results obtained from this statistical framework are so far presented without a visualization of the actual uncertainty about this estimate. In this paper, we present three approaches that can be used to represent counting results together with their statistical error, and discuss which approach is most suited for further use based on simulations and an experimental ADF STEM image. | ||||
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Language | Wos | 000854930500001 | Publication Date | 2022-09-19 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 1431-9276 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 2.8 | Times cited | Open Access | OpenAccess | |
Notes | This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (Grant Agreement No. 770887 and No. 823717 ESTEEM3). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through grants to A.D.w. and A.D.B. and projects G.0502.18N, G.0267.18N, and EOS 30489208. S.V.A. acknowledges TOP BOF funding from the University of Antwerp. The authors are grateful to L.M. Liz-Marzán (CIC biomaGUNE and Ikerbasque) for providing the samples. esteem3reported; esteem3jra | Approved | Most recent IF: 2.8 | ||
Call Number | EMAT @ emat @c:irua:190585 | Serial | 7119 | ||
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Author | Vega Ibañez, F.; Béché, A.; Verbeeck, J. | ||||
Title | Can a programmable phase plate serve as an aberration corrector in the transmission electron microscope (TEM)? | Type | A1 Journal article | ||
Year | 2022 | Publication | Microscopy and microanalysis | Abbreviated Journal | Microsc Microanal |
Volume | Issue | Pages | Pii S1431927622012260-10 | ||
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Current progress in programmable electrostatic phase plates raises questions about their usefulness for specific applications. Here, we explore different designs for such phase plates with the specific goal of correcting spherical aberration in the transmission electron microscope (TEM). We numerically investigate whether a phase plate could provide down to 1 angstrom ngstrom spatial resolution on a conventional uncorrected TEM. Different design aspects (fill factor, pixel pattern, symmetry) were evaluated to understand their effect on the electron probe size and current density. Some proposed designs show a probe size () down to 0.66 angstrom, proving that it should be possible to correct spherical aberration well past the 1 angstrom limit using a programmable phase plate consisting of an array of electrostatic phase-shifting elements. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000849975400001 | Publication Date | 2022-09-21 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 1431-9276 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.8 | Times cited | 3 | Open Access | OpenAccess |
Notes | All authors acknowledge funding from the Flemish Research Fund under contract G042820N “Exploring adaptive optics in transmission electron microscopy”. J.V. acknowledges funding from the European Union’s Horizon 2020 Research Infrastructure – Integrating Activities for Advanced Communities under grant agreement No 823717 – ESTEEM3 and from the University of Antwerp through a TOP BOF project.; esteem3reported; esteem3jra | Approved | Most recent IF: 2.8 | ||
Call Number | UA @ admin @ c:irua:190627 | Serial | 7134 | ||
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Author | Chen, Q.; Skorikov, A.; van der Hoeven, J.E.S.; van Blaaderen, A.; Albrecht, W.; Perez-Garza, H.H.; Bals, S. | ||||
Title | Estimation of temperature homogeneity in MEMS-based heating nanochips via quantitative HAADF-STEM tomography | Type | A1 Journal article | ||
Year | 2023 | Publication | Particle and particle systems characterization | Abbreviated Journal | |
Volume | 41 | Issue | 2 | Pages | 1-8 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Sample holders for transmission electron microscopy (TEM) based on micro-electro-mechanical systems (MEMS) have recently become popular for investigating the behavior of nanomaterials under in situ or environmental conditions. The accuracy and reproducibility of these in situ holders are essential to ensure the reliability of experimental results. In addition, the uniformity of an applied temperature trigger across the MEMS chip is a crucial parameter. In this work, it is measured the temperature homogeneity of MEMS-based heating sample supports by locally analyzing the dynamics of heat-induced alloying of Au@Ag nanoparticles located in different regions of the support through quantitative fast high-angle annular dark-field scanning TEM tomography. These results demonstrate the superior temperature homogeneity of a microheater design based on a heating element shaped as a circular spiral with a width decreasing outwards compared to a double spiral-shaped designed microheater. The proposed approach to measure the local temperature homogeneity based on the thermal properties of bimetallic nanoparticles will support the future development of MEMS-based heating supports with improved thermal properties and in situ studies where high precision in the temperature at a certain position is required. This schematic delineates an approach to quantifying potential localized temperature deviation within a nanochip. Employing two comparable nanoparticles as thermal probes in discrete nanochip regions, the alloying kinetics of these nanoparticles are monitorable using in situ quantitative high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) tomography, thus enabling the precise estimation of local temperature deviations.image | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 001060394600001 | Publication Date | 2023-09-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0934-0866 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 2.7 | Times cited | Open Access | Not_Open_Access | |
