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Author |
Marteleur, M.; Idrissi, H.; Amin-Ahmadi, B.; Prima, F.; Schryvers, D.; Jacques, P.J. |
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Title |
On the nucleation mechanism of {112} < 111 > mechanical twins in as-quenched beta metastable Ti-12 wt.% Mo alloy |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Materialia |
Abbreviated Journal |
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Volume |
7 |
Issue |
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Pages |
Unsp 100418 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Recently developed beta-metastable Ti grades take advantage of the simultaneous activation of TRIP and TWIP effects for enhancing their work hardening rate. However, the role of each plasticity mechanism on the macroscopic mechanical response is still unclear. In this work, the nucleation mechanism of the first activated plasticity mechanism, namely {112} < 111 > twinning, was investigated. Firstly, post-mortem TEM analysis showed that twins nucleate on pre-existing microstructural defects such as thermal jogs with the zonal dislocation mechanism. The precipitation of the omega phase on twin boundaries has been observed, as well as the emission of numerous dislocations from super-jogs present in these twin boundaries. It is also shown that {112} < 111 > twins act as effective dislocation sources for the subsequent plasticity mechanisms such as beta -> alpha '' martensitic transformation and {332} < 111 > twinning. Secondly, in situ TEM tensile testing of the investigated Ti grade highlighted the primary role of the initial defect configuration present in the microstructure. It is shown that twins cannot nucleate without the presence of specific defects allowing the triggering of the dislocation decomposition needed for the twinning mechanism highlighted in investigated bulk samples. |
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Wos |
000537131000052 |
Publication Date |
2019-07-31 |
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Series Issue |
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Edition |
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ISSN |
2589-1529 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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no |
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Call Number |
UA @ admin @ c:irua:170326 |
Serial |
6875 |
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Permanent link to this record |
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Author |
Callaert, C.; Bercx, M.; Lamoen, D.; Hadermann, J. |
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Title |
Interstitial defects in the van der Waals gap of Bi2Se3 |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online) |
Abbreviated Journal |
Acta Crystallogr B |
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Volume |
75 |
Issue |
4 |
Pages |
717-732 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Bi<sub>2</sub>Se<sub>3</sub>is a thermoelectric material and a topological insulator. It is slightly conducting in its bulk due to the presence of defects and by controlling the defects different physical properties can be fine tuned. However, studies of the defects in this material are often contradicting or inconclusive. Here, the defect structure of Bi<sub>2</sub>Se<sub>3</sub>is studied with a combination of techniques: high-resolution scanning transmission electron microscopy (HR-STEM), high-resolution energy-dispersive X-ray (HR-EDX) spectroscopy, precession electron diffraction tomography (PEDT), X-ray diffraction (XRD) and first-principles calculations using density functional theory (DFT). Based on these results, not only the observed defects are discussed, but also the discrepancies in results or possibilities across the techniques. STEM and EDX revealed interstitial defects with mainly Bi character in an octahedral coordination in the van der Waals gap, independent of the applied sample preparation method (focused ion beam milling or cryo-crushing). The inherent character of these defects is supported by their observation in the structure refinement of the EDT data. Moreover, the occupancy probability of the defects determined by EDT is inversely proportional to their corresponding DFT calculated formation energies. STEM also showed the migration of some atoms across and along the van der Waals gap. The kinetic barriers calculated using DFT suggest that some paths are possible at room temperature, while others are most probably beam induced. |
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Wos |
000480512600024 |
Publication Date |
2019-08-01 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
2052-5206 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.032 |
Times cited |
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Open Access |
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Notes |
University of Antwerp, 31445 ; Acknowledgements We thank Artem M. Abakumov for providing the original Bi2Se3 sample and are also very grateful to Christophe Vandevelde for trying repeatedly to get good single crystal X-ray diffraction data out of each of our failed attempts at making an undeformed single crystal. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. |
Approved |
Most recent IF: 2.032 |
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Call Number |
EMAT @ emat @c:irua:161847 |
Serial |
5295 |
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Permanent link to this record |
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Author |
Van Nijen, K.; Van Passel, S.; Brown, C.G.; Lodge, M.W.; Segerson, K.; Squires, D. |
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Title |
The development of a payment regime for deep sea mining activities in the area through stakeholder participation |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
International Journal Of Marine And Coastal Law |
Abbreviated Journal |
Int J Mar Coast Law |
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Volume |
34 |
Issue |
4 |
Pages |
571-601 |
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Keywords |
A1 Journal article; Economics; Law; Engineering Management (ENM) |
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Abstract |
In July 2015, the Council of the International Seabed Authority (ISA) adopted seven priority deliverables for the development of the exploitation code. The first priority was the development of a zero draft of the exploitation regulations. This article focusses on the second priority deliverable, namely the development of a payment mechanism for exploitation activities, following detailed financial and economic models based on proposed business plans. Between 2015 and 2017, five workshops have been organised with 196 active participants from 34 countries. The results so far are synthesised, drawing upon the outcome of these workshops, ISA technical papers, and the scholarly literature. |
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Wos |
000496420700002 |
Publication Date |
2019-08-01 |
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Abbreviated Series Title |
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Series Volume |
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Edition |
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ISSN |
0927-3522 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
0.362 |
Times cited |
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Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 0.362 |
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Call Number |
UA @ admin @ c:irua:164294 |
Serial |
6181 |
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Permanent link to this record |
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Author |
Gezahegn, T.W.; Van Passel, S.; Berhanu, T.; D'Haese, M.; Maertens, M. |
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Title |
Big is efficient : evidence from agricultural cooperatives in Ethiopia |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Agricultural Economics |
Abbreviated Journal |
Agr Econ-Blackwell |
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Volume |
50 |
Issue |
50 |
Pages |
555-566 |
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Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
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Abstract |
In Ethiopia, there is a renewed interest in agricultural cooperatives as an institutional tool to improve the welfare of smallholder farmers. One of the pathways through which cooperatives benefit their members is scale economies. However, the establishment of cooperatives in Ethiopia seems to pay little attention to the size of the organizations. This article aims at investigating the effect of size on cost efficiency of agricultural cooperatives. More specifically, the purpose is to examine whether a single cooperative can serve a given number of farmers at a lower cost than two or more smaller cooperatives could. We employ the concept of cost subadditivity to compare the cost efficiency of large versus small cooperatives, and by extension unilateral actions. We estimate a flexible production technology using cross-sectional cooperative-level data. Findings show that costs would drop by 78% to 181% if farmers join hands in relatively large rather than small cooperatives. |
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Wos |
000480797700001 |
Publication Date |
2019-08-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0169-5150 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
1.758 |
Times cited |
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Open Access |
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Notes |
