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Records |
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Author |
Van Aert, S.; De Backer, A.; Jones, L.; Martinez, G.T.; Béché, A.; Nellist, P.D. |
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Title |
Control of Knock-On Damage for 3D Atomic Scale Quantification of Nanostructures: Making Every Electron Count in Scanning Transmission Electron Microscopy |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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| |
Volume |
122 |
Issue |
6 |
Pages |
066101 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract  |
Understanding nanostructures down to the atomic level is the key to optimizing the design of advancedmaterials with revolutionary novel properties. This requires characterization methods capable of quantifying the three-dimensional (3D) atomic structure with the highest possible precision. A successful approach to reach this goal is to count the number of atoms in each atomic column from 2D annular dark field scanning transmission electron microscopy images. To count atoms with single atom sensitivity, a minimum electron dose has been shown to be necessary, while on the other hand beam damage, induced by the high energy electrons, puts a limit on the tolerable dose. An important challenge is therefore to develop experimental strategies to optimize the electron dose by balancing atom-counting fidelity vs the risk of knock-on damage. To achieve this goal, a statistical framework combined with physics-based modeling of the dose-dependent processes is here proposed and experimentally verified. This model enables an investigator to theoretically predict, in advance of an experimental measurement, the optimal electron dose resulting in an unambiguous quantification of nanostructures in their native state with the highest attainable precision. |
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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 |
000458824200008 |
Publication Date |
2019-02-13 |
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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 |
0031-9007 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.462 |
Times cited |
3 |
Open Access |
OpenAccess |
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Notes |
This project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (Grant Agreement No. 770887). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (WO.010.16N, G.0934.17N, G.0502.18N, G.0267.18N), and a grant to A. D. B. The research leading to these results has received funding from the European Union Seventh Framework Programme under Grant Agreement No. 312483— ESTEEM2 (Integrated Infrastructure Initiative-I3) and the UK EPSRC (Grant No. EP/M010708/1). |
Approved |
Most recent IF: 8.462 |
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| |
Call Number |
EMAT @ emat @UA @ admin @ c:irua:157175 |
Serial |
5156 |
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| Permanent link to this record |
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Author |
Neek-Amal, M.; Rashidi, R.; Nair, R.R.; Neilson, D.; Peeters, F.M. |
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| |
Title |
Electric-field-induced emergent electrical connectivity in graphene oxide |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
99 |
Issue |
11 |
Pages |
115425 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Understanding the appearance of local electrical connectivity in liquid filled layered graphene oxide subjected to an external electric field is important to design electrically controlled smart permeable devices and also to gain insight into the physics behind electrical effects on confined water permeation. Motivated by recent experiments [K. G. Zhou et al. Nature (London) 559, 236 (2018)], we introduce a new model with random percolating paths for electrical connectivity in micron thick water filled layered graphene oxide, which mimics parallel resistors connected across the top and bottom electrodes. We find that a strong nonuniform radial electric field of the order similar to 10-50 mV/nm can be induced between layers depending on the current flow through the formed conducting paths. The maxima of the induced fields are not necessarily close to the electrodes and may be localized in the middle region of the layered material. The emergence of electrical connectivity and the associated electrical effects have a strong influence on the surrounding fluid in terms of ionization and wetting which subsequently determines the permeation properties. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000461960100001 |
Publication Date |
2019-03-19 |
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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 |
3.836 |
Times cited |
3 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:158534 |
Serial |
5206 |
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Author |
McNaughton, B.; Pinto, N.; Perali, A.; Milošević, M.V. |
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Title |
Causes and consequences of ordering and dynamic phases of confined vortex rows in superconducting nanostripes |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Nanomaterials |
Abbreviated Journal |
Nanomaterials-Basel |
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| |
Volume |
12 |
Issue |
22 |
Pages |
4043-18 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Understanding the behaviour of vortices under nanoscale confinement in superconducting circuits is important for the development of superconducting electronics and quantum technologies. Using numerical simulations based on the Ginzburg-Landau theory for non-homogeneous superconductivity in the presence of magnetic fields, we detail how lateral confinement organises vortices in a long superconducting nanostripe, presenting a phase diagram of vortex configurations as a function of the stripe width and magnetic field. We discuss why the average vortex density is reduced and reveal that confinement influences vortex dynamics in the dissipative regime under sourced electrical current, mapping out transitions between asynchronous and synchronous vortex rows crossing the nanostripe as the current is varied. Synchronous crossings are of particular interest, since they cause single-mode modulations in the voltage drop along the stripe in a high (typically GHz to THz) frequency range. |
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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 |
000887683200001 |
Publication Date |
2022-11-18 |
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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 |
2079-4991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.3 |
Times cited |
2 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 5.3 |
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Call Number |
UA @ admin @ c:irua:192731 |
Serial |
7286 |
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Author |
Pandey, T.; Peeters, F.M.; Milošević, M.V. |
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Title |
Pivotal role of magnetic ordering and strain in lattice thermal conductivity of chromium-trihalide monolayers |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
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Volume |
9 |
Issue |
1 |
Pages |
015034 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Understanding the coupling between spin and phonons is critical for controlling the lattice thermal conductivity (kappa ( l )) in magnetic materials, as we demonstrate here for CrX3 (X = Br and I) monolayers. We show that these compounds exhibit large spin-phonon coupling (SPC), dominated by out-of-plane vibrations of Cr atoms, resulting in significantly different phonon dispersions in ferromagnetic (FM) and paramagnetic (PM) phases. Lattice thermal conductivity calculations provide additional evidence for strong SPC, where particularly large kappa ( l ) is found for the FM phase. Most strikingly, PM and FM phases exhibit radically different behavior with tensile strain, where kappa ( l ) increases with strain for the PM phase, and strongly decreases for the FM phase-as we explain through analysis of phonon lifetimes and scattering rates. Taken all together, we uncover the high significance of SPC on the phonon transport in CrX3 monolayers, a result extendable to other 2D magnetic materials, that will be useful in further design of thermal spin devices. |
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Corporate Author |
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Place of Publication |
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Wos |
000735170300001 |
Publication Date |
2021-12-13 |
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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 |
2053-1583 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.5 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 5.5 |
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| |
Call Number |
UA @ admin @ c:irua:184642 |
Serial |
7010 |
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Author |
Han, Y.; Zeng, Y.; Hendrickx, M.; Hadermann, J.; Stephens, P.W.; Zhu, C.; Grams, C.P.; Hemberger, J.; Frank, C.; Li, S.; Wu, M.X.; Retuerto, M.; Croft, M.; Walker, D.; Yao, D.-X.; Greenblatt, M.; Li, M.-R. |
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Title |
Universal a-cation splitting in LiNbO₃-type structure driven by intrapositional multivalent coupling |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Journal Of The American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
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Volume |
142 |
Issue |
15 |
Pages |
