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Author |
Wang, Y.; Sztranyovszky, Z.; Zilli, A.; Albrecht, W.; Bals, S.; Borri, P.; Langbein, W. |
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Title |
Quantitatively linking morphology and optical response of individual silver nanohedra |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
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Volume |
14 |
Issue |
30 |
Pages |
11028-11037 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The optical response of metal nanoparticles is governed by plasmonic resonances, which are dictated by the particle morphology. A thorough understanding of the link between morphology and optical response requires quantitatively measuring optical and structural properties of the same particle. Here we present such a study, correlating electron tomography and optical micro-spectroscopy. The optical measurements determine the scattering and absorption cross-section spectra in absolute units, and electron tomography determines the 3D morphology. Numerical simulations of the spectra for the individual particle geometry, and the specific optical set-up used, allow for a quantitative comparison including the cross-section magnitude. Silver nanoparticles produced by photochemically driven colloidal synthesis, including decahedra, tetrahedra and bi-tetrahedra are investigated. A mismatch of measured and simulated spectra is found in some cases when assuming pure silver particles, which is explained by the presence of a few atomic layers of tarnish on the surface, not evident in electron tomography. The presented method tightens the link between particle morphology and optical response, supporting the predictive design of plasmonic nanomaterials. |
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Wos |
000828704000001 |
Publication Date |
2022-07-15 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
2040-3364; 2040-3372 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.7 |
Times cited |
1 |
Open Access |
OpenAccess |
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Notes |
Z.S. acknowledges the UK Engineering and Physical Sciences Research Council (EPSRC) for his Ph.D. studentship award (grant EP/R513003/1). Y.W. acknowledges Iwan Moreels (University of Ghent) for training in nanoparticle synthesis. Y.W. acknowledges the Biotechnology and Biological Sciences Research Council (BBSRC) for his Ph.D. studentship award (grant BB/L015889/1). This work was supported by the UK EPSRC (grants EP/I005072/1 and EP/M028313/1), and by the European Commission (EUSMI E191000350). W.A. acknowledges an Individual Fellowship from the Marie Skodowska-Curie actions (MSCA) under the EU's Horizon 2020 program (Grant 797153, SOPMEN). We thank Lukas Payne and Iestyn Pope for contributions to the development of the hardware and software used for the optical measurements. |
Approved |
Most recent IF: 6.7 |
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Call Number |
UA @ admin @ c:irua:189578 |
Serial |
7092 |
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Permanent link to this record |
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Author |
Dobrota, A.S.; Vlahovic, J.; V. Skorodumova, N.; Pasti, I.A. |
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Title |
First-principles analysis of aluminium interaction with nitrogen-doped graphene nanoribbons – from adatom bonding to various |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Materials Today Communications |
Abbreviated Journal |
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Volume |
31 |
Issue |
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Pages |
103388-10 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Enhancing aluminium interaction with graphene-based materials is of crucial importance for the development of Al-storage materials and novel functional materials via atomically precise doping. Here, DFT calculations are employed to investigate Al interactions with non-doped and N-doped graphene nanoribbons (GNRs) and address the impact of the edge sites and N-containing defects on the material's reactivity towards Al. The presence of edges does not influence the energetics of Al adsorption significantly (compared to pristine graphene sheet). On the other hand, N-doping of graphene nanoribbons is found to affect the adsorption energy of Al to an extent that strongly depends on the type of N-containing defect. The introduction of edge-NO group and doping with in -plane pyridinic N result in Al adsorption nearly twice as strong as on pristine graphene. Moreover, double n-type doping via N and Al significantly alters the electronic structure of Al,N-containing GNRs. Our results suggest that selectively doped GNRs with pyridinic N can have enhanced Al-storage capacity and could be potentially used for selective Al electrosorption and removal. On the other hand, Al,N-containing GNRs with pyridinic N could also be used in resistive sensors for mechanical deformation. Namely, strain along the longitudinal axis of these dual doped GNRs does not affect the binding of Al but tunes the bandgap and causes more than 700-fold change in the conductivity. Thus, careful defect engineering and selective doping of GNRs with N (and Al) could lead to novel multifunctional materials with exceptional properties. [GRAPHICS] |
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Wos |
000820987400002 |
Publication Date |
2022-03-15 |
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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 |
2352-4928 |
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Additional Links |
UA library record; WoS full record |
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Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:189563 |
Serial |
7163 |
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Permanent link to this record |
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Author |
Poulain, R.; Lumbeeck, G.; Hunka, J.; Proost, J.; Savolainen, H.; Idrissi, H.; Schryvers, D.; Gauquelin, N.; Klein, A. |
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Title |
Electronic and chemical properties of nickel oxide thin films and the intrinsic defects compensation mechanism |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
ACS applied electronic materials |
Abbreviated Journal |
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Volume |
4 |
Issue |
6 |
Pages |
2718-2728 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Although largely studied, contradictory results on nickel oxide (NiO) properties can be found in the literature. We herein propose a comprehensive study that aims at leveling contradictions related to NiO materials with a focus on its conductivity, surface properties, and the intrinsic charge defects compensation mechanism with regards to the conditions preparation. The experiments were performed by in situ photo-electron spectroscopy, electron energy loss spectroscopy, and optical as well as electrical measurements on polycrystalline NiO thin films prepared under various preparation conditions by reactive sputtering. The results show that surface and bulk properties were strongly related to the deposition temperature with in particular the observation of Fermi level pinning, high work function, and unstable oxygen-rich grain boundaries for the thin films produced at room temperature but not at high temperature (>200 degrees C). Finally, this study provides substantial information about surface and bulk NiO properties enabling to unveil the origin of the high electrical conductivity of room temperature NiO thin films and also for supporting a general electronic charge compensation mechanism of intrinsic defects according to the deposition temperature. |
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Wos |
000819431200001 |
Publication Date |
2022-06-07 |
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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 |
2637-6113 |
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 |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:189555 |
Serial |
7081 |
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Permanent link to this record |
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Author |
Filez, M.; Feng, J.-Y.; Minjauw, M.M.; Solano, E.; Poonkottil, N.; Van Daele, M.; Ramachandran, R.K.; Li, C.; Bals, S.; Poelman, H.; Detavernier, C.; Dendooven, J.; Filez, M.; Minjauw, M.; Solano, E.; Poonkottil, N.; Li, C.; Bals, S.; Dendooven, J. |
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Title |
Shuffling atomic layer deposition gas sequences to modulate bimetallic thin films and nanoparticle properties |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Chemistry of materials |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Atomic layer deposition (ALD) typically employs metal precursors and co-reactant pulses to deposit thin films in a layer-by-layer fashion. While conventional ABAB-type ALD sequences implement only two functionalities, namely, a metal source and ligand exchange agent, additional functionalities have emerged, including etching and reduction agents. Herein, we construct gas-phase sequences-coined as ALD+-with complex-ities reaching beyond the classic ABAB-type ALD by freely combining multiple functionalities within irregular pulse schemes, e.g., ABCADC. The possibilities of such combinations are explored as a smart strategy to tailor bimetallic thin films and nanoparticle (NP) properties. By doing so, we demonstrate that bimetallic thin films can be tailored with target thickness and through the full compositional range, while the morphology can be flexibly modulated from thin films to NPs by shuI 1ing the pulse sequence. These complex pulse schemes are expected to be broadly applicable but are here explored for Pd-Ru bimetallic thin films and NPs. |