; VLIR-UOS-ZEIN2015PR406 (13V95615T) PROGRAMME(TEAM), Belgium ; |
Approved |
Most recent IF: 1.758 |
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Call Number |
UA @ admin @ c:irua:161812 |
Serial |
6161 |
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Permanent link to this record |
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Author |
Shaw, P.; Kumar, N.; Hammerschmid, D.; Privat-Maldonado, A.; Dewilde, S.; Bogaerts, A. |
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Title |
Synergistic Effects of Melittin and Plasma Treatment: A Promising Approach for Cancer Therapy |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Cancers |
Abbreviated Journal |
Cancers |
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Volume |
11 |
Issue |
8 |
Pages |
1109 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Melittin (MEL), a small peptide component of bee venom, has been reported to exhibit anti-cancer effects in vitro and in vivo. However, its clinical applicability is disputed because of its non-specific cytotoxicity and haemolytic activity in high treatment doses. Plasma-treated phosphate buffered saline solution (PT-PBS), a solution rich in reactive oxygen and nitrogen species (RONS) can disrupt the cell membrane integrity and induce cancer cell death through oxidative stress-mediated pathways. Thus, PT-PBS could be used in combination with MEL to facilitate its access into cancer cells and to reduce the required therapeutic dose. The aim of our study is to determine the reduction of the effective dose of MEL required to eliminate cancer cells by its combination with PT-PBS. For this purpose, we have optimised the MEL threshold concentration and tested the combined treatment of MEL and PT-PBS on A375 melanoma and MCF7 breast cancer cells, using in vitro, in ovo and in silico approaches. We investigated the cytotoxic effect of MEL and PT-PBS alone and in combination to reveal their synergistic cytological effects. To support the in vitro and in ovo experiments, we showed by computer simulations that plasma-induced oxidation of the phospholipid bilayer leads to a decrease of the free energy barrier for translocation of MEL in comparison with the non-oxidized bilayer, which also suggests a synergistic effect of MEL with plasma induced oxidation. Overall, our findings suggest that MEL in combination with PT-PBS can be a promising combinational therapy to circumvent the non-specific toxicity of MEL, which may help for clinical applicability in the future. |
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Wos |
000484438000069 |
Publication Date |
2019-08-03 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2072-6694 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
1 |
Open Access |
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Notes |
We gratefully acknowledge financial support from the Research Foundation—Flanders (FWO), grant number 12J5617N. We are thankful to Maksudbek Yusupov for his valuable discussions, and to the Center for Oncological Research (CORE), for providing the facilities for the experimental work. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the University Antwerp, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the University of Antwerp. |
Approved |
Most recent IF: NA |
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Call Number |
PLASMANT @ plasmant @c:irua:161630 |
Serial |
5286 |
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Permanent link to this record |
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Author |
Sharp, J.; Mueller, I.C.; Mandal, P.; Abbas, A.; Nord, M.; Doye, A.; Ehiasarian, A.; Hovsepian, P.; MacLaren, I.; Rainforth, W.M. |
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Title |
Characterisation of a high-power impulse magnetron sputtered C/Mo/W wear resistant coating by transmission electron microscopy |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Surface and coatings technology |
Abbreviated Journal |
Surf Coat Tech |
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Volume |
377 |
Issue |
377 |
Pages |
124853 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Thin films of C/Mo/W deposited using combined UBM/HIPIMS sputtering show 2-8 nm clusters of material richer in Mo and W than the matrix (found by EDS microanalysis), with structures that resemble graphitic onions with the metal atoms arranged regularly within them. EELS microanalysis showed the clusters to be rich in W and Mo. As the time averaged power used in the pulsed HIPIMS magnetron was increased, the clusters became more defined, larger, and arranged into layers with amorphous matrix between them. Films deposited with average HIPIMS powers of 4 kW and 6 kW also showed a periodic modulation of the cluster density within the finer layers giving secondary, wider stripes in TEM. By analysing the ratio between the finer and coarser layers, it was found that this meta-layering is related to the substrate rotation in the deposition chamber but in a non-straightforward way. Reasons for this are proposed. The detailed structure of the clusters remains unknown and is the subject of further work. Fluctuation electron microscopy results indicated the presence of crystal planes with the graphite interlayer spacing, crystal planes in hexagonal WC perpendicular to the basal plane, and some plane spacings found in Mo2C. Other peaks in the FEM results suggested symmetry-related starting points for future determination of the structure of the clusters. |
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Wos |
000488417800015 |
Publication Date |
2019-08-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0257-8972 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.589 |
Times cited |
1 |
Open Access |
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Notes |
; J.S. thanks the Mercury Centre at the University of Sheffield for funding, which was part funded by the ERDF under grant MERCURY 904467. I.C.M. acknowledges support from CONACyT and RobertoRocca Education Fellowship. We gratefully acknowledge funding from EPSRC for the pixelated STEM detector and the software used in its operation for the fluctuation microscopy (EP/M009963/ 1, EP/K503903/1 & EP/R511705/1). AD was supported by the EPSRC CDT in Integrative Sensing and Measurement, Grant Number EP/L016753/1. Funding sources did not influence the planning or execution of this work except to enable it. ; |
Approved |
Most recent IF: 2.589 |
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Call Number |
UA @ admin @ c:irua:163700 |
Serial |
5383 |
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Permanent link to this record |
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Author |
Ozcan, M.; Ozen, S.; Yagmurcukardes, M.; Sahin, H. |
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Title |
Structural, electronic and vibrational properties of ultra-thin octahedrally coordinated structure of EuO2 |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Journal Of Magnetism And Magnetic Materials |
Abbreviated Journal |
J Magn Magn Mater |
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Volume |
493 |
Issue |
493 |
Pages |
165668 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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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Wos |
000486397800003 |
Publication Date |
2019-08-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-8853 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.7 |
Times cited |
1 |
Open Access |
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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 |
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Call Number |
UA @ admin @ c:irua:162755 |
Serial |
6323 |
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Permanent link to this record |
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Author |
Hadermann, J.; Abakumov, A.M. |
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Title |
Structure solution and refinement of metal-ion battery cathode materials using electron diffraction tomography |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
And Materials |
Abbreviated Journal |
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Volume |
75 |
Issue |
4 |
Pages |
485-494 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The applicability of electron diffraction tomography to the structure solution and refinement of charged, discharged or cycled metal-ion battery positive electrode (cathode) materials is discussed in detail. As these materials are often only available in very small amounts as powders, the possibility of obtaining single-crystal data using electron diffraction tomography (EDT) provides unique access to crucial information complementary to X-ray diffraction, neutron diffraction and high-resolution transmission electron microscopy techniques. Using several examples, the ability of EDT to be used to detect lithium and refine its atomic position and occupancy, to solve the structure of materials ex situ at different states of charge and to obtain in situ data on structural changes occurring upon electrochemical cycling in liquid electrolyte is discussed. |
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Wos |
000480512600002 |
Publication Date |
2019-08-05 |
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Abbreviated Series Title |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
2 |
Open Access |
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Notes |
; The following funding is acknowledged: Fonds Wetenschappelijk Onderzoek (grant No. G040116N); Russian Foundation of Basic Research (grant No. 17-03-00370-a). ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:161846 |
