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Author Verdierre, G.; Gauquelin, N.; Jannis, D.; Birkhölzer, Y.A.; Mallik, S.; Verbeeck, J.; Bibes, M.; Koster, G.
  Title Epitaxial growth of the candidate ferroelectric Rashba material SrBiO3by pulsed laser deposition Type A1 Journal article
  Year 2023 Publication APL materials Abbreviated Journal
  Volume 11 Issue 3 Pages 031109
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Among oxides, bismuthates have been gaining much interest due to their unique features. In addition to their superconducting properties, they show potential for applications as topological insulators and as possible spin-to-charge converters. After being first investigated in their bulk form in the 1980s, bismuthates have been successfully grown as thin films. However, most efforts have focused on BaBiO<sub>3</sub>, with SrBiO<sub>3</sub>receiving only little attention. Here, we report the growth of epitaxial films of SrBiO<sub>3</sub>on both TiO<sub>2</sub>-terminated SrTiO<sub>3</sub>and NdO-terminated NdScO<sub>3</sub>substrates by pulsed laser deposition. SrBiO<sub>3</sub>has a pseudocubic lattice constant of ∼4.25 Å and grows relaxed on NdScO<sub>3</sub>. Counter-intuitively, it grows with a slight tensile strain on SrTiO<sub>3</sub>despite a large lattice mismatch, which should induce compressive strain. High-resolution transmission electron microscopy reveals that this occurs as a consequence of structural domain matching, with blocks of 10 SrBiO<sub>3</sub>unit planes matching blocks of 11 SrTiO<sub>3</sub>unit planes. This work provides a framework for the synthesis of high quality perovskite bismuthates films and for the understanding of their interface interactions with homostructural substrates.
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  Language Wos 000953363800004 Publication Date 2023-03-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2166-532X ISBN Additional Links (down) UA library record; WoS full record
  Impact Factor 6.1 Times cited Open Access OpenAccess
  Notes This work received support from the ERC Advanced grant (Grant No. 833973) “FRESCO” and funding from the European Union’s Horizon 2020 Research and Innovation Program under Grant Agreement No. 823717—ESTEEM3, Van Gogh travel grant, Nuffic, The Netherlands (CF No. 42582SB).; esteem3reported; esteem3TA Approved Most recent IF: 6.1; 2023 IF: 4.335
  Call Number EMAT @ emat @c:irua:196135 Serial 7377
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Author Benedoue, S.; Benedet, M.; Gasparotto, A.; Gauquelin, N.; Orekhov, A.; Verbeeck, J.; Seraglia, R.; Pagot, G.; Rizzi, G.A.; Balzano, V.; Gavioli, L.; Noto, V.D.; Barreca, D.; Maccato, C.
  Title Insights into the Photoelectrocatalytic Behavior of gCN-Based Anode Materials Supported on Ni Foams Type A1 Journal article
  Year 2023 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
  Volume 13 Issue 6 Pages 1035
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Graphitic carbon nitride (gCN) is a promising n-type semiconductor widely investigated for photo-assisted water splitting, but less studied for the (photo)electrochemical degradation of aqueous organic pollutants. In these fields, attractive perspectives for advancements are offered by a proper engineering of the material properties, e.g., by depositing gCN onto conductive and porous scaffolds, tailoring its nanoscale morphology, and functionalizing it with suitable cocatalysts. The present study reports on a simple and easily controllable synthesis of gCN flakes on Ni foam substrates by electrophoretic deposition (EPD), and on their eventual decoration with Co-based cocatalysts [CoO, CoFe2O4, cobalt phosphate (CoPi)] via radio frequency (RF)-sputtering or electrodeposition. After examining the influence of processing conditions on the material characteristics, the developed systems are comparatively investigated as (photo)anodes for water splitting and photoelectrocatalysts for the degradation of a recalcitrant water pollutant [potassium hydrogen phthalate (KHP)]. The obtained results highlight that while gCN decoration with Co-based cocatalysts boosts water splitting performances, bare gCN as such is more efficient in KHP abatement, due to the occurrence of a different reaction mechanism. The related insights, provided by a multi-technique characterization, may provide valuable guidelines for the implementation of active nanomaterials in environmental remediation and sustainable solar-to-chemical energy conversion.
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  Language Wos 000960297000001 Publication Date 2023-03-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2079-4991 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 5.3 Times cited 3 Open Access OpenAccess
  Notes The present work was financially supported by CNR (Progetti di Ricerca @CNR—avviso 2020—ASSIST), Padova University (P-DiSC#04BIRD2020-UNIPD EUREKA, DOR 2020–2022), AMGA Foundation (NYMPHEA project), INSTM Consortium (INSTM21PDGASPAROTTO—NANOMAT, INSTM21PDBARMAC—ATENA) and the European Union’s Horizon 2020 research and innovation program under grant agreement No. 823717—ESTEEM3. The FWO-Hercules fund G0H4316N ‘Direct electron detector for soft matter TEM’ is also acknowledged. Many thanks are also due to Dr. Riccardo Lorenzin for his support to experimental activities.; esteem3reported; esteem3TA Approved Most recent IF: 5.3; 2023 IF: 3.553
  Call Number EMAT @ emat @c:irua:196115 Serial 7378
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Author Kante, M.V.; Weber, M.L.; Ni, S.; van den Bosch, I.C.G.; van der Minne, E.; Heymann, L.; Falling, L.J.; Gauquelin, N.; Tsvetanova, M.; Cunha, D.M.; Koster, G.; Gunkel, F.; Nemsak, S.; Hahn, H.; Estrada, L.V.; Baeumer, C.
  Title A high-entropy oxide as high-activity electrocatalyst for water oxidation Type A1 Journal article
  Year 2023 Publication ACS nano Abbreviated Journal
  Volume 17 Issue 6 Pages 5329-5339
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract High-entropy materials are an emerging pathway in the development of high-activity (electro)catalysts because of the inherent tunability and coexistence of multiple potential active sites, which may lead to earth-abundant catalyst materials for energy-efficient electrochemical energy storage. In this report, we identify how the multication composition in high-entropy perovskite oxides (HEO) contributes to high catalytic activity for the oxygen evolution reaction (OER), i.e., the key kinetically limiting half-reaction in several electrochemical energy conversion technologies, including green hydrogen generation. We compare the activity of the (001) facet of LaCr0.2Mn0.2Fe0.2Co0.2Ni0.2O3-delta with the parent compounds (single B-site in the ABO3 perovskite). While the single B-site perovskites roughly follow the expected volcano-type activity trends, the HEO clearly outperforms all of its parent compounds with 17 to 680 times higher currents at a fixed overpotential. As all samples were grown as an epitaxial layer, our results indicate an intrinsic composition-function relationship, avoiding the effects of complex geometries or unknown surface composition. In-depth X-ray photoemission studies reveal a synergistic effect of simultaneous oxidation and reduction of different transition metal cations during the adsorption of reaction intermediates. The surprisingly high OER activity demonstrates that HEOs are a highly attractive, earth-abundant material class for high-activity OER electrocatalysts, possibly allowing the activity to be fine-tuned beyond the scaling limits of mono-or bimetallic oxides.
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  Language Wos 000953440900001 Publication Date 2023-03-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1936-0851 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 17.1 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 17.1; 2023 IF: 13.942
  Call Number UA @ admin @ c:irua:196097 Serial 7390
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Author Faraji, F.; Neek-Amal, M.; Neyts, E.C.; Peeters, F.M.
  Title Cation-controlled permeation of charged polymers through nanocapillaries Type A1 Journal article
  Year 2023 Publication Physical review E Abbreviated Journal Phys Rev E
  Volume 107 Issue 3 Pages 034501-34510