7168-7178 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Understanding the electric dipole switching in multiferroic materials requires deep insight of the atomic-scale local structure evolution to reveal the ferroelectric mechanism, which remains unclear and lacks a solid experimental indicator in high-pressure prepared LiNbO3-type polar magnets. Here, we report the discovery of Zn-ion splitting in LiNbO3-type Zn2FeNbO6 established by multiple diffraction techniques. The coexistence of a high-temperature paraelectric-like phase in the polar Zn2FeNbO6 lattice motivated us to revisit other high-pressure prepared LiNbO3-type A(2)BB'O-6 compounds. The A-site atomic splitting (similar to 1.0-1.2 angstrom between the split-atom pair) in B/B'-mixed Zn2FeTaO6 and O/N-mixed ZnTaO2N is verified by both powder X-ray diffraction structural refinements and high angle annular dark field scanning transmission electron microscopy images, but is absent in single-B-site ZnSnO3. Theoretical calculations are in good agreement with experimental results and suggest that this kind of A-site splitting also exists in the B-site mixed Mn-analogues, Mn2FeMO6 (M = Nb, Ta) and anion-mixed MnTaO2N, where the smaller A-site splitting (similar to 0.2 angstrom atomic displacement) is attributed to magnetic interactions and bonding between A and B cations. These findings reveal universal A-site splitting in LiNbO3-type structures with mixed multivalent B/B', or anionic sites, and the splitting-atomic displacement can be strongly suppressed by magnetic interactions and/or hybridization of valence bands between d electrons of the A- and B-site cations. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000526300600046 |
Publication Date |
2020-03-27 |
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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 |
0002-7863 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
15 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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Notes |
; This work was supported by the National Science Foundation of China (NSFC-21875287), the Program for Guangdong Introducing Innovative and Entrepreneurial Teams (2017ZT07C069), and an NSF-DMR-1507252 grant (U.S.). Use of the NSLS, Brookhaven National Laboratory, was supported by the DOE BES (DE-AC02-98CH10886). M.R. is thankful for the Spanish Juan de la Cierva grant FPDI-2013-17582. Y.Z. and D.-X.Y. are supported by NKRDPC-2018YFA0306001, NKRDPC-2017YFA0206203, NSFC-11974432, NSFG-2019A1515011337, the National Supercomputer Center in Guangzhou, and the Leading Talent Program of Guangdong Special Projects. Work on IOP, CAS, was supported by NSFC and MOST grants. A portion of this research at ORNL's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. J.H. and M.H. thank the FWO for support for the electron microscopy studies through grant G035619N. We thank beamline BL14B1 (Shanghai Synchrotron Radiation Facility) for providing beam time and help during the experiments. ; |
Approved |
Most recent IF: 15; 2020 IF: 13.858 |
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Call Number |
UA @ admin @ c:irua:170294 |
Serial |
6646 |
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Author |
Attri, P.; Razzokov, J.; Yusupov, M.; Koga, K.; Shiratani, M.; Bogaerts, A. |
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Title |
Influence of osmolytes and ionic liquids on the Bacteriorhodopsin structure in the absence and presence of oxidative stress: A combined experimental and computational study |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
International Journal Of Biological Macromolecules |
Abbreviated Journal |
Int J Biol Macromol |
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Volume |
148 |
Issue |
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Pages |
657-665 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Understanding the folding and stability of membrane proteins is of great importance in protein science. Recently, osmolytes and ionic liquids (ILs) are increasingly being used as drug delivery systems in the biopharmaceutical industry. However, the stability of membrane proteins in the presence of osmolytes and ILs is not yet fully understood. Besides, the effect of oxidative stress on membrane proteins with osmolytes or ILs has not been investigated. Therefore, we studied the influence of osmolytes and ILs as co-solvents on the stability of a model membrane protein (i.e., Bacteriorhodopsin in purple membrane of Halobacterium salinarum), using UV–Vis spectroscopy and molecular dynamics (MD) simulations. The MD simulations allowed us to determine the flexibility and solvent accessible surface area (SASA) of Bacteriorhodopsin protein in the presence and/or absence of cosolvents, as well as to carry out principal component analysis (PCA) to identify the most important movements in this protein. In addition, by means of UV–Vis spectroscopy we studied the effect of oxidative stress generated by cold atmospheric plasma on the stability of Bacteriorhodopsin in the presence and/or absence of co-solvents. This study is important for a better understanding of the stability of proteins in the presence of oxidative stress. |
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Thesis |
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Place of Publication |
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Language |
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Wos |
000522094600066 |
Publication Date |
2020-01-20 |
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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 |
0141-8130 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.2 |
Times cited |
|
Open Access |
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Notes |
Horizon2020, 743546 ; JSPS, 19H05462 16H03895 ; Nagoya University; We gratefully acknowledge the European Marie Skłodowska-Curie Individual Fellowship “Anticancer-PAM” within Horizon2020 (grant number 743546). This work was also supported by JSPS-KAKENHI 19H05462 and 16H03895, the joint usage/research program of Center for Low-temperature Plasma Science, Nagoya University and also supported by JSPS and RCL under the Japan-Lithuania Research Cooperative Program. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. |
Approved |
Most recent IF: 8.2; 2020 IF: 3.671 |
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Call Number |
PLASMANT @ plasmant @c:irua:165585 |
Serial |
5444 |
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Author |
Neyts, E.; Shibuta, Y.; Bogaerts, A. |
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Title |
Bond switching regimes in nickel and nickel-carbon nanoclusters |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
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Volume |
488 |
Issue |
4/6 |
Pages |
202-205 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Understanding the fundamental dynamics in carbon nanotube (CNT) catalysts is of primary importance to understand CNT nucleation. This Letter reports on calculated bond switching (BS) rates in pure and carbon containing nickel nanoclusters. The rates are analyzed in terms of their temperature dependent spatial distribution and the mobility of the cluster atoms. The BS mechanism is found to change from vibrational to diffusional at around 900 K, with a corresponding strong increase in activation energy. Furthermore, the BS activation energy is observed to decrease as the carbon content in the cluster increases, resulting in an effective liquification of the cluster. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000275751900020 |
Publication Date |
2010-02-15 |
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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 |
0009-2614; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.815 |
Times cited |
20 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.815; 2010 IF: 2.282 |
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Call Number |
UA @ lucian @ c:irua:80998 |
Serial |
248 |
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Author |
Bae, J.; Cichocka, M.O.; Zhang, Y.; Bacsik, Z.; Bals, S.; Zou, X.; Willhammar, T.; Hong, S.B. |
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Title |
Phase transformation behavior of a two-dimensional zeolite |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
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| |
Volume |
58 |
Issue |
30 |
Pages |
10230-10235 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Understanding the molecular-level mechanisms of phase transformation in solids is of fundamental interest for functional materials such as zeolites. Two-dimensional (2D) zeolites, when used as shape-selective catalysts, can offer improved access to the catalytically active sites and a shortened diffusion length in comparison with their 3D analogues. However, few materials are known to maintain both their intralayer microporosity and structure during calcination for organic structure-directing agent (SDA) removal. Herein we report that PST-9, a new 2D zeolite which has been synthesized via the multiple inorganic cation approach and fulfills the requirements for true layered zeolites, can be transformed into the small-pore zeolite EU-12 under its crystallization conditions through the single-layer folding process, but not through the traditional dissolution/recrystallization route. We also show that zeolite crystal growth pathway can differ according to the type of organic SDAs employed. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000476452700030 |
Publication Date |
2019-05-22 |
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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 |
1433-7851; 0570-0833 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
2 |
Open Access |
OpenAccess |
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Notes |
