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Author | Han, I.; Song, I.S.; Choi, S.A.; Lee, T.; Yusupov, M.; Shaw, P.; Bogaerts, A.; Choi, E.H.; Ryu, J.J. | ||||
Title | Bioactive Nonthermal Biocompatible Plasma Enhances Migration on Human Gingival Fibroblasts | Type | A1 Journal article | ||
Year | 2023 | Publication | Advanced healthcare materials | Abbreviated Journal ![]() |
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Volume | 12 | Issue | 4 | Pages | 2200527 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | This study hypothesizes that the application of low-dose nonthermal biocompatible dielectric barrier discharge plasma (DBD-NBP) to human gingival fibroblasts (HGFs) will inhibit colony formation but not cell death and induce matrix metalloproteinase (MMP) expression, extracellular matrix (ECM) degradation, and subsequent cell migration, which can result in enhanced wound healing. HGFs treated with plasma for 3 min migrate to each other across the gap faster than those in the control and 5-min treatment groups on days 1 and 3. The plasma-treated HGFs show significantly high expression levels of the cell cycle arrest-related p21 gene and enhanced MMP activity. Focal adhesion kinase (FAK) mediated attenuation of wound healing or actin cytoskeleton rearrangement, and plasma-mediated reversal of this attenuation support the migratory effect of DBD-NBP. Further, this work performs computer simulations to investigate the effect of oxidation on the stability and conformation of the catalytic kinase domain (KD) of FAK. It is found that the oxidation of highly reactive amino acids (AAs) Cys427, Met442, Cys559, Met571, Met617, and Met643 changes the conformation and increases the structural flexibility of the FAK protein and thus modulates its function and activity. Low-dose DBD-NBP-induces host cell cycle arrest, ECM breakdown, and subsequent migration, thus contributing to the enhanced wound healing process. | ||||
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Language | Wos | 000897762100001 | Publication Date | 2022-11-14 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 2192-2640 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 10 | Times cited | Open Access | OpenAccess | |
Notes | National Research Foundation of Korea; Kementerian Pendidikan, 2020R1I1A1A01073071 2021R1A6A1A03038785 ; | Approved | Most recent IF: 10; 2023 IF: 5.11 | ||
Call Number | PLASMANT @ plasmant @c:irua:192804 | Serial | 7242 | ||
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Author | Cui, Z.; Hao, Y.; Jafarzadeh, A.; Li, S.; Bogaerts, A.; Li, L. | ||||
Title | The adsorption and decomposition of SF6 over defective and hydroxylated MgO surfaces: A DFT study | Type | A1 Journal article | ||
Year | 2023 | Publication | Surfaces and interfaces | Abbreviated Journal ![]() |
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Volume | 36 | Issue | Pages | 102602 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Plasma degradation is one of the most effective methods for the abatement of greenhouse gas sulfur hexafluoride (SF6). To evaluate the potential of MgO as a catalyst in plasma degradation, we investigate the catalytic properties of MgO on SF6 adsorption and activation by density functional theory (DFT) where the O-defective and hydroxylated surfaces are considered as two typical plasma-generated surfaces. Our results show that perfect MgO (001) and (111) surfaces cannot interact with SF6 and only physical adsorption happens. In case of Odefective MgO surfaces, the O vacancy is the most stable adsorption site. SF6 undergoes a decomposition to SF5 and F over the O-defective MgO (001) surface and undergoes an elongation of the bottom S-F bond over the Odefective (111) surface. Besides, SF6 shows a physically adsorption at the stepsite of the MgO (001) surface, accompanied by small changes in its bond angle and length. Furthermore, SF6 is found to be physically and chemically adsorbed over 0.5 and 1.0 ML (monolayer) H-covered O-terminated MgO (111) surfaces, respectively. The SF6 molecule undergoes a self-decomposition on the 1.0 ML hydroxylated surface via a surface bonding process. This study shows that defective and hydroxylated MgO surfaces have the surface capacities for SF6 activation, which shows that MgO has potential as packing material in SF6 waste treatment in packed-bed plasmas. |
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Language | Wos | 000916285000001 | Publication Date | 2022-12-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2468-0230 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.2 | Times cited | Open Access | OpenAccess | |
Notes | National Natural Science Foundation of China, 52207155 ; Fonds Wetenschappelijk Onderzoek; Vlaams Supercomputer Centrum; Vlaamse regering; | Approved | Most recent IF: 6.2; 2023 IF: NA | ||
Call Number | PLASMANT @ plasmant @c:irua:194364 | Serial | 7244 | ||
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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 ![]() |
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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 | 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 | Marchetti, A.; Gori, A.; Ferretti, A.M.; Esteban, D.A.; Bals, S.; Pigliacelli, C.; Metrangolo, P. | ||||
Title | Templated Out‐of‐Equilibrium Self‐Assembly of Branched Au Nanoshells | Type | A1 Journal article | ||
Year | 2023 | Publication | Small | Abbreviated Journal ![]() |
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Volume | Issue | Pages | 2206712 | ||
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Out-of-equilibrium self-assembly of metal nanoparticles (NPs) has been devised using different types of strategies and fuels, but the achievement of finite 3D structures with a controlled morphology through this assembly mode is still rare. Here we used a spherical peptide-gold superstructure (PAuSS) as a template to control the out-of-equilibrium self-assembly of Au NPs, obtaining a transient 3D branched Au-nanoshell (BAuNS) stabilized by sodium dodecyl sulphate (SDS). The BAuNS dismantled upon concentration gradient equilibration over time in the solution, leading to NPs disassembly. Notably, BAuNS assembly and disassembly favoured temporary interparticle plasmonic coupling, leading to a remarkable oscillation of their optical properties. | ||||