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Molecular dynamics simulations are used to study the effects of different cations on the permeation of charged polymers through flat capillaries with heights below 2 nm. Interestingly, we found that, despite being monovalent, Li+ , Na+ , and K+ cations have different effects on polymer permeation, which consequently affects their transmission speed throughout those capillaries. We attribute this phenomenon to the interplay of the cations' hydration free energies and the hydrodynamic drag in front of the polymer when it enters the capillary. Different alkali cations exhibit different surface versus bulk preferences in small clusters of water under the influence of an external electric field. This paper presents a tool to control the speed of charged polymers in confined spaces using cations.
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  Language Wos 000955986000006 Publication Date 2023-03-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2470-0053 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 2.4 Times cited 1 Open Access Not_Open_Access
  Notes Approved Most recent IF: 2.4; 2023 IF: 2.366
  Call Number UA @ admin @ c:irua:196089 Serial 7586
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Author Tchakoua, T.; Powell, A.D.; Gerrits, N.; Somers, M.F.; Doblhoff-Dier, K.; Busnengo, H.F.; Kroes, G.-J.
  Title Simulating highly activated sticking of H₂ on Al(110) : quantum versus quasi-classical dynamics Type A1 Journal article
  Year 2023 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal
  Volume 127 Issue 11 Pages 5395-5407
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We evaluate the importance of quantum effects on the sticking of H2 on Al(110) for conditions that are close to those of molecular beam experiments that have been done on this system. Calculations with the quasi-classical trajectory (QCT) method and with quantum dynamics (QD) are performed using a model in which only motion in the six molecular degrees of freedom is allowed. The potential energy surface used has a minimum barrier height close to the value recently obtained with the quantum Monte Carlo method. Monte Carlo averaging over the initial rovibrational states allowed the QD calculations to be done with an order of magnitude smaller computational expense. The sticking probability curve computed with QD is shifted to lower energies relative to the QCT curve by 0.21 to 0.05 kcal/mol, with the highest shift obtained for the lowest incidence energy. Quantum effects are therefore expected to play a small role in calculations that would evaluate the accuracy of electronic structure methods for determining the minimum barrier height to dissociative chemisorption for H2 + Al(110) on the basis of the standard procedure for comparing results of theory with molecular beam experiments.
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  Language Wos 000971346700001 Publication Date 2023-03-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447; 1932-7455 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 3.7 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 3.7; 2023 IF: 4.536
  Call Number UA @ admin @ c:irua:196071 Serial 8525
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Author Jain, N.; Hao, Y.; Parekh, U.; Kaltenegger, M.; Pedrazo-Tardajos, A.; Lazzaroni, R.; Resel, R.; Geerts, Y.H.; Bals, S.; Van Aert, S.
  Title Exploring the effects of graphene and temperature in reducing electron beam damage: A TEM and electron diffraction-based quantitative study on Lead Phthalocyanine (PbPc) crystals Type A1 Journal article
  Year 2023 Publication Micron Abbreviated Journal
  Volume 169 Issue Pages 103444
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract High-resolution transmission electron microscopy (TEM) of organic crystals, such as Lead Phthalocyanine (PbPc), is very challenging since these materials are prone to electron beam damage leading to the breakdown of the crystal structure during investigation. Quantification of the damage is imperative to enable high-resolution imaging of PbPc crystals with minimum structural changes. In this work, we performed a detailed electron diffraction study to quantitatively measure degradation of PbPc crystals upon electron beam irradiation. Our study is based on the quantification of the fading intensity of the spots in the electron diffraction patterns. At various incident dose rates (e/Å2/s) and acceleration voltages, we experimentally extracted the decay rate (1/s), which directly correlates with the rate of beam damage. In this manner, a value for the critical dose (e/Å2) could be determined, which can be used as a measure to quantify beam damage. Using the same methodology, we explored the influence of cryogenic temperatures, graphene TEM substrates, and graphene encapsulation in prolonging the lifetime of the PbPc crystal structure during TEM investigation. The knowledge obtained by diffraction experiments is then translated to real space high-resolution TEM imaging of PbPc.
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  Language Wos 000965998800001 Publication Date 2023-03-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0968-4328 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 2.4 Times cited 1 Open Access OpenAccess
  Notes This work is supported by FWO and FNRS within the 2Dto3D network of the EOS (Excellence of Science) program (grant number 30489208) and ERC-CoGREALNANO-815128 (to Prof. Dr. Sara Bals). N.J. would like to thank Dr. Kunal S. Mali and Dr. Da Wang for useful and interesting discussions on sample preparation procedures. Approved Most recent IF: 2.4; 2023 IF: 1.98
  Call Number EMAT @ emat @c:irua:196069 Serial 7379
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Author Chen, H.; Xiong, Y.; Li, J.; Abed, J.; Wang, D.; Pedrazo-Tardajos, A.; Cao, Y.; Zhang, Y.; Wang, Y.; Shakouri, M.; Xiao, Q.; Hu, Y.; Bals, S.; Sargent, E.H.H.; Su, C.-Y.; Yang, Z.
  Title Epitaxially grown silicon-based single-atom catalyst for visible-light-driven syngas production Type A1 Journal article
  Year 2023 Publication Nature communications Abbreviated Journal Nat Commun
  Volume 14 Issue 1 Pages 1719-11
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Despite the natural abundance and promising properties of Si, there are few examples of crystalline Si-based catalysts. Here, the authors report an epitaxial growth method to construct Co single atoms on Si for light driven CO2 reduction to syngas. Improving the dispersion of active sites simultaneous with the efficient harvest of photons is a key priority for photocatalysis. Crystalline silicon is abundant on Earth and has a suitable bandgap. However, silicon-based photocatalysts combined with metal elements has proved challenging due to silicon's rigid crystal structure and high formation energy. Here we report a solid-state chemistry that produces crystalline silicon with well-dispersed Co atoms. Isolated Co sites in silicon are obtained through the in-situ formation of CoSi2 intermediate nanodomains that function as seeds, leading to the production of Co-incorporating silicon nanocrystals at the CoSi2/Si epitaxial interface. As a result, cobalt-on-silicon single-atom catalysts achieve an external quantum efficiency of 10% for CO2-to-syngas conversion, with CO and H-2 yields of 4.7 mol g((Co))(-1) and 4.4 mol g((Co))(-1), respectively. Moreover, the H-2/CO ratio is tunable between 0.8 and 2. This photocatalyst also achieves a corresponding turnover number of 2 x 10(4) for visible-light-driven CO2 reduction over 6 h, which is over ten times higher than previously reported single-atom photocatalysts.
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  Language Wos 000962607600018 Publication Date 2023-03-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2041-1723 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 16.6 Times cited 6 Open Access OpenAccess