Notes | This project was funded from the European Commission and The Marie Sklodowska-Curie Innovative Training Network MUMMERING (Grant Agreement no. 765604) | Approved | Most recent IF: 2.7; 2023 IF: 4.474 | ||
Call Number | UA @ admin @ c:irua:199219 | Serial | 8863 | ||
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Author | Duden, E.I.; Savaci, U.; Turan, S.; Sevik, C.; Demiroglu, I. | ||||
Title | Intercalation of argon in honeycomb structures towards promising strategy for rechargeable Li-ion batteries | Type | A1 Journal article | ||
Year | 2023 | Publication | Journal of physics : condensed matter | Abbreviated Journal | |
Volume | 35 | Issue | 8 | Pages | 085301-85311 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | High-performance rechargeable batteries are becoming very important for high-end technologies with their ever increasing application areas. Hence, improving the performance of such batteries has become the main bottleneck to transferring high-end technologies to end users. In this study, we propose an argon intercalation strategy to enhance battery performance via engineering the interlayer spacing of honeycomb structures such as graphite, a common electrode material in lithium-ion batteries (LIBs). Herein, we systematically investigated the LIB performance of graphite and hexagonal boron nitride (h-BN) when argon atoms were sent into between their layers by using first-principles density-functional-theory calculations. Our results showed enhanced lithium binding for graphite and h-BN structures when argon atoms were intercalated. The increased interlayer space doubles the gravimetric lithium capacity for graphite, while the volumetric capacity also increased by around 20% even though the volume was also increased. The ab initio molecular dynamics simulations indicate the thermal stability of such graphite structures against any structural transformation and Li release. The nudged-elastic-band calculations showed that the migration energy barriers were drastically lowered, which promises fast charging capability for batteries containing graphite electrodes. Although a similar level of battery promise was not achieved for h-BN material, its enhanced battery capabilities by argon intercalation also support that the argon intercalation strategy can be a viable route to enhance such honeycomb battery electrodes. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000899825400001 | Publication Date | 2022-12-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0953-8984 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 2.7 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 2.7; 2023 IF: 2.649 | |||
Call Number | UA @ admin @ c:irua:193399 | Serial | 7313 | ||
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Author | Souza, J.C.B.; Vizarim, N.P.; Reichhardt, C.J.O.; Reichhardt, C.; Venegas, P.A. | ||||
Title | Magnus induced diode effect for skyrmions in channels with periodic potentials | Type | A1 Journal article | ||
Year | 2023 | Publication | Journal of physics : condensed matter | Abbreviated Journal | |
Volume | 35 | Issue | 1 | Pages | 015804-15810 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Using a particle based model, we investigate the skyrmion dynamical behavior in a channel where the upper wall contains divots of one depth and the lower wall contains divots of a different depth. Under an applied driving force, skyrmions in the channels move with a finite skyrmion Hall angle that deflects them toward the upper wall for -x direction driving and the lower wall for +x direction driving. When the upper divots have zero height, the skyrmions are deflected against the flat upper wall for -x direction driving and the skyrmion velocity depends linearly on the drive. For +x direction driving, the skyrmions are pushed against the lower divots and become trapped, giving reduced velocities and a nonlinear velocity-force response. When there are shallow divots on the upper wall and deep divots on the lower wall, skyrmions get trapped for both driving directions; however, due to the divot depth difference, skyrmions move more easily under -x direction driving, and become strongly trapped for +x direction driving. The preferred -x direction motion produces what we call a Magnus diode effect since it vanishes in the limit of zero Magnus force, unlike the diode effects observed for asymmetric sawtooth potentials. We show that the transport curves can exhibit a series of jumps or dips, negative differential conductivity, and reentrant pinning due to collective trapping events. We also discuss how our results relate to recent continuum modeling on a similar skyrmion diode system. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000880827900001 | Publication Date | 2022-10-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0953-8984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.7 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 2.7; 2023 IF: 2.649 | |||
Call Number | UA @ admin @ c:irua:192031 | Serial | 7320 | ||
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Author | Bekaert, J.; Bringmans, L.; Milošević, M.V. | ||||
Title | Ginzburg-Landau surface energy of multiband superconductors : derivation and application to selected systems | Type | A1 Journal article | ||
Year | 2023 | Publication | Journal of physics : condensed matter | Abbreviated Journal | |