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Language | Wos | 000914725800001 | Publication Date | 2023-01-17 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 1613-6810 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 13.3 | Times cited | 1 | Open Access | OpenAccess |
Notes | European Research Council, ERC‐2017‐PoC MINIRES 789815 ERC‐2012‐StG_20111012 FOLDHALO 307108 815128 ; | Approved | Most recent IF: 13.3; 2023 IF: 8.643 | ||
Call Number | EMAT @ emat @c:irua:194299 | Serial | 7247 | ||
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Author | Chowdhury, M.S.; Rösch, E.L.; Esteban, D.A.; Janssen, K.-J.; Wolgast, F.; Ludwig, F.; Schilling, M.; Bals, S.; Viereck, T.; Lak, A. | ||||
Title | Decoupling the Characteristics of Magnetic Nanoparticles for Ultrahigh Sensitivity | Type | A1 Journal article | ||
Year | 2023 | Publication | Nano letters | Abbreviated Journal ![]() |
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Volume | 23 | Issue | 1 | Pages | 58-65 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Immunoassays exploiting magnetization dynamics of magnetic nanoparticles are highly promising for mix-and-measure, quantitative, and point-of-care diagnostics. However, how single-core magnetic nanoparticles can be employed to reduce particle concentration and concomitantly maximize assay sensitivity is not fully understood. Here, we design monodisperse Néel and Brownian relaxing magnetic nanocubes (MNCs) of different sizes and compositions. We provide insights into how to decouple physical properties of these MNCs to achieve ultrahigh sensitivity. We find that tri-component-based Zn0.06 Co0.80Fe2.14 O4 particles, with out-of-phase to initial magnetic susceptibility χ /χ ratio of 0.47 out of 0.50 for magnetically blocked ideal particles, show the ultrahigh magnetic sensitivity by providing rich magnetic particle spectroscopy (MPS) harmonics spectrum despite bearing lower saturation magnetization than di-component Zn0.1Fe2.9O4 having high saturation magnetization. The Zn0.06Co0.80Fe2.14O4 MNCs, coated with catechol-based polyethylene glycol ligands, measured by our benchtop MPS show three orders of magnitude better particle LOD than that of commercial nanoparticles of comparable size. | ||||
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Language | Wos | 000907816300001 | Publication Date | 2023-01-11 | |
Series Editor | Series Title | Abbreviated Series Title | |||
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 | 1 | Open Access | OpenAccess |
Notes | Deutsche Forschungsgemeinschaft, DFG RTG 1952 ; Joachim Herz Stiftung; H2020 Research Infrastructures, 823717 ; | Approved | Most recent IF: 10.8; 2023 IF: 12.712 | ||
Call Number | EMAT @ emat @c:irua:193406 | Serial | 7248 | ||
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Author | Daele, K.V.; Arenas‐Esteban, D.; Choukroun, D.; Hoekx, S.; Rossen, A.; Daems, N.; Pant, D.; Bals, S.; Breugelmans, T. | ||||
Title | Enhanced Pomegranate‐Structured SnO2Electrocatalysts for the Electrochemical CO2Reduction to Formate | Type | A1 Journal article | ||
Year | 2023 | Publication | ChemElectroChem | Abbreviated Journal ![]() |
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Volume | Issue | Pages | |||
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) | ||||
Abstract | Although most state-of-the-art Sn-based electrocatalysts yield promising results in terms of selectivity and catalyst activity, their stability remains insufficient to date. Here, we demonstrate the successful application of the recently developed pomegranate-structured SnO2 (Pom. SnO2) and SnO2@C (Pom. SnO2@C) nanocomposite electrocatalysts for the efficient electrochemical conversion of CO2 to formate. With an initial selectivity of 83 and 86% towards formate and an operating potential of -0.72 V and -0.64 V vs. RHE, respectively, these pomegranate SnO2 electrocatalysts are able to compete with most of the current state-of-the-art Sn-based electrocatalysts in terms of activity and selectivity. Given the importance of electrocatalyst stability, long-term experiments (24 h) were performed and a temporary loss in selectivity for the Pom. SnO2@C electrocatalyst was largely restored to its initial selectivity upon drying and exposure to air. Of all the used (24 h) electrocatalysts, the pomegranate SnO2@C had the highest selectivity over a time period of one hour, reaching an average recovered FE of 85%, while the commercial SnO2 and bare pomegranate SnO2 electrocatalysts reached an average of 79 and 80% FE towards formate, respectively. Furthermore, the pomegranate structure of Pom. SnO2@C was largely preserved due to the presence of the heterogeneous carbon shell, which acts as a protective layer, physically inhibiting particle segregation/pulverisation and agglomeration. | ||||
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Language | Wos | 000936694800001 | Publication Date | 2023-02-15 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 2196-0216 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 4 | Times cited | Open Access | OpenAccess | |
Notes | European Regional Development Fund, E2C 2S03-019 ; | Approved | Most recent IF: 4; 2023 IF: 4.136 | ||
Call Number | EMAT @ emat @c:irua:195228 | Serial | 7249 | ||
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Author | Van Alphen, S.; Hecimovic, A.; Kiefer, C.K.; Fantz, U.; Snyders, R.; Bogaerts, A. | ||||
Title | Modelling post-plasma quenching nozzles for improving the performance of CO2 microwave plasmas | Type | A1 Journal article | ||
Year | 2023 | Publication | Chemical engineering journal | Abbreviated Journal ![]() |