  Notes This work was supported by the National Natural Science Foundation of China (21821003, 21890380, 21905316), Guangdong Natural Science Foundation (2019A1515011748), the Science and Technology Planning Project of Guangdong Province (2019A050510018), Pearl River Recruitment Program of Talent (2019QN01C108), the EU Infrastructure Project EUSMI (Grant No. E190700310), and Sun Yat-sen University. D.W. acknowledges an Individual Fellowship funded by the Marie-Sklodowska-Curie Actions (MSCA) in Horizon 2020 program (grant 894254 SuprAtom). S.B. and A.P.-T. acknowledge financial support from the European Commission under the Horizon 2020 Programme by grant no. 731019 (EUSMI) and ERC Consolidator grant no. 815128 (REALNANO). This project has received funding from the European Commission Grant (EUSMI E190700310). Synchrotron XAS data described in this paper was performed at the Canadian Light Source, a national research facility of the University of Saskatchewan, which is supported by the Canada Foundation for Innovation (CFI), the Natural Sciences and Engineering Research Council (NSERC), the National Research Council (NRC), the Canadian Institutes of Health Research (CIHR), the Government of Saskatchewan, and the University of Saskatchewan. Approved Most recent IF: 16.6; 2023 IF: 12.124
  Call Number UA @ admin @ c:irua:196062 Serial 7932
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Author Byrnes, I.; Rossbach, L.M.; Brede, D.A.; Grolimund, D.; Sanchez, D.F.; Nuyts, G.; Cuba, V.; Reinoso-Maset, E.; Salbu, B.; Janssens, K.; Oughton, D.; Scheibener, S.; Teien, H.-C.; Lind, O.C.
  Title Synchrotron-based X-ray fluorescence imaging elucidates uranium toxicokinetics in Daphnia magna Type A1 Journal article
  Year 2023 Publication ACS nano Abbreviated Journal
  Volume 17 Issue 6 Pages 5296-5305
  Keywords A1 Journal article; Engineering sciences. Technology; Antwerp X-ray Imaging and Spectroscopy (AXIS)
  Abstract A combination of synchrotron-based elemental anal-ysis and acute toxicity tests was used to investigate the biodistribution and adverse effects in Daphnia magna exposed to uranium nanoparticle (UNP, 3-5 nm) suspensions or to uranium reference (Uref) solutions. Speciation analysis revealed similar size distributions between exposures, and toxicity tests showed com-parable acute effects (UNP LC50: 402 mu g L-1 [336-484], Uref LC50: 268 mu g L-1 [229-315]). However, the uranium body burden was 3 -to 5-fold greater in UNP-exposed daphnids, and analysis of survival as a function of body burden revealed a similar to 5-fold higher specific toxicity from the Uref exposure. High-resolution X-ray fluorescence elemental maps of intact, whole daphnids from sublethal, acute exposures of both treatments revealed high uranium accumulation onto the gills (epipodites) as well as within the hepatic ceca and the intestinal lumen. Uranium uptake into the hemolymph circulatory system was inferred from signals observed in organs such as the heart and the maxillary gland. The substantial uptake in the maxillary gland and the associated nephridium suggests that these organs play a role in uranium removal from the hemolymph and subsequent excretion. Uranium was also observed associated with the embryos and the remnants of the chorion, suggesting uptake in the offspring. The identification of target organs and tissues is of major importance to the understanding of uranium and UNP toxicity and exposure characterization that should ultimately contribute to reducing uncertainties in related environmental impact and risk assessments.
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  Language Wos 000960129800001 Publication Date 2023-03-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1936-0851 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 17.1 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 17.1; 2023 IF: 13.942
  Call Number UA @ admin @ c:irua:196061 Serial 8631
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Author Torun, E.; Paleari, F.; Milošević, M.V.; Wirtz, L.; Sevik, C.
  Title Intrinsic control of interlayer exciton generation in Van der Waals materials via Janus layers Type A1 Journal article
  Year 2023 Publication Nano letters Abbreviated Journal
  Volume 23 Issue 8 Pages 3159-3166
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract We demonstrate the possibility of engineering the optical properties of transition metal dichalcogenide heterobilayers when one of the constitutive layers has a Janus structure. We investigate different MoS2@Janus layer combinations using first-principles methods including excitons and exciton-phonon coupling. The direction of the intrinsic electric field from the Janus layer modifies the electronic band alignments and, consequently, the energy separation between dark interlayer exciton states and bright in-plane excitons. We find that in-plane lattice vibrations strongly couple the two states, so that exciton-phonon scattering may be a viable generation mechanism for interlayer excitons upon light absorption. In particular, in the case of MoS2@WSSe, the energy separation of the low-lying interlayer exciton from the in-plane exciton is resonant with the transverse optical phonon modes (40 meV). We thus identify this heterobilayer as a prime candidate for efficient generation of charge-separated electron-hole pairs.
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  Language Wos 000969732100001 Publication Date 2023-04-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1530-6984 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 10.8 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 10.8; 2023 IF: 12.712
  Call Number UA @ admin @ c:irua:196034 Serial 8118
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Author van der Sluijs, M.M.; Salzmann, B.B.V.; Arenas Esteban, D.; Li, C.; Jannis, D.; Brafine, L.C.; Laning, T.D.; Reinders, J.W.C.; Hijmans, N.S.A.; Moes, J.R.; Verbeeck, J.; Bals, S.; Vanmaekelbergh, D.
  Title Study of the Mechanism and Increasing Crystallinity in the Self-Templated Growth of Ultrathin PbS Nanosheets Type A1 Journal article
  Year 2023 Publication Chemistry of materials Abbreviated Journal
  Volume Issue Pages
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Colloidal 2D semiconductor nanocrystals, the analogue of solid-state quantum wells, have attracted strong interest in material science and physics. Molar quantities of suspended quantum objects with spectrally pure absorption and emission can be synthesized. For the visible region, CdSe nanoplatelets with atomically precise thickness and tailorable emission have been (almost) perfected. For the near-infrared region, PbS nanosheets (NSs) hold strong promise, but the photoluminescence quantum yield is low and many questions on the crystallinity, atomic structure, intriguing rectangular shape, and formation mechanism remain to be answered. Here, we report on a detailed investigation of the PbS NSs prepared with a lead thiocyanate single source precursor. Atomically resolved HAADF-STEM imaging reveals the presence of defects and small cubic domains in the deformed orthorhombic PbS crystal lattice. Moreover, variations in thickness are observed in the NSs, but only in steps of 2 PbS monolayers. To study the reaction mechanism, a synthesis at a lower temperature allowed for the study of reaction intermediates. Specifically, we studied the evolution of pseudo-crystalline templates towards mature, crystalline PbS NSs. We propose a self-induced templating mechanism based on an oleylamine-lead-thiocyanate (OLAM-Pb-SCN) complex with two Pb-SCN units as a building block; the interactions between the long-chain ligands regulate the crystal structure and possibly the lateral dimensions.
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  Language Wos 000959572100001 Publication Date 2023-03-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 8.6 Times cited 2 Open Access OpenAccess
  Notes H2020 Research Infrastructures, 731019 ; H2020 European Research Council, 692691 815128 ; Nederlandse Organisatie voor Wetenschappelijk Onderzoek, 715.016.002 ; Approved Most recent IF: 8.6; 2023 IF: 9.466
  Call Number EMAT @ emat @c:irua:195894 Serial 7255
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Author Morais, E.; Delikonstantis, E.; Scapinello, M.; Smith, G.; Stefanidis, G.D.; Bogaerts, A.
  Title Methane coupling in nanosecond pulsed plasmas: Correlation between temperature and pressure and effects on product selectivity Type A1 Journal article
  Year 2023 Publication Chemical engineering journal Abbreviated Journal
  Volume 462 Issue Pages 142227
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We present a zero-dimensional kinetic model to characterise specifically the gas-phase dynamics of methane