We acknowledge financial support from National Creative Research Initiative Program (2012R1A3A-2048833) through the National Research Foundation of Korea, the National Research Council of Science & Technology (CRC-14-1-KRICT) grant by the Korea government (MSIP), the Swedish Research Council (2017-04321), and the Knut and Alice Wallenberg Foundation (KAW) through the project grant 3DEM-NATUR (2012.0112). T.W. acknowledges an international postdoc grant from the Swedish Research Council (2014-06948). |
Approved |
no |
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Call Number |
UA @ admin @ c:irua:181233 |
Serial |
6878 |
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Author |
Bal, K.M.; Huygh, S.; Bogaerts, A.; Neyts, E.C. |
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Title |
Effect of plasma-induced surface charging on catalytic processes: application to CO2activation |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
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Volume |
27 |
Issue |
2 |
Pages |
024001 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Understanding the nature and effect of the multitude of plasma–surface interactions in plasma catalysis is a crucial requirement for further process development and improvement. A particularly intriguing and rather unique property of a plasma-catalytic setup is the ability of the plasma to modify the electronic structure, and hence chemical properties, of the catalyst through charging, i.e. the absorption of excess electrons. In this work, we develop a quantum chemical model based on density functional theory to study excess negative surface charges in a heterogeneous catalyst exposed to a plasma. This method is specifically applied to investigate plasma-catalytic CO2 activation on supported M/Al2O3 (M=Ti, Ni, Cu) single atom catalysts. We find that (1) the presence of a negative surface charge dramatically improves the reductive power of the catalyst, strongly promoting the splitting of CO2 to CO and oxygen, and (2) the relative activity of the investigated transition metals is also changed upon charging, suggesting that controlled surface charging is a powerful additional parameter to tune catalyst activity and selectivity. These results strongly point to plasma-induced surface charging of the catalyst as an important factor contributing to the plasma-catalyst synergistic effects frequently reported for plasma catalysis. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Language |
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Wos |
000424520100001 |
Publication Date |
2018-02-07 |
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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 |
1361-6595 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.302 |
Times cited |
19 |
Open Access |
OpenAccess |
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| |
Notes |
KMB is funded as PhD fellow (aspirant) of the FWO-Flanders (Research Foundation—Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government— department EWI. |
Approved |
Most recent IF: 3.302 |
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Call Number |
PLASMANT @ plasmant @c:irua:149285 |
Serial |
4813 |
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| Permanent link to this record |
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Author |
Einhäupl, P.; Van Acker, K.; Svensson, N.; Van Passel, S. |
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Title |
Developing stakeholder archetypes for enhanced landfill mining |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Detritus |
Abbreviated Journal |
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Volume |
Volume 08 - December 2019 |
Issue |
Volume 08 - December 2019 |
Pages |
1 |
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Keywords |
A1 Journal article; Engineering Management (ENM) |
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Abstract |
Understanding the perspectives of different stakeholders on emerging technological concepts is an important step towards their implementation. Enhanced Landfill Mining (ELFM) is one of these emerging concepts. It aims at valorizing past waste streams to higher added values in a sustainable manner. Yet, assessment of ELFM mainly focusses on environmental and private economic issues, and societal impacts are rarely analyzed. This study uses semi-structured interviews to build understanding for different ELFM practitioners and researchers and develops five stakeholder archetypes for ELFM implementation: the Engaged Citizen, the Entrepreneur, the Technology Enthusiast, the Visionary and the Skeptic. The archetypes outline major differences in approaching ELFM implementation. The stakeholder perceptions are put into context with existing literature, and implications for ELFM implementation and future research are discussed. Results show that differences in regulatory changes and technology choices are affected by different stakeholder perspectives and more research is needed to balance inner- and inter-dimensional conflicts of ELFM's sustainability. The developed archetypes can especially be helpful when evaluating social impacts, whose perception often depends on opinion and is difficult to quantify. |
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Place of Publication |
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Wos |
000504065300010 |
Publication Date |
2019-12-23 |
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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 |
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ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
; This project has received funding from the European Union's EU Framework Programme for Research and Innovation Horizon 2020 under Grant Agreement No 721185. Part of the research was presented at the 4th International Symposium on Enhanced Landfill Mining 2018 in Mechelen, Belgium. ; |
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:165757 |
Serial |
6179 |
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| Permanent link to this record |
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Author |
Ayalew, E.; Janssens, K.; De Wael, K. |
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Title |
Unraveling the reactivity of minium towards bicarbonate and the role of lead oxides therein |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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| |
Volume |
88 |
Issue |
3 |
Pages |
1564-1569 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Understanding the reactivity of (semiconductor) pigments provides vital information on how to improve conservation strategies for works of art in order to avoid rapid degradation of the pigments. This study focuses on the photoactivity of minium (Pb3O4), a semiconductor pigment, that gives rise to strong discoloration phenomena upon exposure to various environmental conditions. To demonstrate its photoactivity, an electrochemical setup with minium-modified graphite electrode (C|Pb3O4) was used. It is confirmed that minium is a p-type semiconductor which is photoactive during illumination and becomes inactive in the dark. Raman measurements confirm the formation of the degradation products. The photoactivity of a semiconductor pigment is partly defined by the presence of lead oxide (PbO) impurities; these introduce new states in the original band gap. It will be experi-mentally evidenced that the presence of PbO particles in minium leads to an upward shift of the valence band that reduces the band gap. Thus, upon photoexcitation, the electron/hole separation is more easily initialized. The PbO/Pb3O4 composite electrodes demonstrate a higher reductive photocurrent compared to the photocurrent registered at pure PbO or Pb3O4 modified electrodes. Upon exposure to light with energy close to and above the band gap, electrons are excited from the valence band to the conduction band to initialize the reduction of Pb(IV) to Pb(II), resulting in the initial formation of PbO. However in the presence of bicarbonate ions, a significantly higher photoreduction current is recorded since the PbO reacts further to form hydrocerussite. Therefore the presence of bicarbonates in the environment stimulates the photodecomposition process of minium and plays an important role in the degradation process. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000369471100014 |
Publication Date |
2015-12-31 |
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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 |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
6.32 |
Times cited |
9 |
Open Access |
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Notes |
; The authors acknowledge Sanne Aerts from the Laboratory of Adsorption and Catalysis (LADCA) of the University of Antwerp for her help with the UV-vis-DR. Financial support from the SOLARPAINT BOF-GOA project (University of Antwerp Research Council) is acknowledged. The authors are also indebted to F. Vanmeert for performing the XRD measurements. ; |
Approved |
Most recent IF: 6.32 |
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Call Number |
UA @ admin @ c:irua:129963 |
Serial |
5888 |
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| Permanent link to this record |
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Author |
Pedrazo-Tardajos, A.; Arslan Irmak, E.; Kumar, V.; Sánchez-Iglesias, A.; Chen, Q.; Wirix, M.; Freitag, B.; Albrecht, W.; Van Aert, S.; Liz-Marzán, L.M.; Bals, S. |
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Title |
Thermal Activation of Gold Atom Diffusion in Au@Pt Nanorods |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
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Volume |
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Issue |