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Volume | 462 | Issue | Pages | 142217 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Given the ecological problems associated to the CO2 emissions of fossil fuels, plasma technology has gained interest for conversion of CO2 into value-added products. Microwave plasmas operating at atmospheric pressure have proven to be especially interesting, due to the high gas temperatures inside the reactor (i.e. up to 6000 K) allowing for efficient thermal dissociation of CO2 into CO and O2. However, the performance of these high temperature plasmas is limited by recombination of CO back into CO2 once the gas cools down in the afterglow. In this work, we computationally investigated several quenching nozzles, developed and experimentally tested by Hecimovic et al., [1] for their ability to quickly cool the gas after the plasma, thereby quenching the CO recombination reactions. Using a 3D computational fluid dynamics model and a quasi-1D chemical kinetics model, we reveal that a reactor without nozzle lacks gas mixing between hot gas in the center and cold gas near the reactor walls. Especially at low flow rates, where there is an inherent lack of convective cooling due to the low gas flow velocity, the temperature in the afterglow remains high (between 2000 and 3000 K) for a relatively long time (in the 0.1 s range). As shown by our quasi-1D chemical kinetics model, this results in a important loss of CO due to recombination reactions. Attaching a nozzle in the effluent of the reactor induces fast gas quenching right after the plasma. Indeed, it introduces (i) more convective cooling by forcing cool gas near the walls to mix with hot gas in the center of the reactor, as well as (ii) more conductive cooling through the water-cooled walls of the nozzle. Our model shows that gas quenching and the suppression of recombination reactions have more impact at low flow rates, where recombination is the most limiting factor in the conversion process. |
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Language | Wos | 000962382600001 | Publication Date | 2023-03-03 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 1385-8947 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 15.1 | 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), the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project), and through long-term structural funding (Methusalem). 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: 15.1; 2023 IF: 6.216 | ||
Call Number | PLASMANT @ plasmant @c:irua:195889 | Serial | 7250 | ||
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Author | Zhang, Z.; Lobato, I.; De Backer, A.; Van Aert, S.; Nellist, P. | ||||
Title | Fast generation of calculated ADF-EDX scattering cross-sections under channelling conditions | Type | A1 Journal article | ||
Year | 2023 | Publication | Ultramicroscopy | Abbreviated Journal ![]() |
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Volume | 246 | Issue | Pages | 113671 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Advanced materials often consist of multiple elements which are arranged in a complicated structure. Quantitative scanning transmission electron microscopy is useful to determine the composition and thickness of nanostructures at the atomic scale. However, significant difficulties remain to quantify mixed columns by comparing the resulting atomic resolution images and spectroscopy data with multislice simulations where dynamic scattering needs to be taken into account. The combination of the computationally intensive nature of these simulations and the enormous amount of possible mixed column configurations for a given composition indeed severely hamper the quantification process. To overcome these challenges, we here report the development of an incoherent non-linear method for the fast prediction of ADF-EDX scattering cross-sections of mixed columns under channelling conditions. We first explain the origin of the ADF and EDX incoherence from scattering physics suggesting a linear dependence between those two signals in the case of a high-angle ADF detector. Taking EDX as a perfect incoherent reference mode, we quantitatively examine the ADF longitudinal incoherence under different microscope conditions using multislice simulations. Based on incoherent imaging, the atomic lensing model previously developed for ADF is now expanded to EDX, which yields ADF-EDX scattering cross-section predictions in good agreement with multislice simulations for mixed columns in a core–shell nanoparticle and a high entropy alloy. The fast and accurate prediction of ADF-EDX scattering cross-sections opens up new opportunities to explore the wide range of ordering possibilities of heterogeneous materials with multiple elements. | ||||
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Corporate Author | Zezhong Zhang | Thesis | |||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000995063900001 | Publication Date | 2022-12-28 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 0304-3991 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.2 | Times cited | Open Access | OpenAccess | |
Notes | European Research Council 770887 PICOMETRICS; Fonds Wetenschappelijk Onderzoek No.G.0502.18N; Horizon 2020, 770887 ; Horizon 2020 Framework Programme; European Research Council, 823717 ESTEEM3 ; esteem3reported; esteem3JRa | Approved | Most recent IF: 2.2; 2023 IF: 2.843 | ||
Call Number | EMAT @ emat @c:irua:195890 | Serial | 7251 | ||
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Author | Liu, R.; Hao, Y.; Wang, T.; Wang, L.; Bogaerts, A.; Guo, H.; Yi, Y. | ||||
Title | Hybrid plasma-thermal system for methane conversion to ethylene and hydrogen | Type | A1 Journal article | ||
Year | 2023 | Publication | Chemical engineering journal | Abbreviated Journal ![]() |
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Volume | 463 | Issue | Pages | 142442 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | By combining dielectric barrier discharge plasma and external heating, we exploit a two-stage hybrid plasmathermal system (HPTS), i.e., a plasma stage followed by a thermal stage, for direct non-oxidative coupling of CH4 to C2H4 and H2, yielding a CH4 conversion of ca. 17 %. In the two-stage HPTS, the plasma first converts CH4 into C2H6 and C3H8, which in the thermal stage leads to a high C2H4 selectivity of ca. 63 % by pyrolysis, with H2 selectivity of ca. 64 %. |
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Language | Wos | 000953890500001 | Publication Date | 2023-03-16 | |
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ISSN | 1385-8947 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 15.1 | Times cited | Open Access | OpenAccess | |
Notes | This work was supported by the National Natural Science Foundation of China [22272015, 21503032], the Fundamental Research Funds for the Central Universities of China [DUT21JC40]. | Approved | Most recent IF: 15.1; 2023 IF: 6.216 | ||
Call Number | PLASMANT @ plasmant @c:irua:195888 | Serial | 7253 | ||
