“Liquid treatment with a plasma jet surrounded by a gas shield: effect of the treated substrate and gas shield geometry on the plasma effluent conditions”. Heirman P, Verloy R, Baroen J, Privat-Maldonado A, Smits E, Bogaerts A, Journal of physics: D: applied physics 57, 115204 (2024). http://doi.org/10.1088/1361-6463/ad146b
Abstract: The treatment of a well plate by an atmospheric pressure plasma jet is common for<italic>in vitro</italic>plasma medicine research. Here, reactive species are largely produced through the mixing of the jet effluent with the surrounding atmosphere. This mixing can be influenced not only by the ambient conditions, but also by the geometry of the treated well. To limit this influence and control the atmosphere, a shielding gas is sometimes applied. However, the interplay between the gas shield and the well geometry has not been investigated. In this work, we developed a 2D-axisymmetric computational fluid dynamics model of the kINPen plasma jet, to study the mixing of the jet effluent with the surrounding atmosphere, with and without gas shield. Our computational and experimental results show that the choice of well type can have a significant influence on the effluent conditions, as well as on the effectiveness of the gas shield. Furthermore, the geometry of the shielding gas device can substantially influence the mixing as well. Our results provide a deeper understanding of how the choice of setup geometry can influence the plasma treatment, even when all other operating parameters are unchanged.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Center for Oncological Research (CORE)
Impact Factor: 3.4
DOI: 10.1088/1361-6463/ad146b
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“Avoiding solid carbon deposition in plasma-based dry reforming of methane”. Biondo O, van Deursen CFAM, Hughes A, van de Steeg A, Bongers W, van de Sanden MCM, van Rooij G, Bogaerts A, Green Chemistry 25, 10485 (2023). http://doi.org/10.1039/D3GC03595F
Abstract: Solid carbon deposition is a persistent challenge in dry reforming of methane (DRM), affecting both classical and plasma-based processes. In this work, we use a microwave plasma in reverse vortex flow configuration to overcome this issue in CO<sub>2</sub>/CH<sub>4</sub>plasmas. Indeed, this configuration efficiently mitigates carbon deposition, enabling operation even with pure CH<sub>4</sub>feed gas, in contrast to other configurations. At the same time, high reactor performance is achieved, with CO<sub>2</sub>and CH<sub>4</sub>conversions reaching 33% and 44% respectively, at an energy cost of 14 kJ L<sup>−1</sup>for a CO<sub>2</sub> : CH<sub>4</sub>ratio of 1 : 1. Laser scattering and optical emission imaging demonstrate that the shorter residence time in reverse vortex flow lowers the gas temperature in the discharge, facilitating a shift from full to partial CH<sub>4</sub>pyrolysis. This underscores the pivotal role of flow configuration in directing process selectivity, a crucial factor in complex chemistries like CO<sub>2</sub>/CH<sub>4</sub>mixtures and very important for industrial applications.