Volume | 35 | Issue | 32 | Pages | 325602-325610 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | We determine the energy of an interface between a multiband superconducting and a normal half-space, in presence of an applied magnetic field, based on a multiband Ginzburg-Landau (GL) approach. We obtain that the multiband surface energy is fully determined by the critical temperature, electronic densities of states, and superconducting gap functions associated with the different band condensates. This furthermore yields an expression for the thermodynamic critical magnetic field, in presence of an arbitrary number of contributing bands. Subsequently, we investigate the sign of the surface energy as a function of material parameters, through numerical solution of the GL equations. Here, we consider two distinct cases: (i) standard multiband superconductors with attractive interactions, and (ii) a three-band superconductor with a chiral ground state with phase frustration, arising from repulsive interband interactions. Furthermore, we apply this approach to several prime examples of multiband superconductors, such as metallic hydrogen and MgB2, based on microscopic parameters obtained from first-principles calculations. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000986281900001 | Publication Date | 2023-05-03 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0953-8984 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 2.7 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 2.7; 2023 IF: 2.649 | |||
Call Number | UA @ admin @ c:irua:196664 | Serial | 8875 | ||
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Author | Wang, S.; Tian, H.; Sun, M. | ||||
Title | Valley-polarized and enhanced transmission in graphene with a smooth strain profile | Type | A1 Journal article | ||
Year | 2023 | Publication | Journal of physics : condensed matter | Abbreviated Journal | |
Volume | 35 | Issue | 30 | Pages | 304002-304013 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | We explore the influence of strain on the valley-polarized transmission of graphene by employing the wave-function matching and the non-equilibrium Green's function technique. When the transmission is along the armchair direction, we show that the valley polarization and transmission can be improved by increasing the width of the strained region and increasing (decreasing) the extensional strain in the armchair (zigzag) direction. It is noted that the shear strain does not affect transmission and valley polarization. Furthermore, when we consider the smooth strain barrier, the valley-polarized transmission can be enhanced by increasing the smoothness of the strain barrier. We hope that our finding can shed new light on constructing graphene-based valleytronic and quantum computing devices by solely employing strain. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000977124700001 | Publication Date | 2023-04-11 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0953-8984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.7 | Times cited | Open Access | Not_Open_Access | |
Notes | Approved | Most recent IF: 2.7; 2023 IF: 2.649 | |||
Call Number | UA @ admin @ c:irua:196718 | Serial | 8953 | ||
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Author | Souza, J.C.B.; Vizarim, N.P.; Reichhardt, C.J.O.; Reichhardt, C.; Venegas, P.A. | ||||
Title | Soliton motion induced along ferromagnetic skyrmion chains in chiral thin nanotracks | Type | A1 Journal article | ||
Year | 2023 | Publication | Journal of magnetism and magnetic materials | Abbreviated Journal | |
Volume | 587 | Issue | Pages | 171280-171289 | |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Using atomistic magnetic simulations we investigate the soliton motion along a pinned skyrmion chain containing an interstitial skyrmion. We find that the soliton can exhibit stable motion along the chain without a skyrmion Hall effect for an extended range of drives. Under a constant drive the solitons have a constant velocity. We also measure the skyrmion velocity-current curves and identify the signatures of different phases including a pinned phase, stable soliton motion, and quasi-free motion at higher drives where all of the skyrmions depin from the pinning centers and move along the rigid wall. In the quasi-free motion regime, the velocity is oscillatory due to the motion of the skyrmions over the pinning sites. For increasing pinning strength, the onset of soliton motion shifts to higher values of current density. We also find that for stronger pinning, the characteristic velocity-current shape is affected by the annihilation of single or multiple skyrmions in the drive interval over which the soliton motion occurs. Our results indicate that stable skyrmion soliton motion is possible and that the solitons could be used as information carriers instead of the skyrmions themselves for technological applications. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 001086712600001 | Publication Date | 2023-09-21 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0304-8853 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 2.7 | Times cited | Open Access | ||
Notes | Approved | Most recent IF: 2.7; 2023 IF: 2.63 | |||
Call Number | UA @ admin @ c:irua:201139 | Serial | 9095 | ||
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Author | Hillen, M.; Sels, S.; Ribbens, B.; Verspeek, S.; Janssens, K.; Van der Snickt, G.; Steenackers, G. | ||||
Title | Qualitative Comparison of Lock-in Thermography (LIT) and Pulse Phase Thermography (PPT) in Mid-Wave and Long-Wave Infrared for the Inspection of Paintings | Type | A1 Journal article | ||
Year | 2023 | Publication | Applied Sciences | Abbreviated Journal | Appl Sci-Basel |
Volume | 13 | Issue | 7 | Pages | 1-13 |
Keywords | A1 Journal article; Engineering sciences. Technology; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS) | ||||