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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 ![]() |
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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. |
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Language | Wos | 000953337700001 | Publication Date | 2023-03-13 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 2168-0485 | ISBN | Additional Links | 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 | ||
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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 ![]() |
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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 | |
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ISSN | 0897-4756 | ISBN | Additional Links | 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 | 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 ![]() |
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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. |
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Language | Wos | 000926412800001 | Publication Date | 2023-02-06 | |
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ISSN | 2168-0485 | ISBN | Additional Links | 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 | ||
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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 ![]() |
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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. |
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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 | 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 | ||
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Author | Van Alphen, S.; Hecimovic, A.; Kiefer, C.K.; Fantz, U.; Snyders, R.; Bogaerts, A. | ||||
Title | Modelling post-plasma quenching nozzles for improving the performance of CO2 microwave plasmas | Type | A1 Journal article | ||
Year | 2023 | Publication | Chemical engineering journal | Abbreviated Journal ![]() |
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Volume | 462 | Issue | Pages | 142217 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Given the ecological problems associated to the CO2 emissions of fossil fuels, plasma technology has gained interest for conversion of CO2 into value-added products. Microwave plasmas operating at atmospheric pressure have proven to be especially interesting, due to the high gas temperatures inside the reactor (i.e. up to 6000 K) allowing for efficient thermal dissociation of CO2 into CO and O2. However, the performance of these high temperature plasmas is limited by recombination of CO back into CO2 once the gas cools down in the afterglow. In this work, we computationally investigated several quenching nozzles, developed and experimentally tested by Hecimovic et al., [1] for their ability to quickly cool the gas after the plasma, thereby quenching the CO recombination reactions. Using a 3D computational fluid dynamics model and a quasi-1D chemical kinetics model, we reveal that a reactor without nozzle lacks gas mixing between hot gas in the center and cold gas near the reactor walls. Especially at low flow rates, where there is an inherent lack of convective cooling due to the low gas flow velocity, the temperature in the afterglow remains high (between 2000 and 3000 K) for a relatively long time (in the 0.1 s range). As shown by our quasi-1D chemical kinetics model, this results in a important loss of CO due to recombination reactions. Attaching a nozzle in the effluent of the reactor induces fast gas quenching right after the plasma. Indeed, it introduces (i) more convective cooling by forcing cool gas near the walls to mix with hot gas in the center of the reactor, as well as (ii) more conductive cooling through the water-cooled walls of the nozzle. Our model shows that gas quenching and the suppression of recombination reactions have more impact at low flow rates, where recombination is the most limiting factor in the conversion process. |
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000962382600001 | Publication Date | 2023-03-03 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1385-8947 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 15.1 | 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), the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project), and through long-term structural funding (Methusalem). 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: 15.1; 2023 IF: 6.216 | ||
Call Number | PLASMANT @ plasmant @c:irua:195889 | Serial | 7259 | ||
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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 ![]() |
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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. | ||||
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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 | 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 | ||
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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 ![]() |
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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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Publisher | Place of Publication | Editor | |||
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 | 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 | Wang, J.; Zhang, K.; Meynen, V.; Bogaerts, A. | ||||
Title | Dry reforming in a dielectric barrier discharge reactor with non-uniform discharge gap : effects of metal rings on the discharge behavior and performance | Type | A1 Journal article | ||
Year | 2023 | Publication | Chemical engineering journal | Abbreviated Journal ![]() |
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Volume | Issue | Pages | 142953-29 | ||