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Wos |
000823205700001 |
Publication Date |
2022-06-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756; 1520-5002 |
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 |
2 |
Open Access |
OpenAccess |
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Notes |
This research was funded by the Research Foundation, Flanders (FWO) , and the Special Research Fund BOF of Ghent University (GOA 01G01019) . M.F. and M.M.M. acknowledge the FWO for a postdoctoral research fellowship (1280621N) . N.P. acknowledges the European Union's Horizon 2020 research and innovation program under the Marie Skiodowska-Curie grant agreement no. 765378. For the GISAXS measurements, the author s received funding from the European Community's Transnational Access Program CALIPSOplus. E.S. acknowledges the Spanish project RTI2018-093996-B-C32 MICINN/FEDER funds. Air Liquide is acknowledged for supporting this research. The authors acknowledge SOLEIL for the provision of synchrotron radiation facilities and would like to thank Dr. Alessandro Coati for assistance in using beamline SiXS. The GIWAXS experiments were performed at NCD-SWEET beamline at ALBA Synchrotron with the collaboration of ALBA staff . |
Approved |
no |
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Call Number |
UA @ admin @ c:irua:189541 |
Serial |
8928 |
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Permanent link to this record |
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Author |
Moura, V.N.; Dantas, D.S.; Farias, G.A.; Chaves, A.; Milošević, M.V. |
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Title |
Latent superconductivity at parallel interfaces in a superlattice dominated by another collective quantum phase |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
106 |
Issue |
1 |
Pages |
014516-10 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We theoretically examine behavior of superconductivity at parallel interfaces separating the domains of another dominant collective excitation, such as charge density waves or spin density waves. Due to their competitive coupling in a two-component Ginzburg-Landau model, suppression of the dominant order parameter at the interfacial planes allows for nucleation of the (hidden) superconducting order parameter at those planes. In such a case, we demonstrate how the number of the parallel interfacial planes and the distance between them are linked to the number and the size of the emerging superconducting gaps in the system, as well as the versatility and temperature evolution of the possible superconducting phases. These findings bear relevance to a broad selection of known layered superconducting materials, as well as to further design of artificial (e.g., oxide) superlattices, where the interplay between competing order parameters paves the way towards otherwise unattainable superconducting states, some with enhanced superconducting critical temperature. |
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Wos |
000834346000004 |
Publication Date |
2022-07-22 |
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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 |
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Impact Factor |
3.7 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.7 |
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Call Number |
UA @ admin @ c:irua:189520 |
Serial |
7179 |
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Permanent link to this record |
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Author |
Alloul, A.; Van Kampen, W.; Cerruti, M.; Wittouck, S.; Pabst, M.; Weissbrodt, D.G. |
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Title |
Exploring the role of antimicrobials in the selective growth of purple phototrophic bacteria through genome mining and agar spot assays |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Letters in applied microbiology |
Abbreviated Journal |
Lett Appl Microbiol |
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Volume |
75 |
Issue |
5 |
Pages |
1275-1285 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Purple non-sulphur bacteria (PNSB) are an emerging group of microbes attractive for applied microbiology applications such as wastewater treatment, plant biostimulants, microbial protein, polyhydroxyalkanoates and H-2 production. These photoorganoheterotrophic microbes have the unique ability to grow selectively on organic carbon in anaerobic photobioreactors. This so-called selectivity implies that the microbial community will have a low diversity and a high abundance of a particular PNSB species. Recently, it has been shown that certain PNSB strains can produce antimicrobials, yet it remains unclear whether these contribute to competitive inhibition. This research aimed to understand which type of antimicrobial PNSB produce and identify whether these compounds contribute to their selective growth. Mining 166 publicly-available PNSB genomes using the computational tool BAGEL showed that 59% contained antimicrobial encoding regions, more specifically biosynthetic clusters of bacteriocins and non-ribosomal peptide synthetases. Inter- and intra-species inhibition was observed in agar spot assays for Rhodobacter blasticus EBR2 and Rhodopseudomonas palustris EBE1 with inhibition zones of, respectively, 5.1 and 1.5-5.7 mm. Peptidomic analysis detected a peptide fragment in the supernatant (SVLQLLR) that had a 100% percentage identity match with a known non-ribosomal peptide synthetase with antimicrobial activity. |
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Wos |
000837055500001 |
Publication Date |
2022-07-29 |
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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 |
0266-8254 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.4 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.4 |
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Call Number |
UA @ admin @ c:irua:189519 |
Serial |
7162 |
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Permanent link to this record |
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Author |
Shafiei, M.; Fazileh, F.; Peeters, F.M.; Milošević, M.V. |
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Title |
Controlling the hybridization gap and transport in a thin-film topological insulator : effect of strain, and electric and magnetic field |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
106 |
Issue |
3 |
Pages |
035119-7 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In a thin-film topological insulator (TI), the edge states on two surfaces may couple by quantum tunneling, opening a gap known as the hybridization gap. Controlling the hybridization gap and transport has a variety of potential uses in photodetection and energy-harvesting applications. In this paper, we report the effect of strain, and electric and magnetic field, on the hybridization gap and transport in a thin Bi2Se3 film, investigated within the tight-binding theoretical framework. We demonstrate that vertical compression decreases the hybridization gap, as does tensile in-plane strain. Applying an electric field breaks the inversion symmetry and leads to a Rashba-like spin splitting proportional to the electric field, hence closing and reopening the gap. The influence of a magnetic field on thin-film TI is also discussed, starting from the role of an out-of-plane magnetic field on quantum Hall states. We further demonstrate that the hybridization gap can be controlled by an in-plane magnetic field, and that by applying a sufficiently strong field a quantum phase transition from an insulator to a semimetal can be achieved. |
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Place of Publication |
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Wos |
000832277500001 |
Publication Date |
2022-07-13 |
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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 |
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 |
3.7 |
Times cited |
7 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 3.7 |
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Call Number |
UA @ admin @ c:irua:189515 |
Serial |
7140 |
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Permanent link to this record |
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Author |
Van Schoubroeck, S.; Vermeyen, V.; Alaerts, L.; Van Acker, K.; Van Passel, S. |
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Title |
How to monitor the progress towards a circular food economy : a Delphi study |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Sustainable Production and Consumption |
Abbreviated Journal |
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Volume |
32 |
Issue |
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Pages |
457-467 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
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Abstract |