Serial |
5397 |
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Permanent link to this record |
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Author |
Pennycook, T.J.; Martinez, G.T.; O'Leary, C.M.; Yang, H.; Nellist, P.D. |
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Title |
Efficient Phase Contrast Imaging via Electron Ptychography, a Tutorial |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Microscopy and microanalysis |
Abbreviated Journal |
Microsc Microanal |
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Volume |
25 |
Issue |
S2 |
Pages |
2684-2685 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Wos |
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Publication Date |
2019-08-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1431-9276 |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
EMAT @ emat @c:irua:172444 |
Serial |
6424 |
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Permanent link to this record |
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Author |
Fedotov, S.S.; Aksyonov, D.A.; Samarin, A.S.; Karakulina, O.M.; Hadermann, J.; Stevenson, K.J.; Khasanova, N.R.; Abakumov, A.M.; Antipov, E., V |
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Title |
Tuning the crystal structure of A2CoPO4F(A=Li,Na) fluoride-phosphates : a new layered polymorph of LiNaCoPO4F |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
European journal of inorganic chemistry |
Abbreviated Journal |
Eur J Inorg Chem |
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Volume |
2019 |
Issue |
2019 |
Pages |
4365-4372 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Co-containing fluoride-phosphates are of interest in sense of delivering high electrode potentials and attractive specific energy values as positive electrode materials for rechargeable batteries. In this paper we report on a new Co-based fluoride-phosphate, LiNaCoPO4F, with a layered structure (2D), which was Rietveld-refined based on X-ray powder diffraction data [P2(1)/c, a = 6.83881(4) angstrom, b = 11.23323(5) angstrom, c = 5.07654(2) angstrom, beta = 90.3517(5) degrees, V = 389.982(3) angstrom(3)] and validated by electron diffraction and high-resolution scanning transmission electron microscopy. The differential scanning calorimetry measurements revealed that 2D-LiNaCoPO4F forms in a narrow temperature range of 520-530 degrees C and irreversibly converts to the known 3D-LiNaCoPO4F modification (Pnma) above 530 degrees C. The non-carbon-coated 2D-LiNaCoPO4F shows reversible electrochemical activity in Li-ion cell in the potential range of 3.0-4.9 V vs. Li/Li+ with an average potential of approximate to 4.5 V and in Na-ion cell in the range of 3.0-4.5 V vs. Na/Na+ exhibiting a plateau profile centered around 4.2 V, in agreement with the calculated potentials by density functional theory. The energy barriers for both Li+ and Na+ migration in 2D-LiNaCoPO4F amount to 0.15 eV along the [001] direction rendering 2D-LiNaCoPO4F as a viable electrode material for high-power Li- and Na-ion rechargeable batteries. The discovery and stabilization of the 2D-LiNaCoPO4F polymorph indicates that temperature influence on the synthesis of A(2)MPO(4)F fluoride-phosphates needs more careful examination with perspective to unveil new structures. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000484135500001 |
Publication Date |
2019-08-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1434-1948 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.444 |
Times cited |
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Open Access |
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Notes |
; This work is supported by the Russian Science Foundation (grant 17-73-30006). The authors greatly thank Dr. D. Rupasov for TG-DSC experiments, B. D. Shmykov and A. I. Manoilov for assistance with sample preparation, the Skoltech Center for Energy Science and Technology and the Moscow State University Program of Development up to 2020. J. Hadermann and O. M. Karakulina acknowledge support from the FWO under grant G040116N. ; |
Approved |
Most recent IF: 2.444 |
|
|
Call Number |
UA @ admin @ c:irua:162857 |
Serial |
5403 |
|
Permanent link to this record |
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Author |
Shah, N.A.; Li, L.L.; Mosallanejad, V.; Peeters, F.M.; Guo, G.-P. |
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Title |
Transport characteristics of multi-terminal pristine and defective phosphorene systems |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
|
|
Volume |
30 |
Issue |
45 |
Pages |
455705 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
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Abstract |
Atomic vacancies and nanopores act as local scattering centers and modify the transport properties of charge carriers in phosphorene nanoribbons (PNRs). We investigate the influence of such atomic defects on the electronic transport of multi-terminal PNR. We use the non-equilibrium Green's function approach within the tight-binding framework to calculate the transmission coefficient and the conductance. Terminals induce band mixing resulting in oscillations in the conductance. In the presence of atomic vacancies and nanopores the conductance between non-axial terminals exhibit constructive scattering, which is in contrast to mono-axial two-terminal systems where the conductance exhibits destructive scattering. This can be understood from the spatial local density of states of the transport modes in the system. Our results provide fundamental insights into the electronic transport in PNR-based multi-terminal systems and into the ability of atomic defects and nanopores through tuning the transport properties. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000483049100001 |
Publication Date |
2019-08-07 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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|
ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.44 |
Times cited |
8 |
Open Access |
|
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|
Notes |
; This work was supported by the National Key Research and Development Program of China (Grant No. 2016YFA0301700), the NNSFC (Grant No. 11625419), the Strategic Priority Research Program of the CAS (Grant Nos. XDB24030601 and XDB30000000), the Anhui initiative in Quantum information Technologies (Grants No. AHY080000), and the Flemish Science Foundation (FWO-Vl). This work was also supported by the Chinese Academy of Sciences and the World Academy of Science for the advancement of science in developing countries. ; |
Approved |
Most recent IF: 3.44 |
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|
Call Number |
UA @ admin @ c:irua:162760 |
Serial |
5429 |
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Permanent link to this record |
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Author |
Houben, K.; Jochum, J.K.; Lozano, D.P.; Bisht, M.; Menendez, E.; Merkel, D.G.; Ruffer, R.; Chumakov, A., I; Roelants, S.; Partoens, B.; Milošević, M.V.; Peeters, F.M.; Couet, S.; Vantomme, A.; Temst, K.; Van Bael, M.J. |
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Title |
In situ study of the \alpha-Sn to \beta-Sn phase transition in low-dimensional systems : phonon behavior and thermodynamic properties |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
100 |
Issue |
7 |
Pages |
075408 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The densities of phonon states of thin Sn films on InSb substrates are determined during different stages of the alpha-Sn to beta-Sn phase transition using nuclear inelastic x-ray scattering. The vibrational entropy and internal energy per atom as a function of temperature are obtained by numerical integration of the phonon density of states. The free energy as a function of temperature for the nanoscale samples is compared to the free energy obtained from ab initio calculations of bulk tin in the alpha-Sn and beta-Sn phase. In thin films this phase transition is governed by the interplay between the vibrational behavior of the film (the phase transition is driven by the vibrational entropy) and the stabilizing influence of the substrate (which depends on the film thickness). This brings a deeper understanding of the role of lattice vibrations in the phase transition of nanoscale Sn. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000478992800005 |
Publication Date |
2019-08-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
9 |
Open Access |
|
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|
Notes |
; This work was supported by the Research Foundation Flanders (FWO) and the Concerted Research Action (Grant No. GOA14/007). K.H., S.C., D.P.L., and E.M. wish to thank the FWO for financial support. The authors gratefully acknowledge the European Synchrotron Radiation Facility (ESRF) for the granted beam time and the use of the in situ UHV preparation chamber. The authors thank B. Opperdoes for technical support and T. Peissker and R. Lieten for fruitful discussions. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:161836 |
Serial |
5416 |
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Permanent link to this record |
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Author |
Creemers, S.; Van Passel, S.; Vigani, M.; Vlahos, G. |
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Title |
Relationship between farmers' perception of sustainability and future farming strategies : a commodity-level comparison |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
AIMS Agriculture and Food |
Abbreviated Journal |
|
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Volume |
4 |
Issue |
3 |
Pages |
613-642 |
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Keywords |