Keywords | A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The application of dielectric barrier discharge (DBD) plasma reactors is promising in various environmental and energy processes, but is limited by their low energy yield. In this study, we put a number of stainless steel rings over the inner electrode rod of the DBD reactor to change the local discharge gap and electric field, and we studied the dry reforming performance. At 50 W supplied power, the metal rings mostly have a negative impact on the performance, which we attribute to the non-uniform spatial distribution of the discharges caused by the rings. However, at 30 W supplied power, the energy yield is higher than at 50 W and the placement of the rings improves the performance of the reactor. More rings and with a larger cross-sectional diameter can further improve the performance. The reactor with 20 rings with a 3.2 mm cross-sectional diameter exhibits the best performance in this study. Compared to the reactor without rings, it increases the CO2 conversion from 7% to 16 %, the CH4 conversion from 12% to 23%, and the energy yield from 0.05 mmol/kJ supplied power to 0.1 mmol/kJ (0.19 mmol/kJ if calculated from the plasma power), respectively. The presence of the rings increases the local electric field, the displaced charge and the discharge fraction, and also makes the discharge more stable and with more uniform intensity. It also slightly improves the selectivity to syngas. The performance improvement observed by placing stainless steel rings in this study may also be applicable to other plasma-based processes. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000986051300001 | Publication Date | 2023-04-17 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
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 | |
Notes | Approved | Most recent IF: 15.1; 2023 IF: 6.216 | |||
Call Number | UA @ admin @ c:irua:195603 | Serial | 7264 | ||
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Author | Sahun, M.; Privat-Maldonado, A.; Lin, A.; De Roeck, N.; Van de Heyden, L.; Hillen, M.; Michiels, J.; Steenackers, G.; Smits, E.; Ariën, K.K.; Jorens, P.G.; Delputte, P.; Bogaerts, A. | ||||
Title | Inactivation of SARS-CoV-2 and other enveloped and non-enveloped viruses with non-thermal plasma for hospital disinfection | Type | A1 Journal article | ||
Year | 2023 | Publication | ACS Sustainable Chemistry and Engineering | Abbreviated Journal ![]() |
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Volume | Issue | Pages | 1-10 | ||
Keywords | A1 Journal article; Engineering sciences. Technology; Center for Oncological Research (CORE); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Laboratory Experimental Medicine and Pediatrics (LEMP) | ||||
Abstract | As recently highlighted by the SARS-CoV-2 pandemic, viruses have become an increasing burden for health, global economy, and environment. The control of transmission by contact with contaminated materials represents a major challenge, particularly in hospital environments. However, the current disinfection methods in hospital settings suffer from numerous drawbacks. As a result, several medical supplies that cannot be properly disinfected are not reused, leading to severe shortages and increasing amounts of waste, thus prompting the search for alternative solutions. In this work, we report that non-thermal plasma (NTP) can effectively inactivate SARS-CoV-2 from non-porous and porous materials commonly found in healthcare facilities. We demonstrated that 5 min treatment with a dielectric barrier discharge NTP can inactivate 100% of SARS-CoV-2 (Wuhan and Omicron strains) from plastic material. Using porcine respiratory coronavirus (surrogate for SARS-CoV-2) and coxsackievirus B3 (highly resistant non-enveloped virus), we tested the NTP virucidal activity on hospital materials and obtained complete inactivation after 5 and 10 min, respectively. We hypothesize that the produced reactive species and local acidification contribute to the overall virucidal effect of NTP. Our results demonstrate the potential of dielectric barrier discharge NTPs for the rapid, efficient, and low-cost disinfection of healthcare materials. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000964269500001 | Publication Date | 2023-03-23 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.4 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 8.4; 2023 IF: 5.951 | |||
Call Number | UA @ admin @ c:irua:194897 | Serial | 7269 | ||
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Author | Tchakoua, T.; Gerrits, N.; Smeets, E.W.F.; Kroes, G.-J. | ||||
Title | SBH17 : benchmark database of barrier heights for dissociative chemisorption on transition metal surfaces | Type | A1 Journal article | ||
Year | 2023 | Publication | Journal of chemical theory and computation | Abbreviated Journal ![]() |
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Volume | 19 | Issue | 1 | Pages | 245-270 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Accurate barriers for rate controlling elementary reactions on metal surfaces are key to understanding, controlling, and predicting the rate of heterogeneously catalyzed processes. While barrier heights for gas phase reactions have been extensively benchmarked, dissociative chemisorption barriers for the reactions of molecules on metal surfaces have received much less attention. The first database called SBH10 and containing 10 entries was recently constructed based on the specific reaction parameter approach to density functional theory (SRP-DFT) and experimental results. We have now constructed a new and improved database (SBH17) containing 17 entries based on SRP-DFT and experiments. For this new SBH17 benchmark study, we have tested three algorithms (high, medium, and light) for calculating barrier heights for dissociative chemisorption on metals, which we have named for the amount of computational effort involved in their use. We test the performance of 14 density functionals at the GGA, GGA+vdW-DF, and meta-GGA rungs. Our results show that, in contrast with the previous SBH10 study where the BEEF-vdW-DF2 functional seemed to be most accurate, the workhorse functional PBE and the MS2 density functional are the most accurate of the GGA and meta-GGA functionals tested. Of the GGA+vdW functionals tested, the SRP32-vdW-DF1 functional is the most accurate. Additionally, we found that the medium algorithm is accurate enough for assessing the performance of the density functionals tested, while it avoids geometry optimizations of minimum barrier geometries for each density functional tested. The medium algorithm does require metal lattice constants and interlayer distances that are optimized separately for each functional. While these are avoided in the light algorithm, this algorithm is found not to give a reliable description of functional performance. The combination of relative ease of use and demonstrated reliability of the medium algorithm will likely pave the way for incorporation of the SBH17 database in larger databases used for testing new density functionals and electronic structure methods. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000903286100001 | Publication Date | 2022-12-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1549-9618 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 5.5 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 5.5; 2023 IF: 5.245 | |||