Abstract | When studying paintings with active infrared thermography (IRT), minimizing the temperature fluctuations and thermal shock during a measurement becomes important. Under these conditions, it might be beneficial to use lock-in thermography instead of the conventionally used pulse thermography (PT). This study compared the observations made with lock-in thermography (LIT) and pulse phase thermography (PPT) with halogen light excitation. Three distinctly different paintings were examined. The LIT measurements caused smaller temperature fluctuations and, overall, the phase images appeared to have a higher contrast and less noise. However, in the PPT phase images, the upper paint layer was less visible, an aspect which is of particular interest when trying to observe subsurface defects or the structure of the support. The influence of the spectral range of the cameras on the results was also investigated. All measurements were taken with a mid-wave infrared (MWIR) and long wave infrared (LWIR) camera. The results show that there is a significant number of direct reflection artifacts, caused by the use of the halogen light sources when using the MWIR camera. Adding a long-pass filter to the MWIR camera eliminated most of these artifacts. All results are presented in a side-by-side comparison. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000972133900001 | Publication Date | 2023-03-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2076-3417 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.7 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 2.7; 2023 IF: 1.679 | |||
Call Number | UA @ admin @ c:irua:194898 | Serial | 7333 | ||
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Author | Adhami Sayad Mahaleh, M.; Narimisa, M.; Nikiforov, A.; Gromov, M.; Gorbanev, Y.; Bitar, R.; Morent, R.; De Geyter, N. | ||||
Title | Nitrogen Oxidation in a Multi-Pin Plasma System in the Presence and Absence of a Plasma/Liquid Interface | Type | A1 Journal Article | ||
Year | 2023 | Publication | Applied Sciences | Abbreviated Journal | Applied Sciences |
Volume | 13 | Issue | 13 | Pages | 7619 |
Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract | The recent energy crisis revealed that there is a strong need to replace hydrocarbon-fueled industrial nitrogen fixation processes by alternative, more sustainable methods. In light of this, plasma-based nitrogen fixation remains one of the most promising options, considering both theoretical and experimental aspects. Lately, plasma interacting with water has received considerable attention in nitrogen fixation applications as it can trigger a unique gas- and liquid-phase chemistry. Within this context, a critical exploration of plasma-assisted nitrogen fixation with or without water presence is of great interest with an emphasis on energy costs, particularly in plasma reactors which have potential for large-scale industrial application. In this work, the presence of water in a multi-pin plasma system on nitrogen oxidation is experimentally investigated by comparing two pulsed negative DC voltage plasmas in metal–metal and metal–liquid electrode configurations. The plasma setups are designed to create similar plasma properties, including plasma power and discharge regime in both configurations. The system energy cost is calculated, considering nitrogen-containing species generated in gas and liquid phases as measured by a gas analyzer, nitrate sensor, and a colorimetry method. The energy cost profile as a function of specific energy input showed a strong dependency on the plasma operational frequency and the gas flow rate, as a result of different plasma operation regimes and initiated reverse processes. More importantly, the presence of the plasma/liquid interface increased the energy cost up to 14 ± 8%. Overall, the results showed that the presence of water in the reaction zone has a negative impact on the nitrogen fixation process. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 001031217300001 | Publication Date | 2023-06-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2076-3417 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.7 | Times cited | Open Access | Not_Open_Access | |
Notes | NITROPLASM FWO-FNRS Excellence of Science, 30505023 ; European Union-NextGenerationEU, G0G2322N ; | Approved | Most recent IF: 2.7; 2023 IF: 1.679 | ||
Call Number | PLASMANT @ plasmant @c:irua:198153 | Serial | 8802 | ||
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Author | Shi, P.; Wang, L.; Quinn, B.K.K.; Gielis, J. | ||||
Title | A new program to estimate the parameters of Preston's equation, a general formula for describing the egg shape of birds | Type | A1 Journal article | ||
Year | 2023 | Publication | Symmetry | Abbreviated Journal | Symmetry-Basel |
Volume | 15 | Issue | 1 | Pages | 231-10 |
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | Preston's equation is a general model describing the egg shape of birds. The parameters of Preston's equation are usually estimated after re-expressing it as the Todd-Smart equation and scaling the egg's actual length to two. This method assumes that the straight line through the two points on an egg's profile separated by the maximum distance (i.e., the longest axis of an egg's profile) is the mid-line. It hypothesizes that the photographed egg's profile is perfectly bilaterally symmetrical, which seldom holds true because of photographic errors and placement errors. The existing parameter estimation method for Preston's equation considers an angle of deviation for the longest axis of an egg's profile from the mid-line, which decreases prediction errors to a certain degree. Nevertheless, this method cannot provide an accurate estimate of the coordinates of the egg's center, and it leads to sub-optimal parameter estimation. Thus, it is better to account for the possible asymmetry between the two sides of an egg's profile along its mid-line when fitting egg-shape data. In this paper, we propose a method based on the optimization algorithm (optimPE) to fit egg-shape data and better estimate the parameters of Preston's equation by automatically searching for the optimal mid-line of an egg's profile and testing its validity using profiles of 59 bird eggs spanning a wide range of existing egg shapes. We further compared this method with the existing one based on multiple linear regression (lmPE). This study demonstrated the ability of the optimPE method to estimate numerical values of the parameters of Preston's equation and provide the theoretical egg length (i.e., the distance between two ends of the mid-line of an egg's profile) and the egg's maximum breadth. This provides a valuable approach for comparing egg shapes among conspecifics or across different species, or even different classes (e.g., birds and reptiles), in future investigations. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000927531000001 | Publication Date | 2023-01-13 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2073-8994 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.7 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 2.7; 2023 IF: 1.457 | |||
Call Number | UA @ admin @ c:irua:195347 | Serial | 7279 | ||
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Author | Vanrompay, H.; Buurlage, J.‐W.; Pelt, D.M.; Kumar, V.; Zhuo, X.; Liz‐Marzán, L.M.; Bals, S.; Batenburg, K.J. | ||||
Title | Real‐Time Reconstruction of Arbitrary Slices for Quantitative and In Situ 3D Characterization of Nanoparticles | Type | A1 Journal article | ||
Year | 2020 | Publication | Particle & Particle Systems Characterization | Abbreviated Journal | Part Part Syst Char |
Volume | 37 | Issue | 37 | Pages | 2000073 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | A detailed 3D investigation of nanoparticles at a local scale is of great importance to connect their structure and composition to their properties. Electron tomography has therefore become an important tool for the 3D characterization of nanomaterials. 3D investigations typically comprise multiple steps, including acquisition, reconstruction, and analysis/quantification. Usually, the latter two steps are performed offline, at a dedicated workstation. This sequential workflow prevents on-the-fly control of experimental parameters to improve the quality of the 3D reconstruction, to select a relevant nanoparticle for further characterization or to steer an in-situ tomography experiment. Here, we present an efficient approach to overcome these limitations, based on the real-time reconstruction of arbitrary 2D reconstructed slices through a 3D object. Implementation of this method may lead to generalized implementation of electron tomography for routine nanoparticle characterization in 3D. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000536357100001 | Publication Date | 2020-05-29 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0934-0866 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.7 | Times cited | 10 | Open Access | OpenAccess |
Notes | Fonds Wetenschappelijk Onderzoek, 1S32617N ; Fonds Wetenschappelijk Onderzoek, G026718N ; Nederlandse Organisatie voor Wetenschappelijk Onderzoek, 639.073.506 016.Veni.192.235 ; H.V. acknowledges financial support by the Research Foundation Flanders (FWO grant 1S32617N). S.B acknowledges financial support by the Research Foundation Flanders (FWO grant G026718N). Financial support was provided by The Netherlands Organization for Scientific Research (NWO), project numbers 639.073.506 and 016.Veni.192.235. This project received funding as well from the European Union’s Horizon 2020 research and innovation program under grant agreement No 731019 (EUSMI) and No 815128 (REALNANO). H.V. and J.-W.B contributed equally to this work.; sygma | Approved | Most recent IF: 2.7; 2020 IF: 4.474 | ||
Call Number | EMAT @ emat @c:irua:169704 | Serial | 6371 | ||
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Author | Gonzalez-Garcia, A.; Lopez-Perez, W.; Gonzalez-Hernandez, R.; Rivera-Julio, J.; Espejo, C.; Milošević, M.V.; Peeters, F.M. | ||||
Title | Two-dimensional hydrogenated buckled gallium arsenide: an ab initio study | Type | A1 Journal article | ||
Year | 2020 | Publication | Journal Of Physics-Condensed Matter | Abbreviated Journal | J Phys-Condens Mat |
Volume | 32 | Issue | 14 | Pages | 145502 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | First-principles calculations have been carried out to investigate the stability, structural and electronic properties of two-dimensional (2D) hydrogenated GaAs with three possible geometries: chair, zigzag-line and boat configurations. The effect of van der Waals interactions on 2D H-GaAs systems has also been studied. These configurations were found to be energetic and dynamic stable, as well as having a semiconducting character. Although 2D GaAs adsorbed with H tends to form a zigzag-line configuration, the energy differences between chair, zigzag-line and boat are very small which implies the metastability of the system. Chair and boat configurations display a – direct bandgap nature, while pristine 2D-GaAs and zigzag-line are indirect semiconductors. The bandgap sizes of all configurations are also hydrogen dependent, and wider than that of pristine 2D-GaAs with both PBE and HSE functionals. Even though DFT-vdW interactions increase the adsorption energies and reduce the equilibrium distances of H-GaAs systems, it presents, qualitatively, the same physical results on the stability and electronic properties of our studied systems with PBE functional. According to our results, 2D buckled gallium arsenide is a good candidate to be synthesized by hydrogen surface passivation as its group III-V partners 2D buckled gallium nitride and boron nitride. The hydrogenation of 2D-GaAs tunes the bandgap of pristine 2D-GaAs, which makes it a potential candidate for optoelectronic applications in the blue and violet ranges of the visible electromagnetic spectrum. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000507894400001 | Publication Date | 2019-12-11 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0953-8984 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 2.7 | Times cited | 2 | Open Access | |