A1 Journal article; Engineering Management (ENM) |
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Abstract |
The environmental challenges have become increasingly integrated into the European Union's Common Agricultural Policy (CAP). The Europe 2020 CAP Framework defines new rules for farmers and targets on innovation, resource efficiency, economic viability, and environmental sustainability. Given the continual evolution of the CAP, it is relevant to focus on sustainable agriculture and which indicators can be employed to aid our understanding of the future farming strategies. This study examines the relationship between perceived sustainability and future farming strategies for three different commodities: sugar beet, dairy, and feta cheese. Survey data collected between 2017-2018 from 191 Belgian sugar beet farmers, 524 dairy farmers (from UK, Denmark, France, and Latvia), and 150 Greek sheep and goat farmers producing milk for feta cheese were analysed using multinomial logistic regressions. Our results show that the farmers' attitude towards sustainability affects intentions to implement specific farming strategies. Belgian sugar beet farmers who perceive their supply chain arrangements (SCAs) environmentally sustainable are less likely to reduce the scale of their farms' operations rather than to maintain them. Dairy farmers are more likely to change the existing scale than to maintain scale if they perceive that production choices affect environmental sustainability to a higher extent. Dairy farmers who perceive their SCAs economically sustainable are less likely to abandon farming. Greek sheep and goat farmers who perceive their SCAs economically sustainable are more likely to expand the existing scale. The observed differences at commodity-level show the importance of well targeted policy measures towards more sustainable farming systems in the European Union. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000488251600009 |
Publication Date |
2019-08-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
2471-2086 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
1 |
Open Access |
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Notes |
; This research was performed within the frame of the EU's HORIZON 2020 project SUFISA with the grant agreement number 635577. The authors want to thank colleagues from the SUFISA project for stimulating and inspiring discussions on this topic. In particular we would like to thank all the participants of the 2019 SUFISA final conference at the Jagiellonian University of Krakow for fruitful discussions. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:163832 |
Serial |
6242 |
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Permanent link to this record |
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Author |
Biely, K.; Mathijs, E.; Van Passel, S. |
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Title |
Causal loop diagrams to systematically analyze market power in the Belgian sugar value chain |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
AIMS Agriculture and Food |
Abbreviated Journal |
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Volume |
4 |
Issue |
3 |
Pages |
711-730 |
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Keywords |
A1 Journal article; Engineering Management (ENM) |
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Abstract |
It has been acknowledged that power is a fundamental aspect that needs to be considered when performing a value chain analysis. The structure of the value chain is indicative of the power distribution along the chain. By employing systems thinking the structure of the value chain can be further investigated and inferences on market power issues can be made. This novel approach connects value chain research with insights from Industrial Organization (IO) literature. Depending on the case, market power may not be measurable by traditional economic tools. Systems thinking offers an alternative tool, allowing the employment of qualitative and quantitative data, overcoming drawbacks of IO methods and providing more depth to value chain analysis. In this paper the valuable contribution of systems thinking to market power analysis is exemplified by the Belgian sugar beet case. The analysis showed that transportability and perishability of sugar beet are key causes of market failure in the Belgian sugar value chain. Systems thinking can support understanding potential future behavior of the market based on the thorough understanding of the current market structure. We illustrate how to integrate factors determining the market structure into causal loop diagrams. This novel approach allows a comprehensive evaluation and thus opens up market power analysis to interdisciplinary research. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000488251600014 |
Publication Date |
2019-08-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2471-2086 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
|
Open Access |
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|
Notes |
; This research was performed within the frame of the EU's HORIZON 2020 project SUFISA with the grant agreement number 635577. The authors want to thank colleagues from the SUFISA project for stimulating and inspiring discussions on this topic. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:163833 |
Serial |
6165 |
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Permanent link to this record |
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Author |
Li, J.; Zhao, C.; Yang, Y.; Li, C.; Hollenkamp, T.; Burke, N.; Hu, Z.-Y.; Van Tendeloo, G.; Chen, W. |
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Title |
Synthesis of monodispersed CoMoO4 nanoclusters on the ordered mesoporous carbons for environment-friendly supercapacitors |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Journal of alloys and compounds |
Abbreviated Journal |
J Alloy Compd |
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Volume |
810 |
Issue |
810 |
Pages |
151841 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Binary metal oxides with superior charge capacity and electrochemical activity have gained great interests. In this work, monodispersed CoMoO4 nanoclusters on the ordered mesoporous carbons were fabricated by a facile self-developed impregnation method. The synthesized hybrids possess improved wettability, high specific surface area (> 700m(2)/g) and regular mesoporous channels (similar to 4 nm), resulting in improved electrochemical performance for supercapacitors. These well-dispersed CoMoO4 nanoclusters exhibit a significant specific capacitance up to 367 F/g in the aqueous KNO3 electrolyte and good reversibility with a cycling efficiency of 99.8%. It is proposed that the mesoporous structure can facilitate the diffusion of electrolyte ions and then accelerate the electrochemical utilization of CoMoO4 nanoclusters. The results demonstrate that the produced binary metal oxide nanoclusters with excellent capacitance and good retention can be used as promising electrodes for the environment-friendly supercapacitors. (C) 2019 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000486596000030 |
Publication Date |
2019-08-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0925-8388 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.133 |
Times cited |
6 |
Open Access |
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Notes |
; Financial support by the National Key R&D Program of China (2016YB0303900) and the Fundamental Research Funds for the Central Universities (WUT: 2019III012GX) are gratefully acknowledged. The authors extend their appreciation to the support by CSIRO. ; |
Approved |
Most recent IF: 3.133 |
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Call Number |
UA @ admin @ c:irua:162759 |
Serial |
5398 |
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Permanent link to this record |
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Author |
Nematollahi, P.; Neyts, E.C. |
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Title |
Direct methane conversion to methanol on M and MN4 embedded graphene (M = Ni and Si): a comparative DFT study |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
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Volume |
496 |
Issue |
496 |
Pages |
143618 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The ever increasing global production and dispersion of methane requires novel chemistry to transform it into easily condensable energy carriers that can be integrated into the chemical infrastructure. In this context, single atom catalysts have attracted considerable interest due to their outstanding catalytic activity. We here use density functional theory (DFT) computations to compare the reaction and activation energies of M and MN4 embedded graphene (M = Ni and Si) on the methane-to-methanol conversion near room temperature. Thermodynamically, conversion of methane to methanol is energetically favorable at ambient conditions. Both singlet and triplet spin state of the studied systems are considered in all of the calculations. The DFT results show that the barriers are significantly lower when the complexes are in the triplet state than in the singlet state. In particular, Si-G with the preferred spin multiplicity of triplet seems to be viable catalysts for methane oxidation thanks to the corresponding lower energy barriers and higher stability of the obtained configurations. Our results provide insights into the nature of methane conversion and may serve as guidance for fabricating cost-effective graphene-based single atom catalysts. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000488957400004 |
Publication Date |