Call Number | UA @ admin @ c:irua:193426 | Serial | 7274 | ||
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Author | Nematollahi, P. | ||||
Title | Selectivity of Mo-NC sites for electrocatalytic N₂ reduction : a function of the single atom position on the surface and local carbon topologies | Type | A1 Journal article | ||
Year | 2023 | Publication | Applied surface science | Abbreviated Journal ![]() |
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Volume | 612 | Issue | Pages | 155908-155909 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Transition metal (TM) doped two-dimensional single-atom catalysts are known as a promising class of catalysts for electrocatalytic gas conversion. However, the detailed mechanisms that occur at the surface of these catalysts are still unknown. In the present work, we simulate three Mo-doped nitrogenated graphene structures. In each catalyst, the position of the Mo active site and the corresponding local carbon topologies are different, i.e. MoN4C10 with in-plane Mo atom, MoN4C8 in which Mo atom bridges two adjacent armchair-like graphitic edges, and MoN2C3 in which Mo is doped at the edge of the graphene sheet. Using Density Functional Theory (DFT) calculations we discuss the electrocatalytic activity of Mosingle bondNsingle bondC structures for nitrogen reduction reaction (NRR) with a focus on unraveling the corresponding mechanisms concerning different Mo site positions and C topologies. Our results indicate that the position of the active site centers has a great effect on its electrocatalytic behavior. The gas phase N2 efficiently reduces to ammonia on MoN4C8 via the distal mechanism with an onset potential of −0.51 V. We confirm that the proposed pyridinic structure, MoN4C8, can catalyze NRR effectively with a low overpotential of 0.35 V. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000901469900003 | Publication Date | 2022-11-30 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0169-4332 | ISBN | Additional Links | 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: 3.387 | |||
Call Number | UA @ admin @ c:irua:192430 | Serial | 7275 | ||
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Author | Baetens, D.; Schoofs, K.; Somers, N.; Denys, S. | ||||
Title | A brief review on Multiphysics modelling of the various physical and chemical phenomena occurring in active oxidation reactors | Type | A1 Journal article | ||
Year | 2023 | Publication | Current opinion in green and sustainable chemistry | Abbreviated Journal ![]() |
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Volume | 40 | Issue | Pages | 100764-100766 | |
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | Heterogeneous photocatalysis can be used as an advanced oxidation technology frequently studied for application in photoreactors for air and water treatment. Extensive experimental investigation entails high costs and is also time consuming. Multiphysics modelling, a relatively new numerical method, provides a cost-effective and valuable alternative. By reconstructing the reactor geometry in dedicated software, meshing it and solving for occurring physical and chemical phenomena, Multiphysics models can be used to evaluate the performance of different reactor designs, increase insight into the occurring phenomena and study the influence of operational parameters on reactor performance. Finally, Multiphysics models are also developed for various applications like optimising the operational parameters, creating the ideal reactor design or scaling up a lab-scale reactor to a realistic prototype. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000947344000001 | Publication Date | 2023-02-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2452-2236 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 9.3 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 9.3; 2023 IF: NA | |||
Call Number | UA @ admin @ c:irua:195208 | Serial | 7278 | ||
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Author | Skorikov, A.; Batenburg, K.J.; Bals, S. | ||||
Title | Analysis of 3D elemental distribution in nanomaterials : towards higher throughput and dose efficiency | Type | A1 Journal article | ||
Year | 2023 | Publication | Journal of microscopy | Abbreviated Journal ![]() |
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Volume | 289 | Issue | 3 | Pages | 157-163 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Many advanced nanomaterials rely on carefully designed morphology and elemental distribution to achieve their functionalities. Among the few experimental techniques that can directly visualise the 3D elemental distribution on the nanoscale are approaches based on electron tomography in combination with energy-dispersive X-ray spectroscopy (EDXS) and electron energy loss spectroscopy (EELS). Unfortunately, these highly informative methods are severely limited by the fundamentally low signal-to-noise ratio, which makes long experimental times and high electron irradiation doses necessary to obtain reliable 3D reconstructions. Addressing these limitations has been the major research question for the development of these techniques in recent years. This short review outlines the latest progress on the methods to reduce experimental time and electron irradiation dose requirements for 3D elemental distribution analysis and gives an outlook on the development of this field in the near future. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000910532600001 | Publication Date | 2022-12-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-2720 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2 | Times cited | 2 | Open Access | OpenAccess |
Notes | ERC Consolidator Grant, Grant/Award Number: 815128 | Approved | Most recent IF: 2; 2023 IF: 1.692 | ||