Within the food sector, the implementation of a circular economy (CE) can reduce resource consumption and emissions to the environment by moving away from a linear and unsustainable system. This necessitates a clear vision on what circularity for food means, which will provide a much-needed foundation to develop a mon-itoring tool that reveals insights into the progress being made towards a CE, and to expose the bottlenecks and opportunities. This research study contributes to the development of a shared vision for circularity within the food system, and defines and prioritizes a set of indicator themes to monitor a circular food economy (CFE). A two-round Delphi study was performed, including a brainstorming session with experts and the construction of a consensus ranking of indicator themes, considering the production and processing and the consumption stage. The Delphi results provide a shared vision on a CFE, and a blueprint for researchers and policy-makers on its monitoring, which will stimulate the progression from a linear to a circular system.(c) 2022 Published by Elsevier Ltd on behalf of Institution of Chemical Engineers. |
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Wos |
000806368300009 |
Publication Date |
2022-05-07 |
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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 |
2352-5509 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.1 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 12.1 |
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Call Number |
UA @ admin @ c:irua:189513 |
Serial |
7360 |
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Permanent link to this record |
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Author |
Abedi, S.; Sisakht, E.T.; Hashemifar, S.J.; Cherati, N.G.; Sarsari, I.A.; Peeters, F.M. |
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Title |
Prediction of novel two-dimensional Dirac nodal line semimetals in Al₂B₂ and AlB₄ monolayers |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
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Volume |
14 |
Issue |
31 |
Pages |
11270-11283 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Topological semimetal phases in two-dimensional (2D) materials have gained widespread interest due to their potential applications in novel nanoscale devices. Despite the growing number of studies on 2D topological nodal lines (NLs), candidates with significant topological features that combine nontrivial topological semimetal phase with superconductivity are still rare. Herein, we predict Al2B2 and AlB4 monolayers as new 2D nonmagnetic Dirac nodal line semimetals with several novel features. Our extensive electronic structure calculations combined with analytical studies reveal that, in addition to multiple Dirac points, these 2D configurations host various highly dispersed NLs around the Fermi level, all of which are semimetal states protected by time-reversal and in-plane mirror symmetries. The most intriguing NL in Al2B2 encloses the K point and crosses the Fermi level, showing a considerable dispersion and thus providing a fresh playground to explore exotic properties in dispersive Dirac nodal lines. More strikingly, for the AlB4 monolayer, we provide the first evidence for a set of 2D nonmagnetic open type-II NLs coexisting with superconductivity at a rather high transition temperature. The coexistence of superconductivity and nontrivial band topology in AlB4 not only makes it a promising material to exhibit novel topological superconducting phases, but also a rather large energy dispersion of type-II nodal lines in this configuration may offer a platform for the realization of novel topological features in the 2D limit. |
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Wos |
000831003900001 |
Publication Date |
2022-06-20 |
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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 |
2040-3364; 2040-3372 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
6.7 |
Times cited |
5 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 6.7 |
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Call Number |
UA @ admin @ c:irua:189505 |
Serial |
7196 |
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Permanent link to this record |
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Author |
Shafiei, M.; Fazileh, F.; Peeters, F.M.; Milošević, M.V. |
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Title |
Axion insulator states in a topological insulator proximitized to magnetic insulators : a tight-binding characterization |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Physical review materials |
Abbreviated Journal |
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Volume |
6 |
Issue |
7 |
Pages |
074205-74208 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The recent discovery of axion states in materials such as antiferromagnetic topological insulators has boosted investigations of the magnetoelectric response in topological insulators and their promise towards realizing dissipationless topological electronics. In this paper, we develop a tight-binding methodology to explore the emergence of axion states in Bi2Se3 in proximity to magnetic insulators on the top and bottom surfaces. The topological protection of the surface states is lifted by a time-reversal-breaking perturbation due to the proximity of a magnetic insulator, and a gap is opened on the surfaces, giving rise to half-quantized Hall conductance and a zero Hall plateau-evidencing an axion insulator state. We developed a real-space tight-binding Hamiltonian for Bi2Se3 using first-principles data. Transport properties of the system were obtained within the Landauer-Buttiker formalism, and we discuss the creation of axion states through Hall conductance and a zero Hall plateau at the surfaces, as a function of proximitized magnetization and corresponding potentials at the surfaces, as well as the thickness of the topological insulator. |
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Place of Publication |
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Wos |
000832387000006 |
Publication Date |
2022-07-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.4 |
Times cited |
4 |
Open Access |
OpenAccess |
|
|
Notes |
|
Approved |
Most recent IF: 3.4 |
|
|
Call Number |
UA @ admin @ c:irua:189498 |
Serial |
7130 |
|
Permanent link to this record |
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|
|
Author |
Achari, A.; Bekaert, J.; Sreepal, V.; Orekhov, A.; Kumaravadivel, P.; Kim, M.; Gauquelin, N.; Pillai, P.B.; Verbeeck, J.; Peeters, F.M.; Geim, A.K.; Milošević, M.V.; Nair, R.R. |
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Title |
Alternating superconducting and charge density wave monolayers within bulk 6R-TaS₂ |
Type |
A1 Journal article |
|
Year |
2022 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
|
|
Volume |
22 |
Issue |
15 |
Pages |
6268-6275 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
|
|
Abstract |
Van der Waals (vdW) heterostructures continue to attract intense interest as a route of designing materials with novel properties that cannot be found in nature. Unfortunately, this approach is currently limited to only a few layers that can be stacked on top of each other. Here, we report a bulk vdW material consisting of superconducting 1H TaS2 monolayers interlayered with 1T TaS2 monolayers displaying charge density waves (CDW). This bulk vdW heterostructure is created by phase transition of 1T-TaS2 to 6R at 800 degrees C in an inert atmosphere. Its superconducting transition (T-c) is found at 2.6 K, exceeding the T-c of the bulk 2H phase. Using first-principles calculations, we argue that the coexistence of superconductivity and CDW within 6R-TaS2 stems from amalgamation of the properties of adjacent 1H and 1T monolayers, where the former dominates the superconducting state and the latter the CDW behavior. |
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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 |
|
Wos |
000831832100001 |
Publication Date |
2022-07-20 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1530-6984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
10.8 |
Times cited |
12 |
Open Access |
OpenAccess |
|
|
Notes |
This work was supported by the Royal Society, the Leverhulme Trust (PLP-2018-220), the Engineering and Physical Sciences Research Council (EP/N005082/1), and European Research Council (contract 679689). The authors acknowledge the use of the facilities at the Henry Royce Institute and associated support services. J.B. is a postdoctoral fellow of Research Foundation-Flanders (FWO-Vlaanderen). Computational resources were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Governmentdepartment EWI. This work was also performed under a transnational access provision funded by the European Union under the Horizon 2020 programme within a contract for Integrating Activities for Advanced Communities No 823717 − ESTEEM3; esteem3reported; esteem3jra |
Approved |
Most recent IF: 10.8 |
|
|
Call Number |
UA @ admin @ c:irua:189495 |
Serial |
7077 |
|
Permanent link to this record |
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Author |
Maes, R.R.; Potters, G.; Fransen, E.; Van Schaeren, R.; Lenaerts, S. |
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Title |
Influence of adding low concentration of oxygenates in mineral diesel oil and biodiesel on the concentration of NO, NO₂ and particulate matter in the exhaust gas of a one-cylinder diesel generator |
Type |
A1 Journal article |
|
Year |
2022 |
Publication |
International journal of environmental research and public health |
Abbreviated Journal |
|
|
|
Volume |
19 |
Issue |
13 |
Pages |
7637-18 |
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|
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
|
|
Abstract |