2019-08-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.387 |
Times cited |
2 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.387 |
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Call Number |
UA @ admin @ c:irua:163695 |
Serial |
6294 |
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Permanent link to this record |
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Author |
Ozbal, G.; Senger, R.T.; Sevik, C.; Sevincli, H. |
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Title |
Ballistic thermoelectric properties of monolayer semiconducting transition metal dichalcogenides and oxides |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Physical review B |
Abbreviated Journal |
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Volume |
100 |
Issue |
8 |
Pages |
085415 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Combining first-principles calculations with Landauer-Mittiker formalism, ballistic thermoelectric transport properties of semiconducting two-dimensional transition metal dichalcogenides (TMDs) and oxides (TMOs) (namely MX2 with M = Cr, Mo, W, Ti, Zr, Hf; X = O, S, Se, Te) are investigated in their 2H and 1T phases. Having computed structural, as well as ballistic electronic and phononic transport properties for all structures, we report the thermoelectric properties of the semiconducting ones. We find that 2H phases of four of the studied structures have very promising thermoelectric properties, unlike their 1T phases. The maximum room temperature p-type thermoelectric figure of merit (ZT) of 1.57 is obtained for 2H-HfSe2, which can be as high as 3.30 at T = 800 K. Additionally, 2H-ZrSe2, 2H-ZrTe2, and 2H-HfS2 have considerable ZT values (both nand p-type), that are above 1 at room temperature. The 1T phases of Zr and Hf-based oxides possess relatively high power factors, however their high lattice thermal conductance values limit their ZT values to below 1 at room temperature. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000480389100007 |
Publication Date |
2019-08-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:193773 |
Serial |
7549 |
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Permanent link to this record |
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Author |
Choudhary, K.; Bercx, M.; Jiang, J.; Pachter, R.; Lamoen, D.; Tavazza, F. |
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Title |
Accelerated Discovery of Efficient Solar Cell Materials Using Quantum and Machine-Learning Methods |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
31 |
Issue |
15 |
Pages |
5900-5908 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Solar energy plays an important role in solving serious environmental
problems and meeting the high energy demand. However, the lack of suitable
materials hinders further progress of this technology. Here, we present the largest
inorganic solar cell material search till date using density functional theory (DFT) and
machine-learning approaches. We calculated the spectroscopic limited maximum
efficiency (SLME) using the Tran−Blaha-modified Becke−Johnson potential for 5097
nonmetallic materials and identified 1997 candidates with an SLME higher than 10%,
including 934 candidates with a suitable convex-hull stability and an effective carrier
mass. Screening for two-dimensional-layered cases, we found 58 potential materials
and performed G0W0 calculations on a subset to estimate the prediction uncertainty. As the above DFT methods are still computationally expensive, we developed a high accuracy machine-learning model to prescreen efficient materials and applied it to over a million materials. Our results provide a general framework and universal strategy for the design of high-efficiency solar
cell materials. The data and tools are publicly distributed at: https://www.ctcms.nist.gov/~knc6/JVASP.html, https://www.
ctcms.nist.gov/jarvisml/, https://jarvis.nist.gov/, and https://github.com/usnistgov/jarvis. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000480826900060 |
Publication Date |
2019-08-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.466 |
Times cited |
6 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 9.466 |
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Call Number |
EMAT @ emat @c:irua:161814 |
Serial |
5291 |
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Permanent link to this record |
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Author |
Thomassen, G.; Van Dael, M.; Van Passel, S.; You, F. |
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Title |
How to assess the potential of emerging green technologies? Towards a prospective environmental and techno-economic assessment framework |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Green Chemistry |
Abbreviated Journal |
Green Chem |
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Volume |
21 |
Issue |
18 |
Pages |
4868-4886 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
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Abstract |
For sustainable production and consumption, emerging green technologies need to be optimized towards a minimal environmental impact and a maximal economic impact. In an early stage of technology development, more flexibility is available to adapt the technology. Therefore, a prospective environmental and techno-economic assessment is required. The prospective assessment differs at the different stages of technology development, as also the data availability and accuracy evolves. This paper reviews the different prospective technological, economic and environmental assessment methods which have been used to assess the potential of new green chemical technologies. Based on the current best practices, an overarching framework is introduced to assess the technological, economic and environmental potential of an emerging green chemical technology at the different stages of technology development. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000486309300002 |
Publication Date |
2019-08-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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ISSN |
1463-9262; 1463-9270 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.125 |
Times cited |
5 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 9.125 |
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Call Number |
UA @ admin @ c:irua:163782 |
Serial |
6211 |
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Permanent link to this record |
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Author |
Bekaert, J.; Petrov, M.; Aperis, A.; Oppeneer, P.M.; Milošević, M.V. |
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Title |
Hydrogen-induced high-temperature superconductivity in two-dimensional materials : the example of hydrogenated monolayer MgB2 |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
123 |
Issue |
7 |
Pages |
077001 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Hydrogen-based compounds under ultrahigh pressure, such as the polyhydrides H3S and LaH10, superconduct through the conventional electron-phonon coupling mechanism to attain the record critical temperatures known to date. Here we exploit the intrinsic advantages of hydrogen to strongly enhance phonon-mediated superconductivity in a completely different system, namely, a two-dimensional material with hydrogen adatoms. We find that van Hove singularities in the electronic structure, originating from atomiclike hydrogen states, lead to a strong increase of the electronic density of states at the Fermi level, and thus of the electron-phonon coupling. Additionally, the emergence of high-frequency hydrogen-related phonon modes in this system boosts the electron-phonon coupling further. As a concrete example, we demonstrate the effect of hydrogen adatoms on the superconducting properties of monolayer MgB2, by solving the fully anisotropic Eliashberg equations, in conjunction with a first-principles description of the electronic and vibrational states, and their coupling. We show that hydrogenation leads to a high critical temperature of 67 K, which can be boosted to over 100 K by biaxial tensile strain. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000480611900017 |
Publication Date |
2019-08-14 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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ISSN |
0031-9007 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.462 |
Times cited |
42 |
Open Access |
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|
Notes |
; This work was supported by TOPBOF-UAntwerp, Research Foundation-Flanders (FWO), the Swedish Research Council (VR), the Rontgen-Angstrom Cluster, and the EU-COST Action CA16218. J.B. acknowledges support of a postdoctoral fellowship of the FWO. The computational resources and services used for the first principles calculations in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government-department EWI. Eliashberg theory calculations were supported through the Swedish National Infrastructure for Computing (SNIC). We would also like to acknowledge useful discussions with Bart Partoens, Jacques Tempere, and Matthieu Verstraete. ; |
Approved |
Most recent IF: 8.462 |
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Call Number |
UA @ admin @ c:irua:161816 |
Serial |
5415 |
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Permanent link to this record |
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Author |
Ma, Z.; Perreault, P.; Pelegrin, D.C.; Boffito, D.C.; Patience, G.S. |
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Title |
Thermodynamically unconstrained forced concentration cycling of methane catalytic partial oxidation over CeO2FeCralloy catalysts |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Chemical Engineering Journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