Notes | ; This work has been carried out by the financial support of Universidad del Norte and Colciencias (Administrative Department of Science, Technology and Research of Colombia) under Convocatoria 712-Convocatoria para proyectos de investigacion en Ciencias Basicas, ano 2015, Cod: 121571250192, Contrato 110-216. The authors gratefully acknowledge the support from the High Performance Computing core facility CalcUA and the TOPBOF project at the University of Antwerp, Belgium; and the computing time granted on the supercomputer Mogon at Johannes Gutenberg University Mainz (hpc.uni-mainz.de). ; | Approved | Most recent IF: 2.7; 2020 IF: 2.649 | ||
Call Number | UA @ admin @ c:irua:165644 | Serial | 6330 | ||
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Author | Lebedev, N.; Stehno, M.; Rana, A.; Gauquelin, N.; Verbeeck, J.; Brinkman, A.; Aarts, J. | ||||
Title | Inhomogeneous superconductivity and quasilinear magnetoresistance at amorphous LaTiO₃/SrTiO₃ interfaces | Type | A1 Journal article | ||
Year | 2020 | Publication | Journal Of Physics-Condensed Matter | Abbreviated Journal | J Phys-Condens Mat |
Volume | 33 | Issue | 5 | Pages | 055001 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | We have studied the transport properties of LaTiO3/SrTiO3 (LTO/STO) heterostructures. In spite of 2D growth observed in reflection high energy electron diffraction, transmission electron microscopy images revealed that the samples tend to amorphize. Still, we observe that the structures are conducting, and some of them exhibit high conductance and/or superconductivity. We established that conductivity arises mainly on the STO side of the interface, and shows all the signs of the two-dimensional electron gas usually observed at interfaces between STO and LTO or LaAlO3, including the presence of two electron bands and tunability with a gate voltage. Analysis of magnetoresistance (MR) and superconductivity indicates the presence of spatial fluctuations of the electronic properties in our samples. That can explain the observed quasilinear out-of-plane MR, as well as various features of the in-plane MR and the observed superconductivity. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000588209300001 | Publication Date | 2020-10-14 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0953-8984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.7 | Times cited | 1 | Open Access | OpenAccess |
Notes | ; NL and JA gratefully acknowledge the financial support of the research program DESCO, which is financed by the Netherlands Organisation for Scientific Research (NWO). The authors thank J Jobst, S Smink, K Lahabi and G Koster for useful discussion. ; | Approved | Most recent IF: 2.7; 2020 IF: 2.649 | ||
Call Number | UA @ admin @ c:irua:173679 | Serial | 6545 | ||
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Author | Lavor, I.R.; da Costa, D.R.; Chaves, A.; Farias, G.A.; Macedo, R.; Peeters, F.M. | ||||
Title | Magnetic field induced vortices in graphene quantum dots | Type | A1 Journal article | ||
Year | 2020 | Publication | Journal Of Physics-Condensed Matter | Abbreviated Journal | J Phys-Condens Mat |
Volume | 32 | Issue | 15 | Pages | 155501 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | The energy spectrum and local current patterns in graphene quantum dots (QD) are investigated for different geometries in the presence of an external perpendicular magnetic field. Our results demonstrate that, for specific geometries and edge configurations, the QD exhibits vortex and anti-vortex patterns in the local current density, in close analogy to the vortex patterns observed in the probability density current of semiconductor QD, as well as in the order parameter of mesoscopic superconductors. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000520149200001 | Publication Date | 2019-12-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0953-8984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.7 | Times cited | 5 | Open Access | |
Notes | ; This work was financially supported by the CAPES foundation and CNPq (Science Without Borders, PQ and FUNCAP/PRONEX programs). ; | Approved | Most recent IF: 2.7; 2020 IF: 2.649 | ||
Call Number | UA @ admin @ c:irua:167670 | Serial | 6558 | ||
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Author | Bafekry, A.; Akgenc, B.; Ghergherehchi, M.; Peeters, F.M. | ||||
Title | Strain and electric field tuning of semi-metallic character WCrCO₂ MXenes with dual narrow band gap | Type | A1 Journal article | ||
Year | 2020 | Publication | Journal Of Physics-Condensed Matter | Abbreviated Journal | J Phys-Condens Mat |
Volume | 32 | Issue | 35 | Pages | 355504-355508 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Motivated by the recent successful synthesis of double-M carbides, we investigate structural and electronic properties of WCrC and WCrCO2 monolayers and the effects of biaxial and out-of-plane strain and electric field using density functional theory. WCrC and WCrCO2 monolayers are found to be dynamically stable. WCrC is metallic and WCrCO2 display semi-metallic character with narrow band gap, which can be controlled by strain engineering and electric field. WCrCO2 monolayer exhibits a dual band gap which is preserved in the presence of an electric field. The band gap of WCrCO2 monolayer increases under uniaxial strain while it becomes metallic under tensile strain, resulting in an exotic 2D double semi-metallic behavior. Our results demonstrate that WCrCO2 is a new platform for the study of novel physical properties in two-dimensional Dirac materials and which may provide new opportunities to realize high-speed low-dissipation devices. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000539375800001 | Publication Date | 2020-04-29 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 0953-8984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.7 | Times cited | 45 | Open Access | |