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Pages |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Understanding the thermal stability of bimetallic nanoparticles is of vital importance to preserve their functionalities during their use in a variety of applications. In contrast to well-studied bimetallic systems such as Au@Ag, heat-induced morphological and compositional changes in Au@Pt nanoparticles are insufficiently understood, even though Au@Pt is an important material for catalysis. To investigate the thermal instability of Au@Pt nanorods at temperatures below their bulk melting point, we combined in situ heating with two- and three-dimensional electron microscopy techniques, including three-dimensional energy-dispersive X-ray spectroscopy. The experimental results were used as input for molecular dynamics simulations, to unravel the mechanisms behind the morphological transformation of Au@Pt core–shell nanorods. We conclude that thermal stability is influenced not only by the degree of coverage of Pt on Au but also by structural details of the Pt shell. |
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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 |
000819246800001 |
Publication Date |
2022-06-10 |
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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 |
1936-0851 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
17.1 |
Times cited |
8 |
Open Access |
OpenAccess |
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Notes |
S.B., S.V.A., L.M.L.-M. and A.P.-T. acknowledge financial support from the European Commission under the Horizon 2020 Programme by grant nos. 731019 (EUSMI) and 823717 (ESTEEM3) and ERC Consolidator grant nos. 815128 (REALNANO) and 770887 (PICOMETRICS). L.M.L.-M. acknowledges funding from MCIN/AEI/10.13039/501100011033 through grants no. PID2020-117779RB-I00 and Maria de Maeztu Unit of Excellence no. MDM-2017-0720. The authors acknowledge the resources and services used for the simulations in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government.; esteem3reported; esteem3JRA |
Approved |
Most recent IF: 17.1 |
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| |
Call Number |
EMAT @ emat @c:irua:188540 |
Serial |
7072 |
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| Permanent link to this record |
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Author |
Tirez, K.; Vanhoof, C.; Bronders, J.; Seuntjens, P.; Bleux, N.; Berghmans, P.; De Brucker, N.; Vanhaecke, F. |
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Title |
Do ICP-MS based methods fulfill the EU monitoring requirements for the determination of elements in our environment? |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Environmental science : processes & impacts |
Abbreviated Journal |
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Volume |
17 |
Issue |
12 |
Pages |
2034-2050 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Undoubtedly, the most important advance in the environmental regulatory monitoring of elements of the last decade is the widespread introduction of ICP-mass spectrometry (ICP-MS) due to standards developed by the European Committee for Standardization. The versatility of ICP-MS units as a tool for the determination of major, minor and trace elements (Al, As, Ba, Ca, Cd, Co, Cr, Cu, Fe, Hg, K, Mg, Mn, Mo, Na, Ni, P, Pb, Sb, Se, Sn, Ti, V and Zn) in surface water, groundwater, river sediment, topsoil, subsoil, fine particulates and atmospheric deposition is illustrated in this paper. Ranges of background concentrations for major, minor and trace elements obtained from a regional case study (Flanders, Belgium) are summarized for all of these environmental compartments and discussed in the context of a harmonized implementation of European regulatory monitoring requirements. The results were derived from monitoring programs in support of EU environmental quality directives and were based on a selection of (non-polluted) background locations. Because of the availability of ICP-MS instruments nowadays, it can be argued that the main hindrance for meeting the European environmental monitoring requirements is no longer the technical feasibility of analysis at these concentration levels, but rather (i) potential contamination during sampling and analysis, (ii) too limited implementation of quality control programs, validating the routinely applied methods (including sampling and low level verification) and (iii) lack of harmonization in reporting of the chemical environmental status between the individual member states. |
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Wos |
000365915600005 |
Publication Date |
2015-10-06 |
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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 |
2050-7887; 2050-7895 |
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 |
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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:130316 |
Serial |
7821 |
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| Permanent link to this record |
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Author |
Tirumalasetty, G.K.; van Huis, M.A.; Kwakernaak, C.; Sietsma, J.; Sloof, W.G.; Zandbergen, H.W. |
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Title |
Deformation-induced austenite grain rotation and transformation in TRIP-assisted steel |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
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Volume |
60 |
Issue |
3 |
Pages |
1311-1321 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Uniaxial straining experiments were performed on a rolled and annealed Si-alloyed TRIP (transformation-induced plasticity) steel sheet in order to assess the role of its microstructure on the mechanical stability of austenite grains with respect to martensitic transformation. The transformation behavior of individual metastable austenite grains was studied both at the surface and inside the bulk of the material using electron back-scattered diffraction (EBSD) and X-ray diffraction (XRD) by deforming the samples to different strain levels up to about 20%. A comparison of the XRD and EBSD results revealed that the retained austenite grains at the surface have a stronger tendency to transform than the austenite grains in the bulk of the material. The deformation-induced changes of individual austenite grains before and after straining were monitored with EBSD. Three different types of austenite grains can be distinguished that have different transformation behaviors: austenite grains at the grain boundaries between ferrite grains, twinned austenite grains, and embedded austenite grains that are completely surrounded by a single ferrite grain. It was found that twinned austenite grains and the austenite grains present at the grain boundaries between larger ferrite grains typically transform first, i.e. are less stable, in contrast to austenite grains that are completely embedded in a larger ferrite grain. In the latter case, straining leads to rotations of the harder austenite grain within the softer ferrite matrix before the austenite transforms into martensite. The analysis suggests that austenite grain rotation behavior is also a significant factor contributing to enhancement of the ductility. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
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Place of Publication |
Oxford |
Editor |
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Wos |
000301157900054 |
Publication Date |
2011-12-19 |
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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 |
1359-6454; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.301 |
Times cited |
80 |
Open Access |
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Notes |
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Approved |
Most recent IF: 5.301; 2012 IF: 3.941 |
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Call Number |
UA @ lucian @ c:irua:97210 |
Serial |
630 |
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Author |
Zarenia, M.; Leenaerts, O.; Partoens, B.; Peeters, F.M. |
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Title |
Substrate-induced chiral states in graphene |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
86 |
Issue |
8 |
Pages |
085451 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Unidirectional chiral states are predicted in single layer graphene which originate from the breaking of the sublattice symmetry due to an asymmetric mass potential. The latter can be created experimentally using boron-nitride (BN) substrates with a line defect (B-B or N-N) that changes the induced mass potential in graphene. Solving the Dirac-Weyl equation, the obtained energy spectrum is compared with the one calculated using ab initio density functional calculations. We found that these one-dimensional chiral states are very robust and they can even exist in the presence of a small gap between the mass regions. In the latter case additional bound states are found that are topologically different from those chiral states. |
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Wos |
000308005600015 |
Publication Date |
2012-08-28 |
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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 |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
41 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), and the European Science Foundation (ESF) under the EUROCORES Program: EuroGRAPHENE (project CONGRAN). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
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Call Number |
UA @ lucian @ c:irua:101100 |
Serial |
3347 |
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Author |
Neyts, E.C.; Thijsse, B.J.; Mees, M.J.; Bal, K.M.; Pourtois, G. |
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Title |
Establishing uniform acceptance in force biased Monte Carlo simulations |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Journal of chemical theory and computation |
Abbreviated Journal |
J Chem Theory Comput |
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Volume |
8 |
Issue |