conversion in a nanosecond pulsed discharge (NPD) plasma reactor. The model includes a systematic approach to

capture the nanoscale power discharges and the rapid ensuing changes in electric field, gas and electron temperature,

as well as species densities. The effects of gas temperature and reactor pressure on gas conversion and

product selectivity are extensively investigated and validated against experimental work. We discuss the

important reaction pathways and provide an analysis of the dynamics of the heating and cooling mechanisms. H

radicals are found to be the most populous plasma species and they participate in hydrogenation and dehydrogenation

reactions, which are the dominant recombination reactions leading to C2H4 and C2H2 as main

products (depending on the pressure).
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  Language Wos 000983631500001 Publication Date 2023-03-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1385-8947 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 15.1 Times cited Open Access OpenAccess
  Notes We gratefully acknowledge financial support by the Flemish Government through the Moonshot cSBO project “Power-to-Olefins” (P2O; HBC.2020.2620). Approved Most recent IF: 15.1; 2023 IF: 6.216
  Call Number PLASMANT @ plasmant @c:irua:195881 Serial 7246
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Author de la Encarnación, C.; Jungwirth, F.; Vila-Liarte, D.; Renero-Lecuna, C.; Kavak, S.; Orue, I.; Wilhelm, C.; Bals, S.; Henriksen-Lacey, M.; Jimenez de Aberasturi, D.; Liz-Marzán, L.M.
  Title Hybrid core–shell nanoparticles for cell-specific magnetic separation and photothermal heating Type A1 Journal article
  Year 2023 Publication Journal of materials chemistry B : materials for biology and medicine Abbreviated Journal
  Volume Issue Pages
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Hyperthermia, as the process of heating a malignant site above 42 °C to trigger cell death, has emerged as an effective and selective cancer therapy strategy. Various modalities of hyperthermia have been proposed, among which magnetic and photothermal hyperthermia are known to benefit from the use of nanomaterials. In this context, we introduce herein a hybrid colloidal nanostructure comprising plasmonic gold nanorods (AuNRs) covered by a silica shell, onto which iron oxide nanoparticles (IONPs) are subsequently grown. The resulting hybrid nanostructures are responsive to both external magnetic fields and near-infrared irradiation. As a result, they can be applied for the targeted magnetic separation of selected cell populations – upon targeting by antibody functionalization – as well as for photothermal heating. Through this combined functionality, the therapeutic effect of photothermal heating can be enhanced. We demonstrate both the fabrication of the hybrid system and its application for targeted photothermal hyperthermia of human glioblastoma cells.
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  Language Wos 000968908400001 Publication Date 2023-04-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2050-750X ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 7 Times cited 1 Open Access OpenAccess
  Notes Ministerio de Ciencia e Innovación, PID2019-108854RA-I00 ; H2020 European Research Council, ERC AdG 787510, 4DBIOSERS ERC CoG 815128, REALNANO ; Fonds Wetenschappelijk Onderzoek, PhD research grant 1181122N ; Approved Most recent IF: 7; 2023 IF: 4.543
  Call Number EMAT @ emat @c:irua:195879 Serial 7261
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Author Vervloessem, E.; Gromov, M.; De Geyter, N.; Bogaerts, A.; Gorbanev, Y.; Nikiforov, A.
  Title NH3and HNOxFormation and Loss in Nitrogen Fixation from Air with Water Vapor by Nonequilibrium Plasma Type A1 Journal article
  Year 2023 Publication ACS Sustainable Chemistry and Engineering Abbreviated Journal
  Volume 11 Issue 10 Pages 4289-4298
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The current global energy crisis indicated that increasing our

insight into nonfossil fuel nitrogen fixation pathways for synthetic fertilizer

production is more crucial than ever. Nonequilibrium plasma is a good candidate

because it can use N2 or air as a N source and water directly as a H source, instead

of H2 or fossil fuel (CH4). In this work, we investigate NH3 gas phase formation

pathways from humid N2 and especially humid air up to 2.4 mol % H2O (100%

relative humidity at 20 °C) by optical emission spectroscopy and Fouriertransform

infrared spectroscopy. We demonstrate that the nitrogen fixation

capacity is increased when water vapor is added, as this enables HNO2 and NH3

production in both N2 and air. However, we identified a significant loss

mechanism for NH3 and HNO2 that occurs in systems where these species are

synthesized simultaneously; i.e., downstream from the plasma, HNO2 reacts with NH3 to form NH4NO2, which rapidly decomposes

into N2 and H2O. We also discuss approaches to prevent this loss mechanism, as it reduces the effective nitrogen fixation when not

properly addressed and therefore should be considered in future works aimed at optimizing plasma-based N2 fixation. In-line removal

of HNO2 or direct solvation in liquid are two proposed strategies to suppress this loss mechanism. Indeed, using liquid H2O is

beneficial for accumulation of the N2 fixation products. Finally, in humid air, we also produce NH4NO3, from the reaction of HNO3

with NH3, which is of direct interest for fertilizer application.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000953337700001 Publication Date 2023-03-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2168-0485 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 8.4 Times cited Open Access OpenAccess
  Notes This research is supported by the Excellence of Science FWOFNRS project (NITROPLASM, FWO grant ID GoF9618n, EOS ID 30505023), the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant No. 810182 − SCOPE ERC Synergy project), and the Fund for Scientific Research (FWO) Flanders Bioeconomy project (grant No. G0G2322N), funded by the European Union-NextGenerationEU. Approved Most recent IF: 8.4; 2023 IF: 5.951
  Call Number PLASMANT @ plasmant @c:irua:195878 Serial 7254
Permanent link to this record
 

 
Author Andersen, Ja.; Holm, Mc.; van 't Veer, K.; Christensen, Jm.; Østberg, M.; Bogaerts, A.; Jensen, Ad.
  Title Plasma-catalytic ammonia synthesis in a dielectric barrier discharge reactor: A combined experimental study and kinetic modeling Type A1 Journal article
  Year 2023 Publication Chemical engineering journal Abbreviated Journal
  Volume 457 Issue Pages 141294
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Plasma-catalytic ammonia synthesis in a dielectric barrier discharge reactor has emerged as a possible route for electrification of nitrogen fixation. In this study, we use a combination of experiments and a plasma kinetic model to investigate the ammonia synthesis from N2 and H2, both with and without a solid packing material in the plasma zone. The effect of plasma power, feed flow rate, N2:H2 feed ratio, gas residence time, temperature, and packing material (MgAl2O4 alone or impregnated with Co or Ru) on the ammonia synthesis rate were examined in the experiments. The kinetic model was employed to improve our understanding of the ammonia formation pathways and identify possible changes in these pathways when altering the N2:H2 feed ratio. A higher NH3 synthesis rate was achieved when increasing the feed flow rate, as well as when increasing the gas tem-perature from 100 to 200 ◦C when a packing material was present in the plasma. At the elevated temperature of 200 ◦C, an optimum in the NH3 synthesis rate was observed at an equimolar feed ratio (N2:H2 =1:1) for the plasma alone and MgAl2O4, while a N2-rich feed was favored for Ru/MgAl2O4 and Co/MgAl2O4. The optimum in the synthesis rate with the N2-rich feed, where high energy electrons are more likely to collide with N2, suggests that the rate-limiting step is the dissociation of N2 in the gas phase. This is supported by the kinetic model when packing material was used. However, for the plasma alone, the model found that the N2 dissociation is only rate limiting in H2-rich feeds, whereas the limited access to H in N2-rich feeds makes the hydrogenation of N species limiting.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001058978000001 Publication Date 2023-01-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1385-8947 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 15.1 Times cited Open Access OpenAccess
  Notes We thank Topsoe A/S for providing the catalytic materials used in the study, the research group PLASMANT (University of Antwerp) for sharing their plasma kinetic model and allocating time on their cluster for the calculations, and the Department of Chemical and Biochemical Engineering (Technical University of Denmark) for funding the project. Approved Most recent IF: 15.1; 2023 IF: 6.216
  Call Number PLASMANT @ plasmant @c:irua:195877 Serial 7234
Permanent link to this record
 