Keywords: A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Impact Factor: 9.8
DOI: 10.1039/D3GC03595F
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“Injectable Plasma‐Treated Alginate Hydrogel for Oxidative Stress Delivery to Induce Immunogenic Cell Death in Osteosarcoma”. Živanić, M, Espona‐Noguera A, Verswyvel H, Smits E, Bogaerts A, Lin A, Canal C, Advanced functional materials (2023). http://doi.org/10.1002/adfm.202312005
Abstract: Cold atmospheric plasma (CAP) is a source of cell‐damaging oxidant molecules that may be used as low‐cost cancer treatment with minimal side effects. Liquids treated with cold plasma and enriched with oxidants are a modality for non‐invasive treatment of internal tumors with cold plasma via injection. However, liquids are easily diluted with body fluids which impedes high and localized delivery of oxidants to the target. As an alternative, plasma‐treated hydrogels (PTH) emerge as vehicles for the precise delivery of oxidants. This study reports an optimal protocol for the preparation of injectable alginate PTH that ensures the preservation of plasma‐generated oxidants. The generation, storage, and release of oxidants from the PTH are assessed. The efficacy of the alginate PTH in cancer treatment is demonstrated in the context of cancer cell cytotoxicity and immunogenicity–release of danger signals and phagocytosis by immature dendritic cells, up to now unexplored for PTH. These are shown in osteosarcoma, a hard‐to‐treat cancer. The study aims to consolidate PTH as a novel cold plasma treatment modality for non‐invasive or postoperative tumor treatment. The results offer a rationale for further exploration of alginate‐based PTHs as a versatile platform in biomedical engineering.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Center for Oncological Research (CORE)
Impact Factor: 19
DOI: 10.1002/adfm.202312005
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“First-principles exploration of superconductivity in MXenes”. Bekaert J, Sevik C, Milošević, MV, Nanoscale 12, 17354 (2020). http://doi.org/10.1039/D0NR03875J
Abstract: MXenes are an emerging class of two-dimensional materials, which in their thinnest limit consist of a monolayer of carbon or nitrogen (X) sandwiched between two transition metal (M) layers. We have systematically searched for superconductivity among MXenes for a range of transition metal elements, based on a full first-principles characterization in combination with the Eliashberg formalism. Thus, we identified six superconducting MXenes: three carbides (Mo2C, W2C and Sc2C) and three nitrides (Mo2N, W2N and Ta2N). The highest critical temperature of similar to 16 K is found in Mo2N, for which a successful synthesis method has been established [Urbankowskiet al.,Nanoscale, 2017,9, 17722-17730]. Moreover, W2N presents a novel case of competing superconducting and charge density wave phases.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 6.7
Times cited: 15
DOI: 10.1039/D0NR03875J
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“First-principles investigation of nonmetal doped single-layer BiOBr as a potential photocatalyst with a low recombination rate”. Obeid MM, Stampfl C, Bafekry A, Guan Z, Jappor HR, Nguyen C V, Naseri M, Hoat DM, Hieu NN, Krauklis AE, Tuan V Vu, Gogova D, Physical Chemistry Chemical Physics 22, 15354 (2020). http://doi.org/10.1039/D0CP02007A
Abstract: Nonmetal doping is an effective approach to modify the electronic band structure and enhance the photocatalytic performance of bismuth oxyhalides. Using density functional theory, we systematically examine the fundamental properties of single-layer BiOBr doped with boron (B) and phosphorus (P) atoms. The stability of the doped models is investigated based on the formation energies, where the substitutional doping is found to be energetically more stable under O-rich conditions than under Bi-rich ones. The results showed that substitutional doping of P atoms reduced the bandgap of pristine BiOBr to a greater extent than that of boron substitution. The calculation of the effective masses reveals that B doping can render the electrons and holes of pristine BiOBr lighter and heavier, respectively, resulting in a slower recombination rate of photoexcited electron-hole pairs. Based on the results of HOMO-LUMO calculations, the introduction of B atoms tends to increase the number of photocatalytically active sites. The top of the valence band and the conduction band bottom of the B doped BiOBr monolayer match well with the water redox potentials in an acidic environment. The absorption spectra propose that B(P) doping causes a red-shift. Overall, the results predict that nonmetal-doped BiOBr monolayers have a reduced bandgap, a slow recombination rate, more catalytically active sites, enhanced optical absorption edges, and reduced work functions, which will contribute to superior photocatalytic performance.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.3
Times cited: 18
DOI: 10.1039/D0CP02007A