6 |
Pages |
1865-1869 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Uniform acceptance force biased Monte Carlo (UFMC) simulations have previously been shown to be a powerful tool to simulate atomic scale processes, enabling one to follow the dynamical path during the simulation. In this contribution, we present a simple proof to demonstrate that this uniform acceptance still complies with the condition of detailed balance, on the condition that the characteristic parameter lambda = 1/2 and that the maximum allowed step size is chosen to be sufficiently small. Furthermore, the relation to Metropolis Monte Carlo (MMC) is also established, and it is shown that UFMC reduces to MMC by choosing the characteristic parameter lambda = 0 [Rao, M. et al. Mol. Phys. 1979, 37, 1773]. Finally, a simple example compares the UFMC and MMC methods. |
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Wos |
000305092400002 |
Publication Date |
2012-05-16 |
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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 |
1549-9618;1549-9626; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.245 |
Times cited |
20 |
Open Access |
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Notes |
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Approved |
Most recent IF: 5.245; 2012 IF: 5.389 |
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Call Number |
UA @ lucian @ c:irua:99090 |
Serial |
1082 |
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Author |
Bal, K.M.; Neyts, E.C. |
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Title |
On the time scale associated with Monte Carlo simulations |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
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Volume |
141 |
Issue |
20 |
Pages |
204104 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Uniform-acceptance force-bias Monte Carlo (fbMC) methods have been shown to be a powerful technique to access longer timescales in atomistic simulations allowing, for example, phase transitions and growth. Recently, a new fbMC method, the time-stamped force-bias Monte Carlo (tfMC) method, was derived with inclusion of an estimated effective timescale; this timescale, however, does not seem able to explain some of the successes the method. In this contribution, we therefore explicitly quantify the effective timescale tfMC is able to access for a variety of systems, namely a simple single-particle, one-dimensional model system, the Lennard-Jones liquid, an adatom on the Cu(100) surface, a silicon crystal with point defects and a highly defected graphene sheet, in order to gain new insights into the mechanisms by which tfMC operates. It is found that considerable boosts, up to three orders of magnitude compared to molecular dynamics, can be achieved for solid state systems by lowering of the apparent activation barrier of occurring processes, while not requiring any system-specific input or modifications of the method. We furthermore address the pitfalls of using the method as a replacement or complement of molecular dynamics simulations, its ability to explicitly describe correct dynamics and reaction mechanisms, and the association of timescales to MC simulations in general. |
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Place of Publication |
New York, N.Y. |
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Wos |
000345641400005 |
Publication Date |
2014-11-26 |
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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 |
0021-9606;1089-7690; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.965 |
Times cited |
26 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.965; 2014 IF: 2.952 |
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Call Number |
UA @ lucian @ c:irua:120667 |
Serial |
2459 |
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Author |
Samal, D.; Tan, H.; Takamura, Y.; Siemons, W.; Verbeeck, J.; Van Tendeloo, G.; Arenholz, E.; Jenkins, C.A.; Rijnders, G.; Koster, G. |
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Title |
Direct structural and spectroscopic investigation of ultrathin films of tetragonal CuO: Six-fold coordinated copper |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
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Volume |
105 |
Issue |
1 |
Pages |
17003-17005 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Unlike other 3d transition metal monoxides (MnO, FeO, CoO, and NiO), CuO is found in a low-symmetry distorted monoclinic structure rather than the rocksalt structure. We report here of the growth of ultrathin CuO films on SrTiO3 substrates; scanning transmission electron microscopy was used to show the stabilization of a tetragonal rocksalt structure with an elongated c-axis such that c/a similar to 1.34 and the Cu-O-Cu bond angle similar to 180 degrees, pointing to metastable six-fold coordinated Cu. X-ray absorption spectroscopy demonstrates that the hole at the Cu site for the CuO is localized in 3d(x2-y2) orbital unlike the well-studied monoclinic CuO phase. The experimental confirmation of the tetragonal structure of CuO opens up new avenues to explore electronic and magnetic properties of six-fold coordinated Cu. Copyright (C) EPLA, 2014 |
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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 |
Paris |
Editor |
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Language |
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Wos |
000331197100015 |
Publication Date |
2014-01-30 |
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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 |
0295-5075;1286-4854; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.957 |
Times cited |
15 |
Open Access |
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Notes |
This work was carried out with financial support from the AFOSR and EOARD projects (project No.: FA8655-10-1-3077) and also supported by funding from the European Research Council under the 7th Framework Program (FP7), ERC grant No. 246791 – COUNTATOMS, ERC Starting Grant 278510 VORTEX, Grant No. NMP3-LA-2010-246102 IFOX and an Integrated Infrastructure Initiative, reference No. 312483-ESTEEM2. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. Advanced Light Source is supported by the Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy (DOE) under Contract No. DE-AC02-05CH11231. YT acknowledges support from the National Science Foundation (DMR-0747896). WS was supported by the US DOE, Basic Energy Sciences, Materials Sciences and Engineering Division. ECASJO_; |
Approved |
Most recent IF: 1.957; 2014 IF: 2.095 |
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Call Number |
UA @ lucian @ c:irua:115806UA @ admin @ c:irua:115806 |
Serial |
722 |
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Author |
Hauchecorne, B.; Lenaerts, S. |
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Title |
Unravelling the mysteries of gas phase photocatalytic reaction pathways by studying the catalyst surface : a literature review of different Fourier transform infrared spectroscopic reaction cells used in the field |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Journal of photochemistry and photobiology: C: photochemistry reviews |
Abbreviated Journal |
J Photoch Photobio C |
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Volume |
14 |
Issue |
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Pages |
72-85 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Unlike the profound knowledge of the reaction mechanisms occurring in water phase photocatalysis, still fairly little is known on the reaction mechanisms occurring on the catalyst surface when dealing with gaseous pollutants. Unfortunately, there are some differences between both reactions. For one, there are no abundant hydroxyl radicals present in the gas phase, so that possibly other species prove to be important in abating the pollutant. In order to unravel the mysteries of gas phase photocatalytic reaction pathways, in situ techniques must be used to allow the detection and identification of reaction intermediates on a working catalyst. Several techniques were already used in the past, of which Fourier transform infrared spectroscopy seems to be the most versatile. This review will therefore give a selective overview of different spectroscopic reaction cells constructed for the in situ study of photocatalytic gas phase reactions. |
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Place of Publication |
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Editor |
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| |
Language |
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Wos |
000314669600005 |
Publication Date |
2012-09-28 |
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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 |
1389-5567 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
12.317 |
Times cited |
8 |
Open Access |
|
|
| |
Notes |
; The University of Antwerp is greatly acknowledged for the fellowship granted to Birger Hauchecorne. The authors would also like to thank Sammy W. Verbruggen for his help in providing several papers of interest. ; |
Approved |
Most recent IF: 12.317; 2013 IF: 11.625 |
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| |
Call Number |
UA @ admin @ c:irua:106518 |
Serial |
6001 |
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| Permanent link to this record |
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| |
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Author |
Khalilov, U.; Bogaerts, A.; Xu, B.; Kato, T.; Kaneko, T.; Neyts, E.C. |
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| |
Title |
How the alignment of adsorbed ortho H pairs determines the onset of selective carbon nanotube etching |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
|
| |
Volume |
9 |
Issue |