 
Author Detamornrat, U.; Parrilla, M.; Domínguez-Robles, J.; Anjani, Q.K.; Larrañeta, E.; De Wael, K.; Donnelly, R.F.
  Title Transdermal on-demand drug delivery based on an iontophoretic hollow microneedle array system Type A1 Journal article
  Year 2023 Publication Lab on a chip Abbreviated Journal
  Volume 23 Issue 9 Pages 2304-2315
  Keywords A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract Transdermal drug delivery has emerged as an alternative administration route for therapeutic drugs, overcoming current issues in oral and parenteral administration. However, this technology is hindered by the low permeability of the stratum corneum of the skin. In this work, we develop a synergic combination of two enhancing technologies to contribute to an improved and on-demand drug delivery through an iontophoretic system coupled with hollow microneedles (HMNs). For the first time, a polymeric HMN array coupled with integrated iontophoresis for the delivery of charged molecules and macromolecules (e.g. proteins) is devised. To prove the concept, methylene blue, fluorescein sodium, lidocaine hydrochloride, and bovine serum albumin-fluorescein isothiocyanate conjugate (BSA-FITC) were first tested in an in vitro setup using 1.5% agarose gel model. Subsequently, the ex vivo drug permeation study using a Franz diffusion cell was conducted, exhibiting a 61-fold, 43-fold, 54-fold, and 17-fold increment of the permeation of methylene blue, fluorescein sodium, lidocaine hydrochloride, and BSA-FITC, respectively, during the application of 1 mA cm(-2) current for 6 h. Moreover, the total amount of drug delivered (i.e. in the skin and receptor compartment) was analysed to untangle the different delivery profiles according to the types of molecule. Finally, the integration of the anode and cathode into an iontophoretic hollow microneedle array system (IHMAS) offers the full miniaturisation of the concept. Overall, the IHMAS device provides a versatile wearable technology for transdermal on-demand drug delivery that can improve the administration of personalised doses, and potentially enhance precision medicine.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000971513000001 Publication Date 2023-04-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1473-0197 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 6.1 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 6.1; 2023 IF: 6.045
  Call Number UA @ admin @ c:irua:195781 Serial 8946
Permanent link to this record
 

 
Author Krishnamurthy, S.C.; Arseenko, M.; Kashiwar, A.; Dufour, P.; Marchal, Y.; Delahaye, J.; Idrissi, H.; Pardoen, T.; Mertens, A.; Simar, A.
  Title Controlled precipitation in a new Al-Mg-Sc alloy for enhanced corrosion behavior while maintaining the mechanical performance Type A1 Journal article
  Year 2023 Publication Materials characterization Abbreviated Journal
  Volume 200 Issue Pages 112886-11
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The hot working of 5xxx series alloys with Mg ≥3.5 wt% is a concern due to the precipitation of β (Al3Mg2) phase at grain boundaries favoring Inter Granular Corrosion (IGC). The mechanical and corrosion properties of a new 5028-H116 Al-Mg-Sc alloy under various β precipitates distribution is analyzed by imposing different cooling rates from the hot forming temperature (i.e. 325 °C). The mechanical properties are maintained regardless of the heat treatment. However, the different nucleation sites and volume fractions of β precipitates for different cooling rates critically affect IGC. Controlled furnace cooling after the 325 °C heat treatment is ideal in 5028-H116 alloy to reduce susceptibility to IGC after sensitization.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000977059100001 Publication Date 2023-04-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1044-5803 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 4.7 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 4.7; 2023 IF: 2.714
  Call Number UA @ admin @ c:irua:195598 Serial 7291
Permanent link to this record
 

 
Author Van Echelpoel, R.; Parrilla, M.; Sleegers, N.; Thiruvottriyur Shanmugam, S.; van Nuijs, A.L.N.; Slosse, A.; Van Durme, F.; De Wael, K.
  Title Validated portable device for the qualitative and quantitative electrochemical detection of MDMA ready for on-site use Type A1 Journal article
  Year 2023 Publication Microchemical journal Abbreviated Journal
  Volume 190 Issue Pages 108693-10
  Keywords A1 Journal article; Engineering sciences. Technology; Toxicological Centre; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract Identifying and quantifying 3,4-methyl​enedioxy​methamphetamine (MDMA) on-site in suspected illicit drug samples, whether it be at recreational settings or manufacturing sites, is a major challenge for law enforcement agencies (LEAs). Various analytical techniques exist to fulfil this goal, e.g. colourimetry and portable spectroscopic techniques, each having its specific limitations (e.g. low accuracy, fluorescence, no quantification) and strengths (e.g. fast, easy to use). In this work, for the first time, an electrochemical MDMA sensor is presented to become a detection tool that can realistically be used on-site. More specifically, the use of a single buffer solution and an unmodified screen-printed electrode, along with the integration of a data analysis algorithm and mobile application permits the straightforward on-site identification and quantification of MDMA in suspicious samples. Multiple studies investigating different parameters, including pH, concentration, reproducibility, temperature and binary mixture analyses, were executed. To fully understand all the occurring redox processes, liquid chromatography coupled with high-resolution mass spectrometry analysis of partially electrolyzed MDMA samples was performed unravelling oxidation of the methylenedioxy group. Validation of the methodology was executed on 15 MDMA street samples analysed by gas chromatography coupled with mass spectrometry and compared with the performance of a commercial portable Raman and Attenuated Total Reflection Fourier Transform Infrared Spectroscopy (ATR-FTIR) device. The novel methodology outperformed the spectroscopic techniques, correctly identifying all 15 street samples. Additionally, the electrochemical sensor predicted the purity of the tablets with a mean absolute error of 2.3%. Overall, this new, electrochemical detection strategy provides LEAs the rapid, low-cost, on-site detection and quantification of MDMA in suspicious samples, without requiring specialized training.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000977060400001 Publication Date 2023-03-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0026-265x; 0026-265x ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 4.8 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 4.8; 2023 IF: 3.034
  Call Number UA @ admin @ c:irua:195415 Serial 8952
Permanent link to this record
 

 
Author Eshtehardi, H.A.; van 't Veer, K.; Delplancke, M.-P.; Reniers, F.; Bogaerts, A.
  Title Postplasma Catalytic Model for NO Production: Revealing the Underlying Mechanisms to Improve the Process Efficiency Type A1 Journal article
  Year 2023 Publication ACS Sustainable Chemistry and Engineering Abbreviated Journal
  Volume 11 Issue 5 Pages 1720-1733
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Plasma catalysis is emerging for plasma-assisted gas conversion processes. However, the underlying mechanisms of plasma catalysis are poorly understood. In this work, we present a 1D heterogeneous catalysis model with axial dispersion (i.e., accounting for back-mixing and molecular diffusion of fluid elements in the process stream in the axial direction), for plasma-catalytic NO production from N2/O2 mixtures. We investigate the concentration and reaction rates of each species formed as a function of time and position across the catalyst, in order to determine the underlying mechanisms. To obtain insights into how the performance of the process can be further improved, we also study how changes in the postplasma gas flow composition entering the catalyst bed and in the operation conditions of the catalytic stage affect the performance of NO production.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000926412800001 Publication Date 2023-02-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2168-0485 ISBN Additional Links (down) UA library record; WoS full record
  Impact Factor 8.4 Times cited Open Access OpenAccess
  Notes Fonds Wetenschappelijk Onderzoek, 30505023 GoF9618n ; Fonds De La Recherche Scientifique FNRS, 30505023 GoF9618n ; H2020 European Research Council, 810182 ; Approved Most recent IF: 8.4; 2023 IF: 5.951
  Call Number PLASMANT @ plasmant @c:irua:195377 Serial 7241
Permanent link to this record
 