380 |
Issue |
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Pages |
122470-11 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Converting waste associated natural gas from oil fields is uneconomic with current gas-to-liquid technology. Micro Gas-to-Liquids technology ( GtL) combines process intensification and numbering up economics to reduce capital costs to convert flared and vented natural gas to value-added synthetic fuel: Milli-second contact times in the catalytic partial oxidation of methane (CPOX) integrated with a tandem Fischer-Tropsch (FT) step meets the economic constraints together with remote process control. FeCralloy knitted fibres with high thermal conductivity and low pressure drop, resist thermal and mechanical stresses in the high pressure CPOX step. The FeCralloy catalysts are free of pre-reduction treatments. We deposited Pt and/or CeO2 over the fibre surface via solution combustion synthesis. Methane conversion was higher at ambient pressure compared to 2 MPa while the Pt/CeO2 FeCralloy was relatively inert from 0.1 MPa to 2 MPa. However, both catalysts demonstrated high activity in quasi-chemical looping partial oxidation of methane: during the reduction step while feeding methane, an on-line mass spectrometer only detected H2 while in the oxidation step it detected predominantly CO. Kinetic modeling of the oxidation-reduction cycles suggests that the reaction follows a direct mechanism to produce CO and H2 rather than an indirect mechanism that first produces CO2 and H2O followed by reforming. |
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Wos |
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Publication Date |
2019-08-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1385-8947; 1873-3212 |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
15.1 |
Times cited |
|
Open Access |
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Notes |
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Approved |
Most recent IF: 15.1; 2020 IF: 6.216 |
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Call Number |
UA @ admin @ c:irua:162119 |
Serial |
8665 |
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Permanent link to this record |
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Author |
Sreepal, V.; Yagmurcukardes, M.; Vasu, K.S.; Kelly, D.J.; Taylor, S.F.R.; Kravets, V.G.; Kudrynskyi, Z.; Kovalyuk, Z.D.; Patane, A.; Grigorenko, A.N.; Haigh, S.J.; Hardacre, C.; Eaves, L.; Sahin, H.; Geim, A.K.; Peeters, F.M.; Nair, R.R. |
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Title |
Two-dimensional covalent crystals by chemical conversion of thin van der Waals materials |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
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Volume |
19 |
Issue |
9 |
Pages |
6475-6481 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Most of the studied two-dimensional (2D) materials have been obtained by exfoliation of van der Waals crystals. Recently, there has been growing interest in fabricating synthetic 2D crystals which have no layered bulk analogues. These efforts have been focused mainly on the surface growth of molecules in high vacuum. Here, we report an approach to making 2D crystals of covalent solids by chemical conversion of van der Waals layers. As an example, we used 2D indium selenide (InSe) obtained by exfoliation and converted it by direct fluorination into indium fluoride (InF3), which has a nonlayered, rhombohedral structure and therefore cannot possibly be obtained by exfoliation. The conversion of InSe into InF3 is found to be feasible for thicknesses down to three layers of InSe, and the obtained stable InF3 layers are doped with selenium. We study this new 2D material by optical, electron transport, and Raman measurements and show that it is a semiconductor with a direct bandgap of 2.2 eV, exhibiting high optical transparency across the visible and infrared spectral ranges. We also demonstrate the scalability of our approach by chemical conversion of large-area, thin InSe laminates obtained by liquid exfoliation, into InF3 films. The concept of chemical conversion of cleavable thin van der Waals crystals into covalently bonded noncleavable ones opens exciting prospects for synthesizing a wide variety of novel atomically thin covalent crystals. |
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Place of Publication |
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Language |
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Wos |
000486361900083 |
Publication Date |
2019-08-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1530-6984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.712 |
Times cited |
32 |
Open Access |
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Notes |
; This work was supported by the Royal Society, the European Research Council (contract 679689 and EvoluTEM 715502), and Engineering and Physical Sciences Research Council, U.K. (EP/N013670/1), The authors acknowledge the use of the facilities at the Henry Royce Institute for Advanced Materials and associated support services. H.S. acknowledges financial support from the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No. 117F095. M.Y. acknowledges the Flemish Science Foundation (FWO-Vl) for a postdoctoral fellowship. S.J.H. and D.J.K. acknowledge support from EPSRC (EP/P009050/1) and the NowNANO CDT. ; |
Approved |
Most recent IF: 12.712 |
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Call Number |
UA @ admin @ c:irua:162818 |
Serial |
5431 |
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Permanent link to this record |
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Author |
Morales-Yanez, F.; Trashin, S.; Hermy, M.; Sariego, I.; Polman, K.; Muyldermans, S.; De Wael, K. |
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Title |
Fast one-step ultrasensitive detection of toxocara canis antigens by a nanobody-based electrochemical magnetosensor |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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Volume |
91 |
Issue |
18 |
Pages |
11582-11588 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Human toxocariasis (HT) is a cosmopolitan zoonotic disease caused by the migration of the larval stage of the roundworm Toxocara canis. Current HT diagnostic methods do not discriminate between active and past infections. Here, we present a method to quantify Toxocara excretory/secretory antigen, aiming to identify active cases of HT. High specificity is achieved by employing nanobodies (Nbs), single domain antigen binding fragments from camelid heavy chain-only antibodies. High sensitivity is obtained by the design of an electrochemical magnetosensor with an amperometric read-out. Reliable detection of TES antigen at 10 and 30 pg/mL level was demonstrated in phosphate buffered saline and serum, respectively. Moreover, the assay showed no cross-reactivity with other nematode antigens. To our knowledge, this is the most sensitive method to quantify the TES antigen so far. It also has great potential to develop point of care diagnostic systems in other conditions where high sensitivity and specificity are required. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000487156900016 |
Publication Date |
2019-08-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.32 |
Times cited |
2 |
Open Access |
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Notes |
; This project was funded by the Fonds Wetenschappelijk Onderzoek-Vlaanderen (FWO-Flanders, Project G.0189.13N) and BOF UAntwerp. The authors acknowledge Prof. Pierre Dorny (Institute of Tropical Medicine Antwerp) and Dr. Beatrice Nickel (Swiss Institute of Tropical Medicine) for providing the antigens needed for the cross-reactivity experiments. ; |
Approved |
Most recent IF: 6.32 |
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Call Number |
UA @ admin @ c:irua:163784 |
Serial |
5621 |
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Permanent link to this record |
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Author |
Van Winckel, T.; Vlaeminck, S.E.; Al-Omari, A.; Bachmann, B.; Sturm, B.; Wett, B.; Takács, I.; Bott, C.; Murthy, S.N.; De Clippeleir, H. |
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Title |
Screen versus cyclone for improved capacity and robustness for sidestream and mainstream deammonification |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Environmental Science: Water Research & Technology |
Abbreviated Journal |
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Volume |
5 |
Issue |
10 |
Pages |
1769-1781 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Deammonification systems are being implemented as cost- and resource-efficient nitrogen removal processes. However, their complexity is a major hurdle towards successful transposition from side- to mainstream application. Merely out-selecting nitrite oxidizing bacteria (NOB) or retaining anammox bacteria (AnAOB) does not guarantee efficient mainstream deammonification. This paper presents for the first time the interactions and synergies between kinetic selection, through management of residual substrates, and physical selection, through separation of solid retention times (SRTs). This allowed the formulation of tangible operational recommendations for successful deammonification. Activity measurements were used to establish retention efficiencies (η) for AnAOB for full-scale cyclones and rotating drum screens installed at a sidestream and mainstream deammonification reactor (Strass, Austria). In the sidestream reactor, using a screen (η = 91%) instead of a cyclone (η = 88%) may increase the capacity by up to 29%. For the mainstream reactor, higher AnAOB retention efficiencies achieved by the screen (η = 72%) compared to the cyclone (η = 42%) induced a prospective increase in capacity by 80–90%. In addition, the switch in combination with bioaugmentation from the sidestream made the process less dependent on nitrite availability, thus aiding in the outselection of NOB. This allowed for a more flexible (intermittent) aeration strategy and a reduced need for tight SRT control for NOB washout. A sensitivity analysis explored expected trends to provide possible operational windows for further calibration. In essence, characterization of the physical selectors at full scale allowed a deeper understanding of operational windows of the process and quantification of capacity, ultimately leading to a more space and energy conservation process. |