Air quality currently poses a major risk to human health worldwide. Transportation is one of the principal contributors to air pollution due to the quality of exhaust gases. For example, the widely used diesel fuel is a significant source of nitrogen oxides (NOx) and particulate matter (PM). To reduce the content NOx and PM, different oxygenated compounds were mixed into a mineral diesel available at the pump, and their effect on the composition of exhaust gas emissions was measured using a one-cylinder diesel generator. In this setup, adding methanol gave the best relative results. The addition of 2000 ppm of methanol decreased the content of NO by 56%, 2000 ppm of isopropanol decreased NO2 by 50%, and 2000 ppm ethanol decreased PM by 63%. An interesting question is whether it is possible to reduce the impact of hazardous components in the exhaust gas even more by adding oxygenates to biodiesels. In this article, alcohol is added to biodiesel in order to establish the impact on PM and NOx concentrations in the exhaust gases. Adding methanol, ethanol, and isopropanol at concentrations of 2000 ppm and 4000 ppm did not improve NOx emissions. The best results were using pure RME for a low NO content, pure diesel for a low NO2 content, and for PM there were no statistically significant differences. |
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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 |
000825645900001 |
Publication Date |
2022-06-23 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1661-7827; 1660-4601 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
|
|
Notes |
|
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:189476 |
Serial |
7172 |
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Permanent link to this record |
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Author |
Quintelier, M.; Perkisas, T.; Poppe, R.; Batuk, M.; Hendrickx, M.; Hadermann, J. |
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Title |
Determination of spinel content in cycled Li1.2Ni0.13Mn0.54Co0.13O2 using three-dimensional electron diffraction and precession electron diffraction |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Symmetry-Basel |
Abbreviated Journal |
Symmetry-Basel |
|
|
Volume |
13 |
Issue |
11 |
Pages |
1989-17 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM); Electron microscopy for materials research (EMAT) |
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Abstract |
Among lithium battery cathode materials, Li1.2Ni0.13Mn0.54Co0.13O2 (LR-NMC) has a high theoretical capacity, but suffers from voltage and capacity fade during cycling. This is partially ascribed to transition metal cation migration, which involves the local transformation of the honeycomb layered structure to spinel-like nano-domains. Determination of the honeycomb layered/spinel phase ratio from powder X-ray diffraction data is hindered by the nanoscale of the functional material and the domains, diverse types of twinning, stacking faults, and the possible presence of the rock salt phase. Determining the phase ratio from transmission electron microscopy imaging can only be done for thin regions near the surfaces of the crystals, and the intense beam that is needed for imaging induces the same transformation to spinel as cycling does. In this article, it is demonstrated that the low electron dose sufficient for electron diffraction allows the collection of data without inducing a phase transformation. Using calculated electron diffraction patterns, we demonstrate that it is possible to determine the volume ratio of the different phases in the particles using a pair-wise comparison of the intensities of the reflections. Using this method, the volume ratio of spinel structure to honeycomb layered structure is determined for a submicron sized crystal from experimental three-dimensional electron diffraction (3D ED) and precession electron diffraction (PED) data. Both twinning and the possible presence of the rock salt phase are taken into account. After 150 charge-discharge cycles, 4% of the volume in LR-NMC particles was transformed irreversibly from the honeycomb layered structure to the spinel structure. The proposed method would be applicable to other multi-phase materials as well. |
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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 |
000815310500001 |
Publication Date |
2021-10-21 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2073-8994 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
1.457 |
Times cited |
|
Open Access |
OpenAccess |
|
|
Notes |
|
Approved |
Most recent IF: 1.457 |
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Call Number |
UA @ admin @ c:irua:189468 |
Serial |
7080 |
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Permanent link to this record |
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Author |
Gogoi, A.; Neyts, E.C.; Milošević, M.V.; Peeters, F.M. |
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Title |
Arresting aqueous swelling of layered graphene-oxide membranes with H3O+ and OH- ions |
Type |
A1 Journal article |
|
Year |
2022 |
Publication |
ACS applied materials and interfaces |
Abbreviated Journal |
Acs Appl Mater Inter |
|
|
Volume |
14 |
Issue |
30 |
Pages |
34946-34954 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Over the past decade, graphene oxide (GO) has emerged as a promising membrane material with superior separation performance and intriguing mechanical/chemical stability. However, its practical implementation remains very challenging primarily because of its undesirable swelling in an aqueous environment. Here, we demonstrated that dissociation of water molecules into H3O+ and OH- ions inside the interlayer gallery of a layered GO membrane can strongly affect its stability and performance. We reveal that H3O+ and OH- ions form clusters inside the GO laminates that impede the permeance of water and salt ions through the membrane. Dynamics of those clusters is sensitive to an external ac electric field, which can be used to tailor the membrane performance. The presence of H3O+ and OH- ions also leads to increased stability of the hydrogen bond (H-bond) network among the water molecules and the GO layers, which further reduces water permeance through the membrane, while crucially imparting stability to the layered GO membrane against undesirable swelling. KEYWORDS: layered graphene-oxide membrane, aqueous stability, H3O+ and OH- ions, external electric field, molecular dynamics |
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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 |
000835946500001 |
Publication Date |
2022-07-25 |
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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 |
1944-8244 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
9.5 |
Times cited |
9 |
Open Access |
OpenAccess |
|
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Notes |
|
Approved |
Most recent IF: 9.5 |
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Call Number |
UA @ admin @ c:irua:189467 |
Serial |
7127 |
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Permanent link to this record |
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Author |
Ysebaert, T.; Samson, R.; Denys, S. |
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Title |
Parameterisation of the drag effect of climbers depending on wind speed and LAD |
Type |
A1 Journal article |
|
Year |
2022 |
Publication |
Sustainable Cities and Society |
Abbreviated Journal |
Sustain Cities Soc |
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Volume |
84 |
Issue |
|
Pages |
103979-12 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The implementation of green walls is increasingly seen as a strategy to tackle urban air pollution and to make cities more climate resilient. The correct description of the vegetation-wind interaction is key in describing the effect of vegetation in computational fluid dynamics (CFD) models. The accuracy of the modelled wind flow is highly linked to the uncertainty about the drag coefficient (C-d). In addition, at low wind speeds viscous drag (K) is not negligible and it should be regarded in CFD models. This research aims to address the uncertainty related to C-d and K by including the effect of climbers on both the momentum and turbulence equations in the Wilcox revised k-omega model. The change of K with increasing Reynolds number showed an increase from 5.10(-8 )m(2) up to the dynamic viscosity of air (asymptotic to 10(-5) m(2)) following a logistic function. Beyond the transition region from viscous to form drag, C-d, in the range of 0.1-1.1, declined with increasing Reynolds number following a power law function. Furthermore, the plant morphological parameters determining permeability and drag coefficient were identified. This study showed that the knowledge of viscous and shape resistance is necessary to obtain accurate statistics for air flow through vegetation. |
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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 |
000831685500001 |
Publication Date |
2022-06-14 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2210-6707 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
11.7 |
Times cited |
|
Open Access |
OpenAccess |
|
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Notes |
|
Approved |
Most recent IF: 11.7 |
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Call Number |
UA @ admin @ c:irua:189465 |
Serial |
7187 |
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Permanent link to this record |
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Author |
Friedrich, T.; Yu, C.-P.; Verbeek, J.; Pennycook, T.; Van Aert, S. |
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Title |
Phase retrieval from 4-dimensional electron diffraction datasets |
Type |
P1 Proceeding |
|
Year |
2021 |
Publication |
Proceedings
T2 – IEEE International Conference on Image Processing (ICIP), SEP 19-22, 2021, Electr. network |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