9 |
Pages |
1653-1661 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
Unlocking the enormous technological potential of carbon nanotubes strongly depends on our ability to specifically produce metallic or semiconducting tubes. While selective etching of both has already been demonstrated, the underlying reasons, however, remain elusive as yet. We here present computational and experimental evidence on the operative mechanisms at the atomic scale. We demonstrate that during the adsorption of H atoms and their coalescence, the adsorbed ortho hydrogen pairs on single-walled carbon nanotubes induce higher shear stresses than axial stresses, leading to the elongation of HC–CH bonds as a function of their alignment with the tube chirality vector, which we denote as the γ-angle. As a result, the C–C cleavage occurs more rapidly in nanotubes containing ortho H-pairs with a small γ-angle. This phenomenon can explain the selective etching of small-diameter semiconductor nanotubes with a similar curvature. Both theoretical and experimental results strongly indicate the important role of the γ-angle in the selective etching mechanisms of carbon nanotubes, in addition to the nanotube curvature and metallicity effects and lead us to clearly understand the onset of selective synthesis/removal of CNT-based materials. |
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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 |
000395422800036 |
Publication Date |
2016-12-19 |
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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 |
|
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| |
ISSN |
2040-3364 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
7.367 |
Times cited |
6 |
Open Access |
OpenAccess |
|
| |
Notes |
U. K. gratefully acknowledges financial support from the Fund of Scientific Research Flanders (FWO), Belgium (Grant No. 12M1315N). This work was also supported in part by Grant-in- Aid for Young Scientists A (Grant No. 25706028), Grant-in-Aid for Scientific Research on Innovative Areas (Grant No. 26107502) from JSPS KAKENHI. This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. The authors also thank Prof. A. C. T. van Duin for sharing the ReaxFF code and J. Razzokov for his assistance to perform the DFT calculations. |
Approved |
Most recent IF: 7.367 |
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| |
Call Number |
PLASMANT @ plasmant @ c:irua:140091 |
Serial |
4417 |
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| Permanent link to this record |
| |
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| |
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Author |
De Meyer, S.; Vanmeert, F.; Vertongen, R.; Van Loon, A.; Gonzalez, V.; Delaney, J.; Dooley, K.; Dik, J.; van der Snickt, G.; Vandivere, A.; Janssens, K. |
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| |
Title |
Macroscopic x-ray powder diffraction imaging reveals Vermeer's discriminating use of lead white pigments in Girl with a Pearl Earring |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Science Advances |
Abbreviated Journal |
|
|
| |
Volume |
5 |
Issue |
8 |
Pages |
eaax1975 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) |
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| |
Abstract |
Until the 19th century, lead white was the most important white pigment used in oil paintings. Lead white is typically composed of two crystalline lead carbonates: hydrocerussite [2PbCO(3)center dot Pb(OH)(2)] and cerussite (PbCO3). Depending on the ratio between hydrocerussite and cerussite, lead white can be classified into different subtypes, each with different optical properties. Current methods to investigate and differentiate between lead white subtypes involve invasive sampling on a microscopic scale, introducing problems of paint damage and representativeness. In this study, a 17th century painting Girl with a Pearl Earring (by Johannes Vermeer, c. 1665, collection of the Mauritshuis, NL) was analyzed with a recently developed mobile and noninvasive macroscopic x-ray powder diffraction (MA-XRPD) scanner within the project Girl in the Spotlight. Four different subtypes of lead white were identified using XRPD imaging at the macroscopic and microscopic scale, implying that Vermeer was highly discriminatory in his use of lead white. |
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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 |
000491121200021 |
Publication Date |
2019-08-30 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
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Series Issue |
|
Edition |
|
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| |
ISSN |
2375-2548 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
3 |
Open Access |
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| |
Notes |
; K.J. wishes to thank the Research Council of the University of Antwerp for financial support through GOA project SolarPaint. Also, FWO, Brussels is acknowledged for financial support through grants G056619N and G054719N. The support of InterReg programme Smart*Light is appreciated. ; |
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:163815 |
Serial |
5700 |
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| Permanent link to this record |
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Author |
Biswas, A.N.; Winter, L.R.; Loenders, B.; Xie, Z.; Bogaerts, A.; Chen, J.G. |
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Title |
Oxygenate Production from Plasma-Activated Reaction of CO2and Ethane |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Acs Energy Letters |
Abbreviated Journal |
Acs Energy Lett |
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| |
Volume |
|
Issue |
|
Pages |
236-241 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
Upgrading ethane with CO2 as a soft oxidant represents a desirable means of obtaining oxygenated hydrocarbons. This reaction is not thermodynamically feasible under mild conditions and has not been previously achieved as a one-step process. Nonthermal plasma was implemented as an alternative means of supplying energy to overcome activation barriers, leading to the production of alcohols, aldehydes, and acids as well as C1−C5+ hydrocarbons under ambient pressure, with a maximum total oxygenate selectivity of 12%. A plasma chemical kinetic computational model was developed and found to be in good agreement with the experimental trends. Results from this study illustrate the potential to use plasma for the direct synthesis of value-added alcohols, acids, and aldehydes from ethane and CO2 under mild conditions. |
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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 |
000732435700001 |
Publication Date |
2021-12-14 |
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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 |
2380-8195 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
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Notes |
Basic Energy Sciences, DE-SC0012704 ; Fonds Wetenschappelijk Onderzoek, S001619N ; H2020 European Research Council, 810182 ; National Science Foundation, DGE 16-44869 ; This research was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Catalysis Science Program (grant no. DE-SC0012704). L.R.W. acknowledges the U.S. National Science Foundation Graduate Research Fellowship Program grant number DGE 16-44869. B.L. and A.B. acknowledge support from the FWO-SBO project PLASMA240 |
Approved |
Most recent IF: NA |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:184812 |
Serial |
6897 |
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| Permanent link to this record |
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Author |
Stefaniak, E.A.; Darchuk, L.; Sapundjiev, D.; Kips, R.; Aregbe, Y.; Van Grieken, R. |
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Title |
New insight into UO2F2 particulate structure by micro-Raman spectroscopy |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Journal of molecular structure |
Abbreviated Journal |
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| |
Volume |
1040 |
Issue |
|
Pages |
206-212 |
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| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
Uranyl fluoride particles produced via hydrolysis of uranium hexafluoride have been deposited on different substrates: polished graphite disks, silver foil, stainless steel and gold-coated silicon wafer, and measured with micro-Raman spectroscopy (MRS). All three metallic substrates enhanced the Raman signal delivered by UO2F2 in comparison to graphite. The fundamental stretching of the UO band appeared at 867 cm−1 in case of the graphite substrate, while in case of the others it was shifted to lower frequencies (down to 839 cm−1). All applied metallic substrates showed the expected effect of Raman signal enhancement; however the gold layer appeared to be most effective. Application of new substrates provides more information on the molecular structure of uranyl fluoride precipitation, which is interesting for nuclear safeguards and nuclear environmental analysis. |
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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 |
000318961000027 |
Publication Date |
2013-02-19 |
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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 |
0022-2860 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
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:107123 |
Serial |
8299 |
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| Permanent link to this record |
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Author |
Horemans, B.; Van Holsbeke, C.; Vos, W.; Darchuk, L.; Novakovic, V.; Fontan, A.C.; de Backer, J.; van Grieken, R.; de Backer, W.; De Wael, K. |
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Title |