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Wos |
000487968200013 |
Publication Date |
2019-08-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2053-1400 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:162540 |
Serial |
8498 |
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Permanent link to this record |
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Author |
Samaee, V.; Sandfeld, S.; Idrissi, H.; Groten, J.; Pardoen, T.; Schwaiger, R.; Schryvers, D. |
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Title |
Dislocation structures and the role of grain boundaries in cyclically deformed Ni micropillars |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Materials Science And Engineering A-Structural Materials Properties Microstructure And Processing |
Abbreviated Journal |
Mat Sci Eng A-Struct |
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Volume |
769 |
Issue |
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Pages |
138295 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Transmission electron microscopy and finite element-based dislocation simulations were combined to study the development of dislocation microstructures after cyclic deformation of single crystal and bicrystal Ni micropillars oriented for multi-slip. A direct correlation between large accumulation of plastic strain and the presence of dislocation cell walls in the single crystal micropillars was observed, while the presence of the grain boundary hampered the formation of wall-like structures in agreement with a smaller accumulated plastic strain. Automated crystallographic orientation and nanostrain mapping using transmission electron microscopy revealed the presence of lattice heterogeneities associated to the cell walls including long range elastic strain fields. By combining the nanostrain mapping with an inverse modelling approach, information about dislocation density, line orientation and Burgers vector direction was derived, which is not accessible otherwise in such dense dislocation structures. Simulations showed that the image forces associated with the grain boundary in this specific bicrystal configuration have only a minor influence on dislocation behavior. Thus, the reduced occurrence of “mature” cell walls in the bicrystal can be attributed to the available volume, which is too small to accommodate cell structures. |
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Place of Publication |
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Language |
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Wos |
000500373800018 |
Publication Date |
2019-08-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0921-5093 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.4 |
Times cited |
1 |
Open Access |
OpenAccess |
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Notes |
Financial support from the Flemish (FWO) and German Research Foundation (DFG) through the European M-ERA.NET project “FaSS” (Fatigue Simulation near Surfaces) under the grant numbers GA.014.13 N,SCHW855/5-1, and SA2292/2-1 is gratefully acknowledged. V.S. acknowledges the FWO research project G012012 N “Understanding nanocrystalline mechanical behaviour from structural investigations”. H.I. is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). S.S. acknowledges financial support from the European Research Council through the ERC Grant Agreement No. 759419 (MuDiLingo – A Multiscale Dislocation Language for Data- Driven Materials Science). |
Approved |
Most recent IF: 6.4; 2020 IF: 3.094 |
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Call Number |
EMAT @ emat @c:irua:163475 |
Serial |
5371 |
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Permanent link to this record |
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Author |
Einhäupl, P.V.; Krook, J.; Svensson, N.; Van Acker, K.; Van Passel, S. |
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Title |
Eliciting stakeholder needs : an anticipatory approach assessing enhanced landfill mining |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Waste Management |
Abbreviated Journal |
Waste Manage |
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Volume |
98 |
Issue |
98 |
Pages |
113-125 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
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Abstract |
Landfill owners, governmental institutions, technology providers, academia and local communities are important stakeholders involved in Enhanced Landfill Mining (ELFM). This concept of excavating and processing historical waste streams to higher added values can be seen as a continuation of traditional landfill mining (LFM) and seems to be an innovative and promising idea for potential environmental and societal benefits. However, ELFM's profitability is still under debate, and environmental as well as societal impacts have to be further investigated. This study provides a first step towards an anticipatory approach, assessing ELFM through stakeholder integration. In the study, semi-structured interviews were conducted with various stakeholders, involved in a case study in Flanders, Belgium. Participants were selected across a quadruple helix (QH) framework, i.e. industrial, governmental, scientific, and local community actors. The research comprises 13 interviews conducted with an aim to elicit stakeholder needs for ELFM implementation using a general inductive approach. In total 18 different stakeholder needs were identified. The paper explains how the stakeholder needs refer to the different dimensions of sustainability, which groups of stakeholders they primarily affect, and what types of uncertainty could be influenced by their implementation. The stakeholder needs are structured into societal, environmental, regulatory and techno-economic needs. Results show additional economic, environmental, and societal aspects of ELFM to be integrated into ELFM research, as well as a need for the dynamic modeling of impacts. (C) 2019 Elsevier Ltd. All rights reserved. |
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Wos |
000487175500012 |
Publication Date |
2019-08-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0956-053x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.03 |
Times cited |
3 |
Open Access |
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Notes |
; This project has received funding from the European Union's EU Framework Programme for Research and Innovation Horizon 2020 under Grant Agreement No 721185. ; |
Approved |
Most recent IF: 4.03 |
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Call Number |
UA @ admin @ c:irua:163760 |
Serial |
6193 |
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Permanent link to this record |
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Author |
Van der Paal, J.; Hong, S.-H.; Yusupov, M.; Gaur, N.; Oh, J.-S.; Short, R.D.; Szili, E.J.; Bogaerts, A. |
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Title |
How membrane lipids influence plasma delivery of reactive oxygen species into cells and subsequent DNA damage : an experimental and computational study |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
21 |
Issue |
35 |
Pages |
19327-19341 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The mechanisms of plasma in medicine are broadly attributed to plasma-derived reactive oxygen and nitrogen species (RONS). In order to exert any intracellular effects, these plasma-derived RONS must first traverse a major barrier in the cell membrane. The cell membrane lipid composition, and thereby the magnitude of this barrier, is highly variable between cells depending on type and state (e.g. it is widely accepted that healthy and cancerous cells have different membrane lipid compositions). In this study, we investigate how plasma-derived RONS interactions with lipid membrane components can potentially be exploited in the future for treatment of diseases. We couple phospholipid vesicle experiments, used as simple cell models, with molecular dynamics (MD) simulations of the lipid membrane to provide new insights into how the interplay between phospholipids and cholesterol may influence the response of healthy and diseased cell membranes to plasma-derived RONS. We focus on the (i) lipid tail saturation degree, (ii) lipid head group type, and (iii) membrane cholesterol fraction. Using encapsulated molecular probes, we study the influence of the above membrane components on the ingress of RONS into the vesicles, and subsequent DNA damage. Our results indicate that all of the above membrane components can enhance or suppress RONS uptake, depending on their relative concentration within the membrane. Further, we show that higher RONS uptake into the vesicles does not always correlate with increased DNA damage, which is attributed to ROS reactivity and lifetime. The MD simulations indicate the multifactorial chemical and physical processes at play, including (i) lipid oxidation, (ii) lipid packing, and (iii) lipid rafts formation. The methods and findings presented here provide a platform of knowledge that could be leveraged in the development of therapies relying on the action of plasma, in which the cell membrane and oxidative stress response in cells is targeted. |