Call Number | UA @ admin @ c:irua:193428 | Serial | 7281 | ||
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Author | Orozco-Jimenez, A.J.; Pinilla-Fernandez, D.A.; Pugliese, V.; Bula, A.; Perreault, P.; Gonzalez-Quiroga, A. | ||||
Title | Angular momentum based-analysis of gas-solid fluidized beds in vortex chambers | Type | A1 Journal article | ||
Year | 2023 | Publication | Chemical engineering journal | Abbreviated Journal ![]() |
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Volume | 457 | Issue | Pages | 141222-21 | |
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | Gas-solid vortex chambers are a promising alternative for reactive and non-reactive processes requiring enhanced heat and mass transfer rates and order-of-milliseconds contact time. The conservation of angular momentum is instrumental in understanding how the interactions between gas, particulate solids, and chamber walls influence the formation of a rotating solids bed. Therefore, this work applies the conservation of angular momentum to derive a model that gives the average angular velocity of solids in terms of gas injection velocity, wall-solids bed drag coefficient, gas and particle properties, and chamber geometry. Three datasets from published studies, comprising 1 g-Geldart B- and d-type particles in different vortex chambers, validate the model results. Using a sensitivity analysis, we assessed the effect of input variables on the average angular velocity of solids, average void fraction, and average bed height. Results indicate that the top and bottom end-wall boundaries exert the most significant braking effect on the rotating solids bed compared with the cylindrical outer wall and gas injection boundaries. The wall-solids bed drag coefficient appears independent of the gas injection velocity for a wide range of operating conditions. The proposed model is a valuable tool for analyzing and comparing gas–solid vortex typologies, unraveling improvement opportunities, and scale-up. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000951011600001 | Publication Date | 2022-12-29 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
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 | |
Notes | Approved | Most recent IF: 15.1; 2023 IF: 6.216 | |||
Call Number | UA @ admin @ c:irua:192868 | Serial | 7282 | ||
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Author | Tiwari, S.; Van de Put, M.L.; Temst, K.; Vandenberghe, W.G.; Sorée, B. | ||||
Title | Atomistic modeling of spin and electron dynamics in two-dimensional magnets switched by two-dimensional topological insulators | Type | A1 Journal article | ||
Year | 2023 | Publication | Physical review applied | Abbreviated Journal ![]() |
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Volume | 19 | Issue | 1 | Pages | 014040-14049 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | To design fast memory devices, we need material combinations that can facilitate fast read and write operations. We present a heterostructure comprising a two-dimensional (2D) magnet and a 2D topological insulator (TI) as a viable option for designing fast memory devices. We theoretically model the spin-charge dynamics between 2D magnets and 2D TIs. Using the adiabatic approximation, we combine the nonequi-librium Green's function method for spin-dependent electron transport and a time-quantified Monte Carlo method for simulating magnetization dynamics. We show that it is possible to switch a magnetic domain of a ferromagnet using the spin torque from spin-polarized edge states of a 2D TI. We show further that the switching of 2D magnets by TIs is strongly dependent on the interface exchange (Jint), and an opti-mal interface exchange, is required for efficient switching. Finally, we compare experimentally grown Cr compounds and show that Cr compounds with higher anisotropy (such as CrI3) result in a lower switching speed but a more stable magnetic order. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000920227500002 | Publication Date | 2023-01-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2331-7019 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.6 | Times cited | Open Access | Not_Open_Access | |
Notes | Approved | Most recent IF: 4.6; 2023 IF: 4.808 | |||
Call Number | UA @ admin @ c:irua:194312 | Serial | 7283 | ||
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Author | Morsdorf, L.; Kashiwar, A.; Kübel, C.; Tasan, C.C. | ||||
Title | Carbon segregation and cementite precipitation at grain boundaries in quenched and tempered lath martensite | Type | A1 Journal article | ||
Year | 2023 | Publication | Materials science and engineering: part A: structural materials: properties, microstructure and processing | Abbreviated Journal ![]() |
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Volume | 862 | Issue | Pages | 144369-21 | |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Tempering is widely applied to make carbon atoms beneficially rearrange in high strength steel microstructures after quenching; though the nano-scale interaction of carbon atoms with crystallographic defects is hard to experimentally observe. To improve, we investigate the redistribution of carbon atoms along martensite grain boundaries in a quenched and tempered low carbon steel. We observe the tempering-induced microstructural evolution by in-situ heating in a transmission electron microscope (TEM) and by compositional analysis through atom probe tomography (APT). Probe volumes for APT originate from a single martensite packet but in different tempering conditions, which is achieved via a sequential lift-out with in-between tempering treatments. The complementary use of TEM and APT provides crystallographic as well as chemical information on carbon segregation and subsequent carbide precipitation at martensite grain boundaries. The results show that the amount of carbon segregation to martensite grain boundaries is influenced by the boundary type, e.g. low-angle lath or high-angle block boundaries. Also, the growth behavior of cementite precipitates from grain boundary nucleation sites into neighboring martensite grains differs at low- and high-angle grain boundaries. This is due to the crystallographic constraints arising from the semi-coherent orientation relationship between cementite and adjacent martensite. We also show that slower quenching stabilizes thin retained austenite films between martensite grains because of enhanced carbon segregation during cooling. Finally, we demonstrate the effect of carbon redistribution along martensite grain boundaries on the mechanical properties. Here, we compare micro-scale Vickers hardness results from boundary-containing probe volumes to nanoindentation results from pure bulk martensite (boundary-free) probe volumes. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000905165700001 | Publication Date | 2022-12-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0921-5093 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.4 | Times cited | Open Access | Not_Open_Access | |