3453-3457 |
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Keywords |
P1 Proceeding; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
We present a computational imaging mode for large scale electron microscopy data, which retrieves a complex wave from noisy/sparse intensity recordings using a deep learning approach and subsequently reconstructs an image of the specimen from the Convolutional Neural Network (CNN) predicted exit waves. We demonstrate that an appropriate forward model in combination with open data frameworks can be used to generate large synthetic datasets for training. In combination with augmenting the data with Poisson noise corresponding to varying dose-values, we effectively eliminate overfitting issues. The U-NET[1] based architecture of the CNN is adapted to the task at hand and performs well while maintaining a relatively small size and fast performance. The validity of the approach is confirmed by comparing the reconstruction to well-established methods using simulated, as well as real electron microscopy data. The proposed method is shown to be effective particularly in the low dose range, evident by strong suppression of noise, good spatial resolution, and sensitivity to different atom types, enabling the simultaneous visualisation of light and heavy elements and making different atomic species distinguishable. Since the method acts on a very local scale and is comparatively fast it bears the potential to be used for near-real-time reconstruction during data acquisition. |
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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 |
000819455103114 |
Publication Date |
2021-08-23 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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ISSN |
978-1-6654-4115-5 |
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 |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:189462 |
Serial |
7089 |
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Permanent link to this record |
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Author |
Neven, L.; Barich, H.; Rutten, R.; De Wael, K. |
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Title |
Novel (photo)electrochemical analysis of aqueous industrial samples containing phenols |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Microchemical journal |
Abbreviated Journal |
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Volume |
181 |
Issue |
|
Pages |
107778-11 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
Phenols are considered as toxic pollutants and their discharge into the environment by industries is regulated by a concentration limit. As these limits are in the low mg L−1 to µg L−1-range, sensitive methods are necessary to detect these phenols. Here, aqueous industrial phenolic samples throughout a cleaning process were analyzed by two novel electrochemical sensors. Both the photoelectrochemical (PEC) sensor and the square wave voltammetric (SWV) sensor could successfully follow the decrease of the concentration of phenols along the industrial cleaning process. The discharge sample (μg L−1) could only be analyzed by the PEC sensor and not by the SWV sensor, as the phenolic concentration was close to the LOD of the latter. With HPLC-diode array detector (DAD) measurements, classical phenols such as phenol (PHOH), hydroquinone, resorcinol and o-cresol could be identified in the industrial samples, and their presence could be linked to the electrochemical responses. At last, the performance of the PEC and SWV sensors were compared with commercial colorimetric and chemical oxygen demand (COD) test kits. This comparison demonstrated the high sensitivity of the PEC sensor in the μg L−1 concentrated phenolic samples. Together with the identification of the redox peaks through HPLC-DAD analysis, the SWV sensor can be a powerful tool in the qualitative analysis of mg L−1 concentrated phenolic samples due to its speed, simplicity and absence of laborious sample pre-treatment steps. |
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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 |
000837838400003 |
Publication Date |
2022-07-20 |
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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 |
|
Series Issue |
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Edition |
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ISSN |
0026-265x; 0026-265x |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
|
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Notes |
|
Approved |
no |
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Call Number |
UA @ admin @ c:irua:189428 |
Serial |
8906 |
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Permanent link to this record |
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Author |
Ngo, K.N.; Tampon, P.; Van Winckel, T.; Massoudieh, A.; Sturm, B.; Bott, C.; Wett, B.; Murthy, S.; Vlaeminck, S.E.; DeBarbadillo, C.; De Clippeleir, H. |
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Title |
Introducing bioflocculation boundaries in process control to enhance effluent quality of high‐rate contact‐stabilization systems |
Type |
A1 Journal article |
|
Year |
2022 |
Publication |
Water environment research |
Abbreviated Journal |
Water Environ Res |
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Volume |
94 |
Issue |
8 |
Pages |
e10772-17 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
High-rate activated sludge (HRAS) systems suffer from high variability of effluent quality, clarifier performance, and carbon capture. This study proposed a novel control approach using bioflocculation boundaries for wasting control strategy to enhance effluent quality and stability while still meeting carbon capture goals. The bioflocculation boundaries were developed based on the oxygen uptake rate (OUR) ratio between contactor and stabilizer (feast/famine) in a high-rate contact stabilization (CS) system and this OUR ratio was used to manipulate the wasting setpoint. Increased oxidation of carbon or decreased wasting was applied when OUR ratio was <0.52 or >0.95 to overcome bioflocculation limitation and maintain effluent quality. When no bioflocculation limitations (OUR ratio within 0.52–0.95) were detected, carbon capture was maximized. The proposed control concept was shown for a fully automated OUR-based control system as well as for a simplified version based on direct waste flow control. For both cases, significant improvements in effluent suspended solids level and stability (<50-mg TSS/L), solids capture over the clarifier (>90%), and COD capture (median of 32%) were achieved. This study shows how one can overcome the process instability of current HRAS systems and provide a path to achieve more reliable outcomes. |
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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 |
000840360100001 |
Publication Date |
2022-07-23 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1061-4303; 1554-7531 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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|
Impact Factor |
3.1 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
|
Approved |
Most recent IF: 3.1 |
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Call Number |
UA @ admin @ c:irua:189409 |
Serial |
7174 |
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Permanent link to this record |
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Author |
Brienza, F.; Van Aelst, K.; Devred, F.; Magnin, D.; Tschulkow, M.; Nimmegeers, P.; Van Passel, S.; Sels, B.F.; Gerin, P.; Debecker, D.P.; Cybulska, I. |
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Title |
Unleashing lignin potential through the dithionite-assisted organosolv fractionation of lignocellulosic biomass |
Type |
A1 Journal article |
|
Year |
2022 |
Publication |
Chemical Engineering Journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
450 |
Issue |
3 |
Pages |
138179-14 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
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Abstract |
The development of biomass pretreatment approaches that, next to (hemi)cellulose valorization, aim at the conversion of lignin to chemicals is essential for the long-term success of a biorefinery. Herein, we discuss a dithionite-assisted organosolv fractionation (DAOF) of lignocellulose in n-butanol and water to produce cellulosic pulp and mono-/oligo-aromatics. The study frames the technicalities of this biorefinery process and relates them to the features of the obtained product streams. We comprehensively identify and quantify all products of interest: solid pulp (acid hydrolysis-HPLC, ATR-FTIR, XRD, SEM, enzymatic hydrolysis-HPLC), lignin derivatives (GPC, GC-MS/FID, 1H-13C HSQC NMR, ICP-AES), and carbohydrate derivatives (HPLC). These results were used for inspecting the economic feasibility of DAOF. In the best process configuration, a high yield of monophenolics was reached (~20%, based on acid insoluble lignin in birch sawdust). Various other lignocellulosic feedstocks were also explored, showing that DAOF is particularly effective on hardwood and herbaceous biomass. Overall, this study demonstrates that DAOF is a viable fractionation method for the sustainable upgrading of lignocellulosic biomass. |
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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 |
000888204900005 |
Publication Date |
2022-07-20 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
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|
|
ISSN |
1385-8947; 1873-3212 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