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Wos |
000486175400045 |
Publication Date |
2019-08-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1463-9076; 1463-9084 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.123 |
Times cited |
1 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.123 |
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Call Number |
UA @ admin @ c:irua:162782 |
Serial |
6303 |
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Permanent link to this record |
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Author |
Sakarika, M.; Spanoghe, J.; Sui, Y.; Wambacq, E.; Grunert, O.; Haesaert, G.; Spiller, M.; Vlaeminck, S.E. |
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Title |
Purple non-sulphur bacteria and plant production: benefits for fertilization, stress resistance and the environment |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Microbial biotechnology |
Abbreviated Journal |
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Volume |
13 |
Issue |
5 |
Pages |
1336-1365 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Purple non-sulphur bacteria (PNSB) are phototrophic microorganisms, which increasingly gain attention in plant production due to their ability to produce and accumulate high-value compounds that are beneficial for plant growth. Remarkable features of PNSB include the accumulation of polyphosphate, the production of pigments and vitamins and the production of plant growth-promoting substances (PGPSs). Scattered case studies on the application of PNSB for plant cultivation have been reported for decades, yet a comprehensive overview is lacking. This review highlights the potential of using PNSB in plant production, with emphasis on three key performance indicators (KPIs): fertilization, resistance to stress (biotic and abiotic) and environmental benefits. PNSB have the potential to enhance plant growth performance, increase the yield and quality of edible plant biomass, boost the resistance to environmental stresses, bioremediate heavy metals and mitigate greenhouse gas emissions. Here, the mechanisms responsible for these attributes are discussed. A distinction is made between the use of living and dead PNSB cells, where critical interpretation of existing literature revealed the better performance of living cells. Finally, this review presents research gaps that remain yet to be elucidated and proposes a roadmap for future research and implementation paving the way for a more sustainable crop production. |
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Wos |
000482388700001 |
Publication Date |
2019-08-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1751-7915 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.7 |
Times cited |
10 |
Open Access |
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Notes |
; The authors would like to acknowledge: (i) the MIP i-Cleantech Flanders (Milieu-innovatieplatform; Environment innovation platform) project Microbial Nutrients on Demand (MicroNOD) for financial support; (ii) the China Scholarship Council for financially supporting Y. Sui (File No. 201507650015); (iii) the DOCPRO4 project 'PurpleTech', funded by the BOF (Bijzonder onderzoeksfonds); Special research fund from the University of Antwerp for financially supporting J. Spanoghe, and (iv) E. Koutsoukou for constructing components of Figs 5 and 6. ; |
Approved |
Most recent IF: 5.7; 2020 IF: NA |
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Call Number |
UA @ admin @ c:irua:162876 |
Serial |
6587 |
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Permanent link to this record |
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Author |
Pittarello, L.; Mckibbin, S.; Yamaguchi, A.; Ji, G.; Schryvers, D.; Debaille, V.; Claeys, P. |
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Title |
Two generations of exsolution lamellae in pyroxene from Asuka 09545 : Clues to the thermal evolution of silicates in mesosiderite |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
The American mineralogist |
Abbreviated Journal |
Am Mineral |
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Volume |
104 |
Issue |
11 |
Pages |
1663-1672 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Mesosiderite meteorites consist of a mixture of crustal basaltic or gabbroic material and metal. Their formation process is still debated due to their unexpected combination of crust and core materials, possibly derived from the same planetesimal parent body, and lacking an intervening mantle component. Mesosiderites have experienced an extremely slow cooling rate from ca. 550 degrees C, as recorded in the metal (0.25-0.5 degrees C/Ma). Here we present a detailed investigation of exsolution features in pyroxene from the Antarctic mesosiderite Asuka (A) 09545. Geothermobarometry calculations, lattice parameters, lamellae orientation, and the presence of clinoenstatite as the host were used in an attempt to constrain the evolution of pyroxene from 1150 to 570 degrees C and the formation of two generations of exsolution lamellae. After pigeonite crystallization at ca. 1150 degrees C, the first exsolution process generated the thick augite lamellae along (100) in the temperature interval 1000-900 degrees C. By further cooling, a second order of exsolution lamellae formed within augite along (001), consisting of monoclinic low-Ca pyroxene, equilibrated in the temperature range 900-800 degrees C. The last process, occurring in the 600-500 degrees C temperature range, was likely the inversion of high to low pigeonite in the host crystal, lacking evidence for nucleation of orthopyroxene. The formation of two generations of exsolution lamellae, as well as of likely metastable pigeonite, suggest non-equilibrium conditions. Cooling was sufficiently slow to allow the formation of the lamellae, their preservation, and the transition from high to low pigeonite. In addition, the preservation of such fine-grained lamellae limits long-lasting, impact reheating to a peak temperature lower than 570 degrees C. These features, including the presence of monoclinic low-Ca pyroxene as the host, are reported in only a few mesosiderites. This suggests a possibly different origin and thermal history from most mesosiderites and that the crystallography (i.e., space group) of low-Ca pyroxene could be used as parameter to distinguish mesosiderite populations based on their cooling history. |
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Wos |
000494707400014 |
Publication Date |
2019-08-22 |
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0003-004x |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.021 |
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Most recent IF: 2.021 |
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Call Number |
UA @ admin @ c:irua:164645 |
Serial |
6331 |
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Author |
Daems, D.; Rutten, I.; Bath, J.; Decrop, D.; Van Gorp, H.; Pérez Ruiz, E.; De Feyter, S.; Turberfield, A.J.; Lammertyn, J. |
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Title |
Controlling the bioreceptor spatial distribution at the nanoscale for single molecule counting in microwell arrays |
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A1 Journal article |
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Year |
2019 |
Publication |
ACS sensors |
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4 |
Issue |
9 |
Pages |
2327-2335 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The ability to detect low concentrations of protein biomarkers is crucial for the early-stage detection of many diseases and therefore indispensable for improving diagnostic devices for healthcare. Here, we demonstrate that by integrating DNA nanotechnologies like DNA origami and aptamers, we can design innovative biosensing concepts for reproducible and sensitive detection of specific targets. DNA origami structures decorated with aptamers were studied as a novel tool to structure the biosensor surface with nanoscale precision in a digital detection bioassay, enabling control of the density, orientation, and accessibility of the bioreceptor to optimize the interaction between target and aptamer. DNA origami was used to control the spatial distribution of an in-house-generated aptamer on superparamagnetic microparticles, resulting in an origami-linked digital aptamer bioassay to detect the main peanut antigen Ara h1 with 2-fold improved signal-to-noise ratio and 15-fold improved limit of detection compared to a digital bioassay without DNA origami. Moreover, the sensitivity achieved was 4 orders of magnitude higher than commercially available and literature-reported enzyme-linked immunosorbent assay techniques. In conclusion, this novel and innovative approach to engineer biosensing interfaces will be of major interest to scientists and clinicians looking for new molecular insights and ultrasensitive detection of a broad range of targets, and, for the next generation of diagnostics. |
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000488424100014 |
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2019-08-22 |
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2379-3694 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Call Number |
UA @ admin @ c:irua:166106 |
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7730 |
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