Notes | ; This work was supported by the National Research Foundation of Korea(NRF) Grant funded by the Korea government(MSIT)(NRF-2017R1A2B2011989). In addition, this work was supported by the Flemish Science Foundation (FW0-Vl). ; | Approved | Most recent IF: 2.7; 2020 IF: 2.649 | ||
Call Number | UA @ admin @ c:irua:169756 | Serial | 6616 | ||
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Author | Silva, F.C.O.; Menezes, R.M.; Cabral, L.R.E.; de Souza Silva, C.C. | ||||
Title | Formation and stability of conformal spirals in confined 2D crystals | Type | A1 Journal article | ||
Year | 2020 | Publication | Journal Of Physics-Condensed Matter | Abbreviated Journal | J Phys-Condens Mat |
Volume | 32 | Issue | 50 | Pages | 505401 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | We investigate the ground-state and dynamical properties of nonuniform two-dimensional (2D) clusters of long-range interacting particles. We demonstrate that, when the confining external potential is designed to produce an approximate 1/ r 2 density profile, the particles crystallize into highly ordered structures featuring spiral crystalline lines. Despite the strong inhomogeneity of the observed configurations, most of them are characterized by small density of topological defects, typical of conformal crystals, and the net topological charge induced by the simply-connected geometry of the system is concentrated near the cluster center. These crystals are shown to be robust with respect to thermal fluctuations up to a certain threshold temperature, above which the net charge is progressively redistributed from the center to the rest of the system and the topological order is lost. The crystals are also resilient to the shear stress produced by a small nonuniform azimuthal force field, rotating as a rigid body (RB). For larger forces, topological defects proliferate and the RB rotation gives place to plastic flow. | ||||
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Language | Wos | Publication Date | 2020-08-19 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0953-8984 | ISBN | Additional Links | UA library record | |
Impact Factor | 2.7 | Times cited | Open Access | ||
Notes | Approved | Most recent IF: 2.7; 2020 IF: 2.649 | |||
Call Number | UA @ admin @ c:irua:191093 | Serial | 7978 | ||
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Author | Ozcan, M.; Ozen, S.; Yagmurcukardes, M.; Sahin, H. | ||||
Title | Structural, electronic and vibrational properties of ultra-thin octahedrally coordinated structure of EuO2 | Type | A1 Journal article | ||
Year | 2020 | Publication | Journal Of Magnetism And Magnetic Materials | Abbreviated Journal | J Magn Magn Mater |
Volume | 493 | Issue | 493 | Pages | 165668 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Novel stable ultra-thin phases of europium oxide are investigated by means of state-of-the-art first principles calculations. Total energy calculations show that single layers of EuO2 and Eu(OH)(2) can be stabilized in an octahedrally coordinated (1T) atomic structure. However, phonon calculations reveal that although both structures are energetically feasible, only the 1T-EuO2 phase has dynamical stability. The phonon spectrum of 1T-EuO2 displays three Raman active modes; a non-degenerate out-of-plane A(1g) mode at 353.5 cm(-1) and two doubly-degenerate in-plane E-g modes at 304.3 cm(-1). Furthermore, magnetic ground state and electronic band dispersion calculations show that the single layer EuO2 is a metal with net magnetic moment of 5(mu B) per unitcell resulting in a half-metallic ferrimagnetic behavior. Moreover, robustness of the half-metallic ferrimagnetic characteristics of EuO2 is confirmed by the application of electric field and charging. Single layer 1T-EuO2, with its stable ultra-thin structure and half-metallic ferrimagnetic feature, is a promising novel material for nanoscale electronic and spintronic applications. | ||||
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Language | Wos | 000486397800003 | Publication Date | 2019-08-03 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0304-8853 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.7 | Times cited | 1 | Open Access | |
Notes | ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). HS acknowledges financial support from the TUBITAK under the project number 117F095. MY is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship. ; | Approved | Most recent IF: 2.7; 2020 IF: 2.63 | ||
Call Number | UA @ admin @ c:irua:162755 | Serial | 6323 | ||
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Author | Hillen, M.; Legrand, S.; Dirkx, Y.; Janssens, K.; van der Snickt, G.; Caen, J.; Steenackers, G. | ||||
Title | Cluster analysis of IR thermography data for differentiating glass types in historical leaded-glass windows | Type | A1 Journal article | ||
Year | 2020 | Publication | Applied Sciences-Basel | Abbreviated Journal | Appl Sci-Basel |
Volume | 10 | Issue | 12 | Pages | 4255-13 |