15.1 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
|
Approved |
Most recent IF: 15.1 |
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Call Number |
UA @ admin @ c:irua:189322 |
Serial |
7373 |
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Permanent link to this record |
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Author |
Gielis, J.; Shi, P.; Caratelli, D. |
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Title |
Universal equations : a fresh perspective |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Growth and Form |
Abbreviated Journal |
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Volume |
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Issue |
|
Pages |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
A uniform description of natural shapes and phenomena is an important goal in science. Such description should check some basic principles, related to 1) the complexity of the model, 2) how well its fits real objects, phenomena and data, and 3) ia direct connection with optimization principles and the calculus of variations. In this article, we present nine principles, three for each group, and we compare some models with a claim to universality. It is also shown that Gielis Transformations and power laws have a common origin in conic sections |
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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 |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:189317 |
Serial |
7224 |
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Author |
Gielis, J.; Grigolia, R. |
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Title |
Lamé curves and Rvachev's R-functions |
Type |
A3 Journal article |
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Year |
2022 |
Publication |
Sn – 1512-0066 |
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Volume |
37 |
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Pages |
1-4 |
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Keywords |
A3 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Gielis transformations are a generalization of Lame curves. To combine domains, we can make use of the natural alliance between Lame's work and Rvachev's R-functions. A logical next step is the extension to n-valued logic dening dierent partitions. |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:189316 |
Serial |
7178 |
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Author |
Wang, L.; Miao, Q.; Niinemets, Ü.; Gielis, J.; Shi, P. |
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Title |
Quantifying the variation in the geometries of the outer rims of corolla tubes of Vinca major L |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Plants |
Abbreviated Journal |
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Volume |
11 |
Issue |
15 |
Pages |
1987-12 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Many geometries of plant organs can be described by the Gielis equation, a polar coordinate equation extended from the superellipse equation, . Here, r is the polar radius corresponding to the polar angle φ; m is a positive integer that determines the number of angles of the Gielis curve when φ ∈ [0 to 2π); and the rest of the symbols are parameters to be estimated. The pentagonal radial symmetry of calyxes and corolla tubes in top view is a common feature in the flowers of many eudicots. However, prior studies have not tested whether the Gielis equation can depict the shapes of corolla tubes. We sampled randomly 366 flowers of Vinca major L., among which 360 had five petals and pentagonal corolla tubes, and six had four petals and quadrangular corolla tubes. We extracted the planar coordinates of the outer rims of corolla tubes (in top view) (ORCTs), and then fitted the data with two simplified versions of the Gielis equation with k = 1 and m = 5: (Model 1), and (Model 2). The adjusted root mean square error (RMSEadj) was used to evaluate the goodness of fit of each model. In addition, to test whether ORCTs are radially symmetrical, we correlated the estimates of n2 and n3 in Model 1 on a log-log scale. The results validated the two simplified Gielis equations. The RMSEadj values for all corolla tubes were smaller than 0.05 for both models. The numerical values of n2 and n3 were demonstrated to be statistically equal based on the regression analysis, which suggested that the ORCTs of V. major are radially symmetrical. It suggests that Model 1 can be replaced by the simpler Model 2 for fitting the ORCT in this species. This work indicates that the pentagonal or quadrangular corolla tubes (in top view) can both be modeled by the Gielis equation and demonstrates that the pentagonal or quadrangular corolla tubes of plants tend to form radial symmetrical geometries during their development and growth. |
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000839115100001 |
Publication Date |
2022-08-01 |
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ISSN |
2223-7747 |
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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 |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:189315 |
Serial |
7200 |
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Permanent link to this record |
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Author |
Shi, P.; Gielis, J.; Quinn, B.K.; Niklas, K.J.; Ratkowsky, D.A.; Schrader, J.; Ruan, H.; Wang, L.; Niinemets, Ü.; Niinennets, U. |
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Title |
‘biogeom’ : an R package for simulating and fitting natural shapes |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Annals of the New York Academy of Sciences |
Abbreviated Journal |
Ann Ny Acad Sci |
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Volume |
1516 |
Issue |
1 |
Pages |
123-134 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Many natural objects exhibit radial or axial symmetry in a single plane. However, a universal tool for simulating and fitting the shapes of such objects is lacking. Herein, we present an R package called 'biogeom' that simulates and fits many shapes found in nature. The package incorporates novel universal parametric equations that generate the profiles of bird eggs, flowers, linear and lanceolate leaves, seeds, starfish, and tree-rings, and three growth-rate equations that generate the profiles of ovate leaves and the ontogenetic growth curves of animals and plants. 'biogeom' includes several empirical datasets comprising the boundary coordinates of bird eggs, fruits, lanceolate and ovate leaves, tree rings, seeds, and sea stars. The package can also be applied to other kinds of natural shapes similar to those in the datasets. In addition, the package includes sigmoid curves derived from the three growth-rate equations, which can be used to model animal and plant growth trajectories and predict the times associated with maximum growth rate. 'biogeom' can quantify the intra- or interspecific similarity of natural outlines, and it provides quantitative information of shape and ontogenetic modification of shape with important ecological and evolutionary implications for the growth and form of the living world. |
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000829772300001 |
Publication Date |
2022-07-26 |
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ISSN |
0077-8923; 1749-6632 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.2 |
Times cited |
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Open Access |
OpenAccess |
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Approved |
Most recent IF: 5.2 |
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Call Number |
UA @ admin @ c:irua:189314 |
Serial |
7131 |
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Author |
Borah, R.; Smets, J.; Ninakanti, R.; Tietze, M.L.; Ameloot, R.; Chigrin, D.N.; Bals, S.; Lenaerts, S.; Verbruggen, S.W. |
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Title |
Self-assembled ligand-capped plasmonic Au nanoparticle films in the Kretschmann configuration for sensing of volatile organic compounds |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
ACS applied nano materials |
Abbreviated Journal |
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Volume |
5 |
Issue |
8 |
Pages |
acsanm.2c02524-12 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Films of close-packed Au nanoparticles are coupled electrodynamically through their collective plasmon resonances. This collective optical response results in enhanced light–matter interactions, which can be exploited in various applications. Here, we demonstrate their application in sensing volatile organic compounds, using methanol as a test case. Ordered films over several cm2 were obtained by interfacial self-assembly of colloidal Au nanoparticles (∼10 nm diameter) through controlled evaporation of the solvent. Even though isolated nanoparticles of this size are inherently nonscattering, when arranged in a close-packed film the plasmonic coupling results in a strong reflectance and absorbance. The in situ tracking of vapor phase methanol concentration through UV–vis transmission measurements of the nanoparticle film is first demonstrated. Next, in situ ellipsometry of the self-assembled films in the Kretschmann (also known as ATR) configuration is shown to yield enhanced sensitivity, especially with phase difference measurements, Δ. Our study shows the excellent agreement between theoretical models of the spectral response of self-assembled films with experimental in situ sensing experiments. At the same time, the theoretical framework provides the basis for the interpretation of the various observed experimental trends. Combining periodic nanoparticle films with ellipsometry in the Kretschmann configuration is a promising strategy toward highly sensitive and selective plasmonic thin-film devices based on colloidal fabrication methods for volatile organic compound (VOC) sensing applications. |