Notes | Approved | Most recent IF: 6.4; 2023 IF: 3.094 | |||
Call Number | UA @ admin @ c:irua:192279 | Serial | 7285 | ||
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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 ![]() |
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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. | ||||
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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 | 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 | ||
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Author | Bian, G.; Ageeva, O.; Roddatis, V.; Li, C.; Pennycook, T.J.; Habler, G.; Abart, R. | ||||
Title | Crystal structure controls on oriented primary magnetite micro-inclusions in plagioclase From oceanic gabbro | Type | A1 Journal article | ||
Year | 2023 | Publication | Journal of petrology | Abbreviated Journal ![]() |
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Volume | 64 | Issue | 3 | Pages | egad008-18 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Oriented needle-, lath- and plate-shaped magnetite micro-inclusions in rock forming plagioclase from mafic intrusive rocks, were investigated using correlated optical microscopy and scanning transmission electron microscopy. The magnetite micro-inclusions were analysed on cuts parallel and perpendicular to the inclusion-elongation directions. The crystal structures of the two phases are in direct contact along the interfaces. The shape, shape orientation and crystallographic orientation relationships between the magnetite micro-inclusions and the plagioclase host appear to be controlled by the tendency of the system to optimise lattice match along the interfaces. The elongation direction of the inclusions ensures good match between prominent oxygen layers in the magnetite and plagioclase crystal structures across the interfaces bounding the inclusions parallel to their elongation direction. In cross-section, additional modes of lattice match, such as the commensurate impingement of magnetite and plagioclase lattice planes along the interfaces, the parallel alignment of the interfaces to low-index lattice planes of magnetite or plagioclase, or the parallel alignment to low index lattice planes of both phases are observed, which appear to control the selection of interface facets, as well as the shape and crystallographic orientation relationships between magnetite micro-inclusions and plagioclase host. The systematics of the inclusion cross-sectional shapes and crystallographic orientation relationships indicate recrystallisation of magnetite with potential implications for natural remanent magnetisation of magnetite-bearing plagioclase grains. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 001010636400007 | Publication Date | 2023-01-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-3530 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 3.9 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 3.9; 2023 IF: 3.28 | |||
Call Number | UA @ admin @ c:irua:195160 | Serial | 7292 | ||
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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 ![]() |
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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. | ||||
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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 | 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 | ||
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Author | Alloul, A.; Blansaer, N.; Cabecas Segura, P.; Wattiez, R.; Vlaeminck, S.E.; Leroy, B. | ||||
Title | Dehazing redox homeostasis to foster purple bacteria biotechnology | Type | A1 Journal article | ||
Year | 2023 | Publication | Trends in biotechnology : regular edition | Abbreviated Journal ![]() |
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Volume | 41 | Issue | 1 | Pages | 106-119 |
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | Purple non-sulfur bacteria (PNSB) show great potential for environmental and industrial biotechnology, producing microbial protein, biohydrogen, polyhydroxyalkanoates (PHAs), pigments, etc. When grown photoheterotrophically, the carbon source is typically more reduced than the PNSB biomass, which leads to a redox imbalance. To mitigate the excess of electrons, PNSB can exhibit several ‘electron sinking’ strategies, such as CO2 fixation, N2 fixation, and H2 and PHA production. The lack of a comprehensive (over)view of these redox strategies is hindering the implementation of PNSB for biotechnology applications. This review aims to present the state of the art of redox homeostasis in phototrophically grown PNSB, presenting known and theoretically expected strategies, and discussing them from stoichiometric, thermodynamic, metabolic, and economic points of view. | ||||
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Language | Wos | 000923198400001 | Publication Date | 2022-07-14 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1879-3096;0167-7799 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 17.3 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 17.3; 2023 IF: 11.126 | |||
Call Number | UA @ admin @ c:irua:192944 | Serial | 7294 | ||
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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 ![]() |
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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. | ||||
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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 | 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 | ||
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