 
Author Eshtehardi, H.A.; Van ‘t Veer, K.; Delplancke, M.-P.; Reniers, F.; Bogaerts, A.
  Title Postplasma Catalytic Model for NO Production: Revealing the Underlying Mechanisms to Improve the Process Efficiency Type A1 Journal article
  Year 2023 Publication ACS Sustainable Chemistry and Engineering Abbreviated Journal
  Volume 11 Issue 5 Pages 1720-1733
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Plasma catalysis is emerging for plasma-assisted gas conversion

processes. However, the underlying mechanisms of plasma catalysis are poorly

understood. In this work, we present a 1D heterogeneous catalysis model with axial

dispersion (i.e., accounting for back-mixing and molecular diffusion of fluid elements in

the process stream in the axial direction), for plasma-catalytic NO production from

N2/O2 mixtures. We investigate the concentration and reaction rates of each species

formed as a function of time and position across the catalyst, in order to determine the

underlying mechanisms. To obtain insights into how the performance of the process

can be further improved, we also study how changes in the postplasma gas flow

composition entering the catalyst bed and in the operation conditions of the catalytic

stage affect the performance of NO production.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000926412800001 Publication Date 2023-02-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2168-0485 ISBN Additional Links (down) UA library record; WoS full record
  Impact Factor 8.4 Times cited Open Access OpenAccess
  Notes This research was supported by the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023) and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No. 810182 − SCOPE ERC Synergy project). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. Approved Most recent IF: 8.4; 2023 IF: 5.951
  Call Number PLASMANT @ plasmant @c:irua:195377 Serial 7257
Permanent link to this record
 

 
Author Eshtehardi, H.A.; Van ‘t Veer, K.; Delplancke, M.-P.; Reniers, F.; Bogaerts, A.
  Title Postplasma Catalytic Model for NO Production: Revealing the Underlying Mechanisms to Improve the Process Efficiency Type A1 Journal article
  Year 2023 Publication ACS Sustainable Chemistry and Engineering Abbreviated Journal
  Volume 11 Issue 5 Pages 1720-1733
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Plasma catalysis is emerging for plasma-assisted gas conversion

processes. However, the underlying mechanisms of plasma catalysis are poorly

understood. In this work, we present a 1D heterogeneous catalysis model with axial

dispersion (i.e., accounting for back-mixing and molecular diffusion of fluid elements in

the process stream in the axial direction), for plasma-catalytic NO production from

N2/O2 mixtures. We investigate the concentration and reaction rates of each species

formed as a function of time and position across the catalyst, in order to determine the

underlying mechanisms. To obtain insights into how the performance of the process

can be further improved, we also study how changes in the postplasma gas flow

composition entering the catalyst bed and in the operation conditions of the catalytic

stage affect the performance of NO production.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000926412800001 Publication Date 2023-02-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2168-0485 ISBN Additional Links (down) UA library record; WoS full record
  Impact Factor 8.4 Times cited Open Access OpenAccess
  Notes Fonds Wetenschappelijk Onderzoek, 30505023 GoF9618n ; Fonds De La Recherche Scientifique – FNRS, 30505023 GoF9618n ; H2020 European Research Council, 810182 ; Approved Most recent IF: 8.4; 2023 IF: 5.951
  Call Number PLASMANT @ plasmant @c:irua:195377 Serial 7258
Permanent link to this record
 

 
Author Bhatia, H.; Martin, C.; Keshavarz, M.; Dovgaliuk, I.; Schrenker, N.J.; Ottesen, M.; Qiu, W.; Fron, E.; Bremholm, M.; Van de Vondel, J.; Bals, S.; Roeffaers, M.B.J.; Hofkens, J.; Debroye, E.
  Title Deciphering the role of water in promoting the optoelectronic performance of surface-engineered lead halide perovskite nanocrystals Type A1 Journal article
  Year 2023 Publication ACS applied materials and interfaces Abbreviated Journal
  Volume 15 Issue 5 Pages 7294-7307
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Lead halide perovskites are promising candidates for applicability is limited by their structural instability toward moisture. Although a deliberate addition of water to the precursor solution has recently been shown to improve the crystallinity and optical properties of perovskites, the corresponding thin films still do not exhibit a near-unity quantum yield. Herein, we report that the direct addition of a minute amount of water to post-treated substantially enhances the stability while achieving a 95% photoluminescence quantum yield in a NC thin film. We unveil the mechanism of how moisture assists in the formation of an additional NH4Br component. Alongside, we demonstrate the crucial role of moisture in assisting localized etching of the perovskite crystal, facilitating the partial incorporation of NH4+, which is key for improved performance under ambient conditions. Finally, as a proof-of-concept, the application of post-treated and watertreated perovskites is tested in LEDs, with the latter exhibiting a superior performance, offering opportunities toward commercial application in moisture-stable optoelectronics.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000931729400001 Publication Date 2023-01-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1944-8244 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 9.5 Times cited 3 Open Access Not_Open_Access
  Notes H.B. would like to express her sincere gratitude to Dr. Peter Erk (formerly BASF SE, Germany) for very insightful discussions. The authors acknowledge financial support from the Research Foundation-Flanders (FWO grant numbers S002019N, 1514220N, G.0B39.15, G.0B49.15, G098319N, and ZW15_09-GOH6316) , the KU Leuven Research Fund (C14/19/079, iBOF-21-085 PERSIST, and STG/21/010) , the Flemish government through long-term structural funding Methusalem (CASAS2, Meth/15/04) , the Hercules Founda-tion (HER/11/14) , and the ERC through the Marie Curie ITN iSwitch Ph.D. fellowship to H.B. (grant number 642196) . C.M. acknowledges the financial support from grants PID2021-128761OA-C22 funded by MCIN/AEI/10.13039/501100011033 by the ?European Union? and SBPLY/21/180501/000127 funded by JCCM and by the EU through Fondo Europeo de Desarollo Regional? (FEDER) . Martin Bremholm and Martin Ottesen acknowledge funding from the Danish Council for Independent Research, Natural Sciences, under the Sapere Aude program (grant no. 7027-00077B) and VILLUM FONDEN through the Centre of Excellence for Dirac Materials (grant no. 11744) . Affiliation with the Center for Integrated Materials Research (iMAT) at Aarhus University is gratefully acknowledged.-N.J.S. acknowledges financial support from the research foundation Flanders (FWO) through a postdoctoral fellowship (FWO grant no. 1238622N) . S.B. acknowledges financial support from the European Commission by the ERC Consolidator grant REALNANO (no. 815128) . Approved Most recent IF: 9.5; 2023 IF: 7.504
  Call Number UA @ admin @ c:irua:195375 Serial 7293
Permanent link to this record
 

 
Author Smeyers, R.; Milošević, M.V.; Covaci, L.
  Title Strong gate-tunability of flat bands in bilayer graphene due to moiré encapsulation between hBN monolayers Type A1 Journal article
  Year 2023 Publication Nanoscale Abbreviated Journal
  Volume 15 Issue 9 Pages 4561-4569
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
  Abstract When using hexagonal boron-nitride (hBN) as a substrate for graphene, the resulting moire pattern creates secondary Dirac points. By encapsulating a multilayer graphene within aligned hBN sheets the controlled moire stacking may offer even richer benefits. Using advanced tight-binding simulations on atomistically-relaxed heterostructures, here we show that the gap at the secondary Dirac point can be opened in selected moire-stacking configurations, and is independent of any additional vertical gating of the heterostructure. On the other hand, gating can broadly tune the gap at the principal Dirac point, and may thereby strongly compress the first moire mini-band in width against the moire-induced gap at the secondary Dirac point. We reveal that in hBN-encapsulated bilayer graphene this novel mechanism can lead to isolated bands flatter than 10 meV under moderate gating, hence presenting a convenient pathway towards electronically-controlled strongly-correlated states on demand.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000933052600001 Publication Date 2023-02-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2040-3364; 2040-3372 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 6.7 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 6.7; 2023 IF: 7.367
  Call Number UA @ admin @ c:irua:195249 Serial 7340
Permanent link to this record
 