Particle deposition in airways of chronic respiratory patients exposed to an urban aerosol |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Environmental science and technology |
Abbreviated Journal |
Environ Sci Technol |
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| |
Volume |
46 |
Issue |
21 |
Pages |
12162-12169 |
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| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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Abstract |
Urban atmospheres in modern cities carry characteristic mixtures of particulate pollution which are potentially aggravating for chronic respiratory patients (CRP). Although air quality surveys can be detailed, the obtained information is not always useful to evaluate human health effects. This paper presents a novel approach to estimate particle deposition rates in airways of CRP, based on real air pollution data. By combining computational fluid dynamics with physical-chemical characteristics of particulate pollution, deposition rates are estimated for particles of different toxicological relevance, that is, minerals, iron oxides, sea salts, ammonium salts, and carbonaceous particles. Also, it enables some qualitative evaluation of the spatial, temporal, and patient specific effects on the particle dose upon exposure to the urban atmosphere. Results show how heavy traffic conditions increases the deposition of anthropogenic particles in the trachea and lungs of respiratory patients (here, +0.28 and +1.5 μg·h1, respectively). In addition, local and synoptic meteorological conditions were found to have a strong effect on the overall dose. However, the pathology and age of the patient was found to be more crucial, with highest deposition rates for toxic particles in adults with a mild anomaly, followed by mild asthmatic children and adults with severe respiratory dysfunctions (7, 5, and 3 μg·h1, respectively). |
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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 |
Easton, Pa |
Editor |
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Language |
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Wos |
000310665000082 |
Publication Date |
2012-10-04 |
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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 |
0013-936X;1520-5851; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
6.198 |
Times cited |
5 |
Open Access |
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Notes |
; We are grateful for the financial support of n.v. Vooruitzicht. Furthermore, co-workers at the environmental analysis research group are acknowledged for their help in the fieldwork. ; |
Approved |
Most recent IF: 6.198; 2012 IF: 5.257 |
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Call Number |
UA @ lucian @ c:irua:101411 |
Serial |
2557 |
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| Permanent link to this record |
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Author |
De Valck, J.; Beames, A.; Liekens, I.; Bettens, M.; Seuntjens, P.; Broekx, S. |
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Title |
Valuing urban ecosystem services in sustainable brownfield redevelopment |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Ecosystem services |
Abbreviated Journal |
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Volume |
35 |
Issue |
|
Pages |
139-149 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Urban environments provide opportunities for greater resource efficiency and the fostering of urban ecosystems. Brownfield areas are a typical example of underused land resources. Brownfield redevelopment projects that include green infrastructure allow for further ecosystems to be accommodated in urban environments. Green infrastructure also deliver important urban ecosystem services (UES) to local residents, which can greatly contribute to improving quality of life in cities. In this case study, we quantify and assess the economic value of five UES for a brownfield redevelopment project in Antwerp, Belgium. The assessment is carried out using the “Nature Value Explorer” modelling tool. The case includes three types of green infrastructure (green corridor, infiltration gullies and green roofs) primarily intended to connect nature reserves on the urban periphery and to avoid surface runoff. The green infrastructure also provides air filtration, climate regulation, carbon sequestration and recreation ecosystem services. The value of recreation far exceeds other values, including the value of avoided runoff. The case study raises crucial questions as to whether existing UES valuation approaches adequately account for the range of UES provided and whether such approaches can be improved to achieve more accurate and reliable value estimates in future analyses. |
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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 |
000457119300016 |
Publication Date |
2018-12-18 |
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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 |
2212-0416 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
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:157539 |
Serial |
8733 |
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| Permanent link to this record |
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Author |
Hofman, J.; Samson, R.; Joosen, S.; Blust, R.; Lenaerts, S. |
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Title |
Cyclist exposure to black carbon, ultrafine particles and heavy metals : an experimental study along two commuting routes near Antwerp, Belgium |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Environmental research |
Abbreviated Journal |
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| |
Volume |
164 |
Issue |
164 |
Pages |
530-538 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Urban environments typically exhibit large atmospheric pollution variation, in both space and time. In contrast to traditional monitoring networks suffering from a limited spatial coverage, mobile platforms enable personalized high-resolution monitoring, providing valuable insights into personal atmospheric pollution exposure, and the identification of potential pollution hotspots. This study evaluated personal cyclist exposure to UFPs, BC and heavy metals whilst commuting near Antwerp, Belgium, by performing mobile measurements with wearable black carbon (BC) and ultrafine particle (UFP) instruments. Loaded micro-aethalometer filterstrips were chemically analysed and the inhaled pollutant dose determined from the exhibited heart rate. Considerable spatial pollutant variation was observed along the travelled routes, with distinct contributions from spatial factors (e.g. traffic intersections, urban park and market) and temporary events. On average 300% higher BC, 20% higher UFP and changing elemental concentrations are observed along the road traffic route (RT), when compared to the bicycle highway route (BH). Although the overall background pollution determines a large portion of the experienced personal exposure (in this case 53% for BC and 40% for UFP), cyclists can influence their personal atmospheric pollution exposure, by selecting less exposed commuting routes. Our results, hereby, strengthen the body of evidence in favour of further policy investments in isolated bicycle infrastructure. |
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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 |
000431387100063 |
Publication Date |
2018-04-06 |
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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 |
|
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
9 |
Open Access |
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Notes |
; The authors would like to acknowledge the Flanders Environment Agency (VMM) for granting access to the 42R817 monitoring station and provision of telemetric pollutant and meteorological data. The corresponding author acknowledges the Research Foundation Flanders (FWO) for his postdoctoral research grant (12I4816N). ; |
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:150540 |
Serial |
5939 |
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| Permanent link to this record |
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Author |
Castanheiro, A.; Samson, R.; De Wael, K. |
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Title |
Magnetic- and particle-based techniques to investigate metal deposition on urban green |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
The science of the total environment |
Abbreviated Journal |
Sci Total Environ |
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Volume |
571 |
Issue |
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Pages |
594-602 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Urban green works as a recorder of atmospheric PM. This paper reports on the utility of combining magnetic- and particle-based techniques to investigate PM leaf deposition as a bio-indicator of metal pollution. Ivy (Hedera helix) leaves were collected from five different land use classes, i.e. forest, rural, roadside, industrial, train. Leaf magnetic measurements were done in terms of saturation isothermal remanent magnetization (leaf SIRM), while ca. 40,000 leaf-deposited particles were analyzed through SEM/EDX to estimate the elemental composition. The influence of the different land use classes was registered both magnetically and in terms of metal content. Leaf area-normalized SIRM values ranged from 19.9 to 444.0 μA, in the following order forest < rural < roadside < industrial < train. Leaf SIRM showed to be significantly correlated (p < 0.01) with the content in Fe, Zn, and Pb, followed by Mn and Cd (p < 0.05), while no significant correlation was found with the metals Cr and Cu. Although presenting a similar metal content, roadside and train were magnetically very distinct. By exhibiting a very high content in Pb, and with an Fe content being comparable to the one observed at the forest and rural land uses, the industrial leaf-deposited particles showed to be mainly due to industrial activity. While SEM/EDX is a suitable approach for detailed particle analysis, leaf SIRM of ivy can be used as a rapid discriminatory tool for metal pollution. Their complementary use delivers further knowledge on land use classes reflecting different PM conditions and/or sources. |