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000834348300001 |
Publication Date |
2022-07-27 |
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ISSN |
2574-0970 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.9 |
Times cited |
11 |
Open Access |
OpenAccess |
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Notes |
R.B. acknowledges financial support from the University of Antwerp Special Research Fund (BOF) for a DOCPRO4 doctoral scholarship. J.S. acknowledges financial support from the Research Foundation Flanders (FWO) by a Ph.D. fellowship (11H8121N) . M.L.T. acknowledges financial support from the Research Foundation Flanders (FWO) by a senior postdoctoral fellowship (12ZK720N) . |
Approved |
Most recent IF: 5.9 |
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Call Number |
UA @ admin @ c:irua:189295 |
Serial |
7095 |
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Author |
Van Hoecke, L.; Boeye, D.; Gonzalez‐Quiroga, A.; Patience, G.S.; Perreault, P. |
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Title |
Experimental methods in chemical engineering : computational fluid dynamics/finite volume method–CFD/FVM |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
The Canadian journal of chemical engineering |
Abbreviated Journal |
Can J Chem Eng |
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Pages |
1-17 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Computational fluid dynamics (CFD) applies numerical methods to solve transport phenomena problems. These include, for example, problems related to fluid flow comprising the Navier--Stokes transport equations for either compressible or incompressible fluids together with turbulence models and continuity equations for single and multi-component (reacting and inert) systems. The design space is first segmented into discrete volume elements (meshing). The finite volume method, the subject of this article, discretizes the equations in time and space to produce a set of non-linear algebraic expressions that are assigned to each volume element-cell. The system of equations is solved iteratively with algorithms like the semi-implicit method for pressure-linked equations (SIMPLE) and the pressure implicit splitting of operators (PISO). CFD is especially useful for testing multiple design elements because it is often faster and cheaper than experiments. The downside is that this numerical method is based on models that require validation to check their accuracy. According to a bibliometric analysis, the broad research domains in chemical engineering include: (1) dynamics and CFD-DEM (2) fluid flow, heat transfer and turbulence, (3) mass transfer and combustion, (4) ventilation and environment, and (5) design and optimization. Here, we review the basic theoretical concepts of CFD and illustrate how to set up a problem in the open-source software OpenFOAM to isomerize n-butane to i-butane in a notched reactor under turbulent conditions. We simulated the problem with 1000, 4000, and 16000 cells. According to the Richardson extrapolation, the simulation underestimates the adiabatic temperature rise by 7% with 16000 cells. |
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000859840100001 |
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2022-07-26 |
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ISSN |
0008-4034; 1939-019x |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.1 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.1 |
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Call Number |
UA @ admin @ c:irua:189284 |
Serial |
7160 |
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Author |
Lang, X.; Ouyang, Y.; Vandewalle, L.A.; Goshayeshi, B.; Chen, S.; Madanikashani, S.; Perreault, P.; Van Geem, K.M.; van Geem, K.M. |
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Title |
Gas-solid hydrodynamics in a stator-rotor vortex chamber reactor |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
446 |
Issue |
5 |
Pages |
137323-12 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The gas-solid vortex reactor (GSVR) has enormous process intensification potential. However the huge gas consumption can be a serious disadvantage for the GSVR in some applications such as fast pyrolysis. In this work, we demonstrate a recent novel design, where a stator-rotor vortex chamber (STARVOC) is driven by the fluid's kinetic energy, to decouple the solids bed rotation and gas. Gas-solid fluidization by using air and monosized aluminum balls was performed to investigate the hydrodynamics. A constructed fluidization flow regime map for a fixed solids loading of 100 g shows that the bed can only be fluidized for a rotation speed between 200 and 400 RPM. Below 200 RPM, particles settle down on the bottom plate and cannot form a stable bed due to inertia and friction. Above 400 RPM, the bed cannot be fluidized with superficial velocities up to 1.8 m/s (air flow rate of 90 Nm(3)/h). The bed thickness shows some non-uniformities, being smaller at the top of the bed than at the bottom counterpart. However by increasing the air flow rate or rotation speed the axial nonuniformity can be resolved. The bed pressure drop first increases with increasing gas flow rate and then levels off, showing similar characteristics as conventional fluidized beds. Theoretical pressure drops calculated from mathematical models such as Kao et al. model agree well with experimental measurements. Particle velocity discrepancies between the top and bottom particles reveal that the impact of gravity cannot be completely neglected. Design guidelines and possible applications for further development of STARVOC concept are proposed based on fundamental data provided in this work. |
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000833418100006 |
Publication Date |
2022-06-01 |
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ISSN |
1385-8947; 1873-3212 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
15.1 |
Times cited |
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Open Access |
OpenAccess |
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Approved |
Most recent IF: 15.1 |
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Call Number |
UA @ admin @ c:irua:189283 |
Serial |
7167 |
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Author |
Magalhães Cunha, S. |
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Title |
Wave-packet dynamics and electronic transport properties in 2D materials |
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Doctoral thesis |
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Year |
2022 |
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Abbreviated Journal |
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Pages |
219 p. |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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Abstract |
This piece of work is twofold. First, the time evolution of wave-packets in 2D systems is analyzed by the Split-Operator technique in three different scenarios: in multilayer phosphorene, the transient oscillations in the time-dependent average of position and momentum were observed due to the zitterbewegung effect, and the wave packet propagates non-uniformly along the space deforming itself into an elliptical shape. These results were corroborated by the Green’s function formalism except for large values of the wave-vector and long times; in 2D semiconductor quantum wires (QWs) with anisotropic effective masses and different angle orientations with respect to the anisotropic axis. We have shown that the greater this angle, the smaller is the energy levels spacing implying in an increase of the accessible electronic states. Additionally, for non-null magnetic field, the quantum Hall edge states are significantly affected by the edge orientation. In the anisotropic case damped oscillations in the average values of velocity in both x and y directions where obtained. Theses oscillations are originated by the QW geometry but also from subwavepackets with different momentum orientations, whereas for isotropic QWs the wavepacket disperses without splitting; in the third scenario the split-operator technique was used to study the Landau levels, the wave packet trajectories and velocities of electrons in graphene at low-energy regime described by a modified Dirac equation where the momentum-operator is written in a generalized form as result of applying the position-dependent translation operator formalism (PDTO). In the second part of this thesis, the electronic and tunneling properties of α − T3 lattices were studied. Electrons in these lattices behave analogous to integer-spin Dirac Fermions. The presence of a third atomic site in the unit cell leads to a flat band in the energy spectrum, providing unique electronic and tunneling properties. The presence of a super-periodic potential and the inclusion of symmetry-breaking terms results in deviations of the atomic equivalence between the atomic sites affecting the Dirac points and the band-gap. Small deviations in the equivalence between the atomic sites and the number of barriers change the transmission properties in these lattices. Additionally, new tunneling regions are possible by adjusting the symmetry between the atomic sites and affect the omnidirectional total transmission called super-Klein tunneling observed in these lattices. We compare those results to the tunneling probabilities through regions where the energy spectrum changes from linear with a middle flat band to a hyperbolic dispersion. |