 
Author Craig, T.M.; Kadu, A.A.; Batenburg, K.J.; Bals, S.
  Title Real-time tilt undersampling optimization during electron tomography of beam sensitive samples using golden ratio scanning and RECAST3D Type A1 Journal article
  Year 2023 Publication Nanoscale Abbreviated Journal
  Volume 15 Issue 11 Pages 5391-5402
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Electron tomography is a widely used technique for 3D structural analysis of nanomaterials, but it can cause damage to samples due to high electron doses and long exposure times. To minimize such damage, researchers often reduce beam exposure by acquiring fewer projections through tilt undersampling. However, this approach can also introduce reconstruction artifacts due to insufficient sampling. Therefore, it is important to determine the optimal number of projections that minimizes both beam exposure and undersampling artifacts for accurate reconstructions of beam-sensitive samples. Current methods for determining this optimal number of projections involve acquiring and post-processing multiple reconstructions with different numbers of projections, which can be time-consuming and requires multiple samples due to sample damage. To improve this process, we propose a protocol that combines golden ratio scanning and quasi-3D reconstruction to estimate the optimal number of projections in real-time during a single acquisition. This protocol was validated using simulated and realistic nanoparticles, and was successfully applied to reconstruct two beam-sensitive metal–organic framework complexes.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000937908900001 Publication Date 2023-02-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2040-3364 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 6.7 Times cited 1 Open Access OpenAccess
  Notes H2020 European Research Council, 815128 ; H2020 Marie Skłodowska-Curie Actions, 860942 ; Approved Most recent IF: 6.7; 2023 IF: 7.367
  Call Number EMAT @ emat @c:irua:195235 Serial 7260
Permanent link to this record
 

 
Author Andersen, Ja.; van 't Veer, K.; Christensen, Jm.; Østberg, M.; Bogaerts, A.; Jensen, Ad.
  Title Ammonia decomposition in a dielectric barrier discharge plasma: Insights from experiments and kinetic modeling Type A1 Journal article
  Year 2023 Publication Chemical engineering science Abbreviated Journal
  Volume 271 Issue Pages 118550
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Utilizing ammonia as a storage medium for hydrogen is currently receiving increased attention. A possible method to retrieve the hydrogen is by plasma-catalytic decomposition. In this work, we combined an experimental study, using a dielectric barrier discharge plasma reactor, with a plasma kinetic model, to get insights into the decomposition mechanism. The experimental results revealed a similar effect on the ammonia conversion when changing the flow rate and power, where increasing the specific energy input (higher power or lower flow rate) gave an increased conversion. A conversion as high as 82 % was achieved at a specific energy input of 18 kJ/Nl. Furthermore, when changing the discharge volume from 31 to 10 cm3, a change in the plasma distribution factor from 0.2 to 0.1 was needed in the model to best describe the conversions of the experiments. This means that a smaller plasma volume caused a higher transfer of energy through micro-discharges (non-uniform plasma), which was found to promote the decomposition of ammonia. These results indicate that it is the collisions between NH3 and the high-energy electrons that initiate the decomposition. Moreover, the rate of ammonia destruction was found by the model to be in the order of 1022 molecules/(cm3 s) during the micro-discharges, which is 5 to 6 orders of magnitude higher than in the afterglows. A considerable re-formation of ammonia was found to take place in the afterglows, limiting the overall conversion. In addition, the model revealed that implementation of packing material in the plasma introduced high concentrations of surface-bound hydrogen atoms, which introduced an additional ammonia re-formation pathway through an Eley-Rideal reaction with gas phase NH2. Furthermore, a more uniform plasma is predicted in the presence of MgAl2O4, which leads to a lower average electron energy during micro-discharges and a lower conversion (37 %) at a comparable residence time for the plasma alone (51 %).
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000946293200001 Publication Date 2023-02-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0009-2509 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 4.7 Times cited Open Access OpenAccess
  Notes We thank Topsoe A/S for providing the packing material used, the research group PLASMANT (UAntwerpen) for sharing their plasma kinetic model and allowing us to perform the calculations on their clusters, and the Department of Chemical and Biochemical Engineering, Technical University of Denmark, for funding this project. Approved Most recent IF: 4.7; 2023 IF: 2.895
  Call Number PLASMANT @ plasmant @c:irua:195204 Serial 7237
Permanent link to this record
 

 
Author Rivas-Murias, B.; Testa-Anta, M.; Skorikov, A.S.; Comesana-Hermo, M.; Bals, S.; Salgueirino, V.
  Title Interfaceless exchange bias in CoFe₂O₄ nanocrystals Type A1 Journal article
  Year 2023 Publication Nano letters Abbreviated Journal
  Volume 23 Issue 5 Pages 1688-1695
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Oxidized cobalt ferrite nanocrystals with a modified distribution of the magnetic cations in their spinel structure give place to an unusual exchange-coupled system with a double reversal of the magnetization, exchange bias, and increased coercivity, but without the presence of a clear physical interface that delimits two well-differentiated magnetic phases. More specifically, the partial oxidation of cobalt cations and the formation of Fe vacancies at the surface region entail the formation of a cobalt-rich mixed ferrite spinel, which is strongly pinned by the ferrimagnetic background from the cobalt ferrite lattice. This particular configuration of exchange-biased magnetic behavior, involving two different magnetic phases but without the occurrence of a crystallographically coherent interface, revolu-tionizes the established concept of exchange bias phenomenology.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000940892000001 Publication Date 2023-02-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1530-6984 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 10.8 Times cited 4 Open Access OpenAccess
  Notes M.T.-A. acknowledges financial support from the Spanish Ministerio de Ciencia e Innovaci?n under grant FJC2021- 046680-I. S.B. acknowledges funding from the European Research Council under the European Union?s Horizon 2020 research and innovation program (ERC Consolidator Grant N o 815128 REALNANO) . V.S. acknowledges the financial support from the Spanish Ministerio de Ciencia e Innovaci?n under project PID2020-119242-I00 and from the European Union under project H2020-MSCA-RISE-2019 PEPSA-MATE (project number 872233) . Approved Most recent IF: 10.8; 2023 IF: 12.712
  Call Number UA @ admin @ c:irua:195186 Serial 7315
Permanent link to this record
 

 
Author Soenen, M.; Bacaksiz, C.; Menezes, R.M.; Milošević, M.V.
  Title Stacking-dependent topological magnons in bilayer CrI₃ Type A1 Journal article
  Year 2023 Publication Physical review materials Abbreviated Journal
  Volume 7 Issue 2 Pages 024421-10
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Motivated by the potential of atomically thin magnets towards achieving tunable high-frequency magnonics, we detail the spin-wave dispersion of bilayer CrI3. We demonstrate that the magnonic behavior of the bilayer strongly depends on its stacking configuration and the interlayer magnetic ordering, where a topological band gap opens in the dispersion caused by the Dzyaloshinskii-Moriya and Kitaev interactions, classifying bilayer CrI3 as a topological magnon insulator. We further reveal that both the size and the topology of the band gap in a CrI3 bilayer with an antiferromagnetic interlayer ordering are tunable by an external magnetic field.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000943169600001 Publication Date 2023-02-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2475-9953 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 3.4 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 3.4; 2023 IF: NA
  Call Number UA @ admin @ c:irua:195179 Serial 7338
Permanent link to this record
 