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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 |
000383930400059 |
Publication Date |
2016-07-16 |
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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 |
0048-9697 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.9 |
Times cited |
17 |
Open Access |
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Notes |
; This research was supported by a PhD grant of the Research Foundation Flanders (FWO). The authors thank W. Dorrine for his help and supervision on operating the SEM, and G. Nuyts and K Wuyts for their valuable comments on data treatment The authors also acknowledge the three anonymous reviewers for their constructive comments, which helped to improve the manuscript. ; |
Approved |
Most recent IF: 4.9 |
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Call Number |
UA @ admin @ c:irua:134845 |
Serial |
5703 |
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| Permanent link to this record |
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Author |
Tang, T.; Boenne, W.; Desmet, N.; Seuntjens, P.; Bronders, J.; van Griensven, A. |
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Title |
Quantification and characterization of glyphosate use and loss in a residential area |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
The science of the total environment |
Abbreviated Journal |
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| |
Volume |
517 |
Issue |
|
Pages |
207-214 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Urban runoff can be a significant source of pesticides in urban streams. However, quantification of this source has been difficult because pesticide use by urban residents (e.g., on pavements or in gardens) is often unknown, particularly at the scale of a residential catchment. Proper quantification and characterization of pesticide loss via urban runoff require sound information on the use and occurrence of pesticides at hydrologically-relevant spatial scales, involving various hydrological conditions. We conducted a monitoring study in a residential area (9.5 ha, Flanders, Belgium) to investigate the use and loss of a widely-used herbicide (glyphosate) and its major degradation product (aminomethylphosphonic acid, AMPA). The study covered 13 rainfall events over 67 days. Overall, less than 0.5% of glyphosate applied was recovered from the storm drain outflow in the catchment. Maximum detected concentrations were 6.1 mu g/L and 5.8 mu g/L for glyphosate and AMPA, respectively, both of which are below the predicted no-effect concentration for surface water proposed by the Flemish environmental agency (10 mu g/L), but are above the EU drinking water standard (0.1 mu g/L). The measured concentrations and percentage loss rates can be attributed partially to the strong sorption capacity of glyphosate and low runoff potential in the study area. However, glyphosate loss varied considerably among rainfall events and event load of glyphosate mass was mainly controlled by rainfall amount, according to further statistical analyses. To obtain urban pesticide management insights, robust tools are required to investigate the loss and occurrence of pesticides influenced by various factors, particularly the hydrological and spatial factors. (C) 2015 Elsevier B.V. All rights reserved. |
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Corporate Author |
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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 |
000352663800020 |
Publication Date |
2015-02-27 |
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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 |
0048-9697; 1879-1026 |
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 |
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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:125992 |
Serial |
8431 |
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Author |
Coppens, J.; Lindeboom, R.; Muys, M.; Coessens, W.; Alloul, A.; Meerbergen, K.; Lievens, B.; Clauwaert, P.; Boon, N.; Vlaeminck, S.E. |
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Title |
Nitrification and microalgae cultivation for two-stage biological nutrient valorization from source separated urine |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Bioresource technology |
Abbreviated Journal |
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Volume |
211 |
Issue |
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Pages |
41-50 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Urine contains the majority of nutrients in urban wastewaters and is an ideal nutrient recovery target. In this study, stabilization of real undiluted urine through nitrification and subsequent microalgae cultivation were explored as strategy for biological nutrient recovery. A nitrifying inoculum screening revealed a commercial aquaculture inoculum to have the highest halotolerance. This inoculum was compared with municipal activated sludge for the start-up of two nitrification membrane bioreactors. Complete nitrification of undiluted urine was achieved in both systems at a conductivity of 75 mS cm−1 and loading rate above 450 mg N L−1 d−1. The halotolerant inoculum shortened the start-up time with 54%. Nitrite oxidizers showed faster salt adaptation and Nitrobacter spp. became the dominant nitrite oxidizers. Nitrified urine as growth medium for Arthrospira platensis demonstrated superior growth compared to untreated urine and resulted in a high protein content of 62%. This two-stage strategy is therefore a promising approach for biological nutrient recovery. |
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Place of Publication |
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Wos |
000375186700006 |
Publication Date |
2016-03-06 |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0960-8524 |
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 |
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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:139913 |
Serial |
8307 |
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| Permanent link to this record |
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Author |
Ilgrande, C.; Defoirdt, T.; Vlaeminck, S.E.; Boon, N.; Clauwaert, P. |
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Title |
Media optimization, strain compatibility, and low-shear modeled microgravity exposure of synthetic microbial communities for urine nitrification in regenerative life-support systems |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Astrobiology |
Abbreviated Journal |
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Volume |
19 |
Issue |
11 |
Pages |
1353-1362 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Urine is a major waste product of human metabolism and contains essential macro- and micronutrients to produce edible microorganisms and crops. Its biological conversion into a stable form can be obtained through urea hydrolysis, subsequent nitrification, and organics removal, to recover a nitrate-enriched stream, free of oxygen demand. In this study, the utilization of a microbial community for urine nitrification was optimized with the focus for space application. To assess the role of selected parameters that can impact ureolysis in urine, the activity of six ureolytic heterotrophs (Acidovorax delafieldii, Comamonas testosteroni, Cupriavidus necator, Delftia acidovorans, Pseudomonas fluorescens, and Vibrio campbellii) was tested at different salinities, urea, and amino acid concentrations. The interaction of the ureolytic heterotrophs with a nitrifying consortium (Nitrosomonas europaea ATCC 19718 and Nitrobacter winogradskyi ATCC 25931) was also tested. Lastly, microgravity was simulated in a clinostat utilizing hardware for in-flight experiments with active microbial cultures. The results indicate salt inhibition of the ureolysis at 30 mS cm(-1), while amino acid nitrogen inhibits ureolysis in a strain-dependent manner. The combination of the nitrifiers with C. necator and V. campbellii resulted in a complete halt of the urea hydrolysis process, while in the case of A. delafieldii incomplete nitrification was observed, and nitrite was not oxidized further to nitrate. Nitrate production was confirmed in all the other communities; however, the other heterotrophic strains most likely induced oxygen competition in the test setup, and nitrite accumulation was observed. Samples exposed to low-shear modeled microgravity through clinorotation behaved similarly to the static controls. Overall, nitrate production from urea was successfully demonstrated with synthetic microbial communities under terrestrial and simulated space gravity conditions, corroborating the application of this process in space. |
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Wos |
000492817700004 |
Publication Date |
2019-10-28 |
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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 |
1557-8070; 1531-1074 |
ISBN |
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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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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:164663 |
Serial |
8215 |
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| Permanent link to this record |