Keywords | A1 Journal article; Engineering sciences. Technology; Antwerp Cultural Heritage Sciences (ARCHES); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | Infrared thermography is a fast, non-destructive and contactless testing technique which is increasingly used in heritage science. The aim of this study was to assess the ability of infrared thermography, in combination with a data clustering approach, to differentiate between the different types of historical glass that were included in a colorless leaded-glass windows during previous restoration interventions. Inspection of the thermograms and the application of two data mining techniques on the thermal data, i.e., k-means clustering and hierarchical clustering, allowed identifying different groups of window panes that show a different thermal behavior. Both clustering approaches arrive at similar groupings of the glass with a clear separation of three types. However, the lead cames that hold the glass panes appear to have a substantial impact on the thermal behavior of the surrounding glass, thus preventing classification of the smallest glass panes. For the larger panes, this was not a critical issue as the center of the glass remained unaffected. Subtle visual color differences between panes, implying a variation in coloring metal ions, was not always distinguished by IRT. Nevertheless, data clustering assisted infrared thermography shows potential as an efficient and swift method for documenting the material intervention history of leaded-glass windows during or in preparation of conservation treatments. | ||||
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Language | Wos | 000549351800001 | Publication Date | 2020-06-22 | |
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ISSN | 2076-3417 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.7 | Times cited | Open Access | ||
Notes | Approved | Most recent IF: 2.7; 2020 IF: 1.679 | |||
Call Number | UA @ admin @ c:irua:170012 | Serial | 7674 | ||
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Author | Kahraman, Z.; Yagmurcukardes, M.; Sahin, H. | ||||
Title | Functionalization of single-layer TaS₂ and formation of ultrathin Janus structures | Type | A1 Journal article | ||
Year | 2020 | Publication | Journal Of Materials Research | Abbreviated Journal | J Mater Res |
Volume | 35 | Issue | 11 | Pages | 1397-1406 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Ab initio calculations are performed to investigate the structural, vibrational, electronic, and piezoelectric properties of functionalized single layers of TaS2. We find that single-layer TaS2 is a suitable host material for functionalization via fluorination and hydrogenation. The one-side fluorinated (FTaS2) and hydrogenated (HTaS2) single layers display indirect gap semiconducting behavior in contrast to bare metallic TaS2. On the other hand, it is shown that as both surfaces of TaS2 are saturated anti-symmetrically, the formed Janus structure is a dynamically stable metallic single layer. In addition, it is revealed that out-of-plane piezoelectricity is created in all anti-symmetric structures. Furthermore, the Janus-type single-layer has the highest specific heat capacity to which longitudinal and transverse acoustical phonon modes have contribution at low temperatures. Our findings indicate that single-layer TaS2 is suitable for functionalization via H and F atoms that the formed, anti-symmetric structures display distinctive electronic, vibrational, and piezoelectric properties. | ||||
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Language | Wos | 000540764300005 | Publication Date | 2020-04-08 | |
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ISSN | 0884-2914 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.7 | Times cited | 1 | Open Access | |
Notes | ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. Acknowledges financial support from the TUBITAK under the project number 117F095. H.S. acknowledges support from Turkish Academy of Sciences under the GEBIP program. This work is supported by the Flemish Science Foundation (FWO-Vl) by a post-doctoral fellowship (M.Y.). ; | Approved | Most recent IF: 2.7; 2020 IF: 1.673 | ||
Call Number | UA @ admin @ c:irua:170185 | Serial | 6525 | ||
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Author | Shi, P.; Ratkowsky, D.A.; Gielis, J. | ||||
Title | The generalized Gielis geometric equation and its application | Type | A1 Journal article | ||
Year | 2020 | Publication | Symmetry-Basel | Abbreviated Journal | Symmetry-Basel |
Volume | 12 | Issue | 4 | Pages | 645-10 |
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | Many natural shapes exhibit surprising symmetry and can be described by the Gielis equation, which has several classical geometric equations (for example, the circle, ellipse and superellipse) as special cases. However, the original Gielis equation cannot reflect some diverse shapes due to limitations of its power-law hypothesis. In the present study, we propose a generalized version by introducing a link function. Thus, the original Gielis equation can be deemed to be a special case of the generalized Gielis equation (GGE) with a power-law link function. The link function can be based on the morphological features of different objects so that the GGE is more flexible in fitting the data of the shape than its original version. The GGE is shown to be valid in depicting the shapes of some starfish and plant leaves. | ||||
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Language | Wos | 000540222200156 | Publication Date | 2020-04-21 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 2073-8994 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.7 | Times cited | 4 | Open Access | |
Notes | ; This research was funded by the Jiangsu Government Scholarship for Overseas Studies (grant number: JS-2018-038). ; | Approved | Most recent IF: 2.7; 2020 IF: 1.457 | ||
Call Number | UA @ admin @ c:irua:168141 | Serial | 6526 | ||
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