 
Author Yang, C.-Q.; Zhi, R.; Rothmann, M.U.; Xu, Y.-Y.; Li, L.-Q.; Hu, Z.-Y.; Pang, S.; Cheng, Y.-B.; Van Tendeloo, G.; Li, W.
  Title Unveiling the intrinsic structure and intragrain defects of organic-inorganic hybrid perovskites by ultralow dose transmission electron microscopy Type A1 Journal article
  Year 2023 Publication Advanced materials Abbreviated Journal
  Volume Issue Pages 1-9
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Transmission electron microscopy (TEM) is a powerful tool for unveiling the structural, compositional, and electronic properties of organic-inorganic hybrid perovskites (OIHPs) at the atomic to micrometer length scales. However, the structural and compositional instability of OIHPs under electron beam radiation results in misunderstandings of the microscopic structure-property-performance relationship in OIHP devices. Here, ultralow dose TEM is utilized to identify the mechanism of the electron-beam-induced changes in OHIPs and clarify the cumulative electron dose thresholds (critical dose) of different commercially interesting state-of-the-art OIHPs, including methylammonium lead iodide (MAPbI(3)), formamidinium lead iodide (FAPbI(3)), FA(0.83)Cs(0.17)PbI(3), FA(0.15)Cs(0.85)PbI(3), and MAPb(0.5)Sn(0.5)I(3). The critical dose is related to the composition of the OIHPs, with FA(0.15)Cs(0.85)PbI(3) having the highest critical dose of approximate to 84 e angstrom(-2) and FA(0.83)Cs(0.17)PbI(3) having the lowest critical dose of approximate to 4.2 e angstrom(-2). The electron beam irradiation results in the formation of a superstructure with ordered I and FA vacancies along (c), as identified from the three major crystal axes in cubic FAPbI(3), (c), (c), and (c). The intragrain planar defects in FAPbI(3) are stable, while an obvious modification is observed in FA(0.83)Cs(0.17)PbI(3) under continuous electron beam exposure. This information can serve as a guide for ensuring a reliable understanding of the microstructure of OIHP optoelectronic devices by TEM.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000950461600001 Publication Date 2023-02-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0935-9648 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 29.4 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 29.4; 2023 IF: 19.791
  Call Number UA @ admin @ c:irua:195116 Serial 7349
Permanent link to this record
 

 
Author Harrabi, K.; Gasmi, K.; Mekki, A.; Bahlouli, H.; Kunwar, S.; Milošević, M.V.
  Title Detection and measurement of picoseconds-pulsed laser energy using a NbTiN superconducting filament Type A1 Journal article
  Year 2023 Publication IEEE transactions on applied superconductivity Abbreviated Journal
  Volume 33 Issue 5 Pages 2400205-5
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract investigate non-equilibrium states created by a laser beam incident on a superconducting NbTiN filament subject to an electrical pulse at 4 K. In absence of the laser excitation, when the amplitude of the current pulse applied to the filament exceeds the critical current value, we monitored the delay time td that marks the collapse of the superconducting phase which is then followed by a voltage rise. We linked the delay time to the applied current using the time-dependent Ginzburg-Landau (TDGL) theory, which enabled us to deduce the cooling (or heat-removal) time from the fit to the experimental data. Subsequently, we exposed the filament biased with a current pulse close to its critical value to a focused laser beam, inducing a normal state in the impact region of the laser beam. We showed that the energy of the incident beam and the incurred delay time are related to each other by a simple expression, that enables direct measurement of incident beam energy by temporal monitoring of the transport response. This method can be extended for usage in single-photon detection regime, and be used for accurate calibration of an arbitrary light source.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000946265900016 Publication Date 2023-02-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1051-8223 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 1.8 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 1.8; 2023 IF: NA
  Call Number UA @ admin @ c:irua:195110 Serial 7295
Permanent link to this record
 

 
Author Fitawok, M.B.; Derudder, B.; Minale, A.S.; Van Passel, S.; Adgo, E.; Nyssen, J.
  Title Stakeholder perspectives on farmers' resistance towards urban land-use changes in Bahir Dar, Ethiopia Type A1 Journal article
  Year 2023 Publication Journal of land use science Abbreviated Journal
  Volume 18 Issue 1 Pages 25-38
  Keywords A1 Journal article; Engineering Management (ENM)
  Abstract Owing to growing uncontrolled land-use change and urban expansion, farmers in urban fringes are struggling to sustain their livelihood. Farmers have been expressing their dissatisfaction at different times. This study analyzes the stakeholders' perspectives on the causes and outcomes of farmers' resistance to land-use change and urban expansion processes by zooming in on Bahir Dar, Ethiopia. The paper is based on focus group discussions with farmers in the neighboring villages, local agricultural extension experts, and, subsequently, key informant interviews of local government officials. Juxtaposing farmers' and local experts' positions reveals that inadequate compensations during land expropriation, lack of good governance in the urban expansion process, and inaccessibility of infrastructures are primary reasons for the farmers' struggle against urban expansion in the urban fringes. This study provides insights into the consequences of unplanned urban development challenges and may inform research and policymaking on sustainable urban development in the area and beyond.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000936397600001 Publication Date 2023-02-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1747-423x; 1747-4248 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 3.2 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 3.2; 2023 IF: NA
  Call Number UA @ admin @ c:irua:195109 Serial 7368
Permanent link to this record
 

 
Author Moro, G.; Campos, R.; Daems, E.; Moretto, L.M.; De Wael, K.
  Title Haem-mediated albumin biosensing : towards voltammetric detection of PFOA Type A1 Journal article
  Year 2023 Publication Bioelectrochemistry: an international journal devoted to electrochemical aspects of biology and biological aspects of electrochemistry Abbreviated Journal
  Volume 152 Issue Pages 108428-7
  Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract The haem group is a promising redox probe for the design of albumin-based voltammetric sensors. Among the endogenous ligands carried by human serum albumin (hSA), haem is characterised by a reversible redox behaviour and its binding kinetics strongly depend on hSA’s conformation, which, in turn, depends on the presence of other ligands. In this work, the potential applicability of haem, especially hemin, as a redox probe was first tested in a proof-of-concept study using perfluorooctanoic acid (PFOA) as model analyte. PFOA is known to bind hSA by occupying Sudlow’s I site (FA7) which is spatially related to the haem-binding site (FA1). The latter undergoes a conformational change, which is expected to affect hemin’s binding kinetics. To verify this hypothesis, hemin:albumin complexes in the presence/absence of PFOA were first screened by UV–Vis spectroscopy. Once the complex formation was verified, haem was further characterised via electrochemical methods to estimate its electron transfer kinetics. The hemin:albumin:PFOA system was studied in solution, with the aim of describing the multiple equilibria at stake and designing an electrochemical assay for PFOA monitoring. This latter could be integrated with protein-based bioremediation approaches for the treatment of per- and polyfluoroalkyl substances polluted waters. Overall, our preliminary results show how hemin can be applied as a redox probe in albumin-based voltammetric sensing strategies.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000971630400001 Publication Date 2023-03-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1567-5394 ISBN Additional Links (down) UA library record; WoS full record
  Impact Factor 5 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 5; 2023 IF: 3.346
  Call Number UA @ admin @ c:irua:195069 Serial 8876
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