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UA library record |
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Open Access |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:189191 |
Serial |
7227 |
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Permanent link to this record |
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Author |
Borah, R. |
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Title |
Photoactive nanostructures : from single plasmonic nanoparticles to self-assembled films |
Type |
Doctoral thesis |
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Year |
2022 |
Publication |
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Abbreviated Journal |
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Volume |
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Pages |
xxxiv, 220 p. |
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Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Photoactive nanoparticles and their light-driven applications have gained tremendous scientific attention towards remediation of the global environmental problems, meeting alternative energy demands, and other new technological discoveries. The research work presented in this dissertation includes a fundamental investigation of such nanoparticles to gain deeper insights that will ultimately benefit their application. In particular, the study of plasmonic metal nanoparticles and metal oxide nanoparticles for light driven applications is the major theme of this work. The investigation begins with isolated plasmonic Au and Ag nanoparticles, followed by a natural extension to nanoparticle clusters, and then further to nanoparticle films. Next, the application of such plasmonic nanoparticle films for gaseous phase sensing of volatile organic compounds is explored. Finally, the film formation of metal-oxide nanoparticles by self-assembly is investigated for the fabrication of photoactive functional interfaces. The fundamental theoretical investigation of the isolated plasmonic nanoparticles encompasses alloy and core-shell nanostructures of Au-Ag bimetallic compositions. First, the optical properties of bimetallic alloy and core-shell nanoparticles are compared for different structures such as nanospheres, nanotriangles and nanorods. Based on the optical properties, the photothermal properties of these nanostructures are also evaluated for relevant light-driven applications. Further, to bridge the gap between the theoretical and experimental optical properties of colloidal plasmonic nanoparticles, the effect of different statistical parameters pertaining to the particle size distribution is studied. Going from isolated nanoparticles to nanoparticle clusters, the changes in the optical properties of plasmonic nanoparticles when they form finite clusters is investigated. A strong effect of clustering on the absorption intensities of the nanoparticles and hence, on the photothermal properties is found. Next, for the study of plasmonic nanoparticle infinite arrays, Au and Ag nanoparticles films are experimentally obtained by the self-assembly at the air-ethylene glycol interface. Upon further validation of the computational models with the experimental optical properties of these films, the near-field and far-field optical response of the plasmonic nanoparticle arrays is investigated. An application of the self-assembled Au nanoparticle film is then demonstrated in the sensing of volatile organic compounds (VOCs). Finally, the focus is shifted from plasmonic nanoparticles to metal oxide nanoparticles for their self-assembly at the air-water interface to obtain self-assembled films. For this, the hydrophobic functionalization of four metal oxides nanoparticles namely, TiO2, ZnO, WO3 and CuO is investigated. The insights from this work is useful for the design and fabrication of functional nanoparticles and interfaces for light driven applications. |
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UA library record |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:189155 |
Serial |
7188 |
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Permanent link to this record |
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Author |
Girard-Sahun, F.; Lefrancois, P.; Badets, V.; Arbault, S.; Clement, F. |
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Title |
Direct sensing of superoxide and its relatives reactive oxygen and nitrogen species in phosphate buffers during cold atmospheric plasmas exposures |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Analytical Chemistry |
Abbreviated Journal |
Anal Chem |
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Volume |
94 |
Issue |
14 |
Pages |
5555-5565 |
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A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
This study aims at sensing in situ reactive oxygen and nitrogen species (RONS) and specifically superoxide anion (O-2(center dot-)) in aqueous buffer solutions exposed to cold atmospheric plasmas (CAPs). CAPs were generated by ionizing He gas shielded with variable N-2/O-2 mixtures. Thanks to ultramicroelectrodes protected against the high electric fields transported by the ionization waves of CAPs, the production of superoxide and several RONS was electrochemically directly detected in liquids during their plasma exposure. Complementarily, optical emissive spectroscopy (OES) was used to study the plasma phase composition and its correlation with the chemistry in the exposed liquid. The specific production of O-2(center dot-), a biologically reactive redox species, was analyzed by cyclic voltammetry (CV), in both alkaline (pH 11), where the species is fairly stable, and physiological (pH 7.4) conditions, where it is unstable. To understand its generation with respect to the plasma chemistry, we varied the shielding gas composition of CAPs to directly impact on the RONS composition at the plasma-liquid interface. We observed that the production and accumulation of RONS in liquids, including O(2)(center dot-)depends on the plasma composition, with N-2-based shieldings providing the highest superoxide concentrations (few 10s of micromolar at most) and of its derivatives (hundreds of micromolar). In situ spectroscopic and electrochemical analyses provide a high resolution kinetic and quantitative understanding of the interactions between CAPs and physiological solutions for biomedical applications. |
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000805334400013 |
Publication Date |
2022-03-28 |
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ISSN |
0003-2700; 5206-882x |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
7.4 |
Times cited |
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Open Access |
OpenAccess |
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Approved |
Most recent IF: 7.4 |
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Call Number |
UA @ admin @ c:irua:189093 |
Serial |
7143 |
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Author |
Hao, Y.; Velpula, G.; Kaltenegger, M.; Bodlos, W.R.; Vibert, F.; Mali, K.S.; De Feyter, S.; Resel, R.; Geerts, Y.H.; Van Aert, S.; Beljonne, D.; Lazzaroni, R. |
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Title |
From 2D to 3D : bridging self-assembled monolayers to a substrate-induced polymorph in a molecular semiconductor |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
34 |
Issue |
5 |
Pages |
2238-2248 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
In this study, a new bottom-up approach is proposed to predict the crystal structure of the substrate-induced polymorph (SIP) of an archetypal molecular semiconductor. In spite of intense efforts, the formation mechanism of SIPs is still not fully understood, and predicting their crystal structure is a very delicate task. Here, we selected lead phthalocyanine (PbPc) as a prototypical molecular material because it is a highly symmetrical yet nonplanar molecule and we demonstrate that the growth and crystal structure of the PbPc SIPs can be templated by the corresponding physisorbed self-assembled molecular networks (SAMNs). Starting from SAMNs of PbPc formed at the solution/graphite interface, the structural and energetic aspects of the assembly were studied by a combination of in situ scanning tunneling microscopy and multiscale computational chemistry approach. Then, the growth of a PbPc SIP on top of the physisorbed monolayer was modeled without prior experimental knowledge, from which the crystal structure of the SIP was predicted. The theoretical prediction of the SIP was verified by determining the crystal structure of PbPc thin films using X-ray diffraction techniques, revealing the formation of a new polymorph of PbPc on the graphite substrate. This study clearly illustrates the correlation between the SAMNs and SIPs, which are traditionally considered as two separate but conceptually connected research areas. This approach is applicable to molecular materials in general to predict the crystal structure of their SIPs. |
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Wos |
000812125800001 |
Publication Date |
2022-02-17 |
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ISSN |
0897-4756; 1520-5002 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.6 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 8.6 |
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Call Number |
UA @ admin @ c:irua:189086 |
Serial |
7084 |
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Permanent link to this record |