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“A five-stage treatment train for water recovery from urine and shower water for long-term human Space missions”. Lindeboom REF, De Paepe J, Vanoppen M, Alonso-Fariñas B, Coessens W, Alloul A, Christiaens MER, Dotremont C, Beckers H, Lamaze B, Demey D, Clauwaert P, Verliefde ARD, Vlaeminck SE, Desalination 495, 114634 (2020). http://doi.org/10.1016/J.DESAL.2020.114634
Abstract: Long-term human Space missions will rely on regenerative life support as resupply of water, oxygen and food comes with constraints. The International Space Station (ISS) relies on an evaporation/condensation system to recover 74–85% of the water in urine, yet suffers from repetitive scaling and biofouling while employing hazardous chemicals. In this study, an alternative non-sanitary five-stage treatment train for one “astronaut” was integrated through a sophisticated monitoring and control system. This so-called Water Treatment Unit Breadboard (WTUB) successfully treated urine (1.2-L-d−1) with crystallisation, COD-removal, ammonification, nitrification and electrodialysis, before it was mixed with shower water (3.4-L-d−1). Subsequently, ceramic nanofiltration and single-pass flat-sheet RO were used. A four-months proof-of-concept period yielded: (i) chemical water quality meeting the hygienic standards of the European Space Agency, (ii) a 87-±-5% permeate recovery with an estimated theoretical primary energy requirement of 0.2-kWhp-L−1, (iii) reduced scaling potential without anti-scalant addition and (iv) and a significant biological reduction in biofouling potential resulted in stable but biofouling-limited RO permeability of 0.5 L-m−2-h−1-bar−1. Estimated mass breakeven dates and a comparison with the ISS Water Recovery System for a hypothetical Mars transit mission show that WTUB is a promising biological membrane-based alternative to heat-based systems for manned Space missions.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 9.9
DOI: 10.1016/J.DESAL.2020.114634
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“Functionalization chemistry of porous materials”. Canossa S, Wuttke S, Advanced Functional Materials 30, 2003875 (2020). http://doi.org/10.1002/ADFM.202003875
Keywords: Editorial; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 19
Times cited: 1
DOI: 10.1002/ADFM.202003875
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“Functionalization of single-layer TaS₂, and formation of ultrathin Janus structures”. Kahraman Z, Yagmurcukardes M, Sahin H, Journal Of Materials Research 35, 1397 (2020). http://doi.org/10.1557/JMR.2020.64
Abstract: Ab initio calculations are performed to investigate the structural, vibrational, electronic, and piezoelectric properties of functionalized single layers of TaS2. We find that single-layer TaS2 is a suitable host material for functionalization via fluorination and hydrogenation. The one-side fluorinated (FTaS2) and hydrogenated (HTaS2) single layers display indirect gap semiconducting behavior in contrast to bare metallic TaS2. On the other hand, it is shown that as both surfaces of TaS2 are saturated anti-symmetrically, the formed Janus structure is a dynamically stable metallic single layer. In addition, it is revealed that out-of-plane piezoelectricity is created in all anti-symmetric structures. Furthermore, the Janus-type single-layer has the highest specific heat capacity to which longitudinal and transverse acoustical phonon modes have contribution at low temperatures. Our findings indicate that single-layer TaS2 is suitable for functionalization via H and F atoms that the formed, anti-symmetric structures display distinctive electronic, vibrational, and piezoelectric properties.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.7
Times cited: 1
DOI: 10.1557/JMR.2020.64
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“The generalized Gielis geometric equation and its application”. Shi P, Ratkowsky DA, Gielis J, Symmetry-Basel 12, 645 (2020). http://doi.org/10.3390/SYM12040645
Abstract: Many natural shapes exhibit surprising symmetry and can be described by the Gielis equation, which has several classical geometric equations (for example, the circle, ellipse and superellipse) as special cases. However, the original Gielis equation cannot reflect some diverse shapes due to limitations of its power-law hypothesis. In the present study, we propose a generalized version by introducing a link function. Thus, the original Gielis equation can be deemed to be a special case of the generalized Gielis equation (GGE) with a power-law link function. The link function can be based on the morphological features of different objects so that the GGE is more flexible in fitting the data of the shape than its original version. The GGE is shown to be valid in depicting the shapes of some starfish and plant leaves.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 2.7
Times cited: 4
DOI: 10.3390/SYM12040645
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“Gold-sputtered microelectrodes with built-in gold reference and counter electrodes for electrochemical DNA detection”. Thiruvottriyur Shanmugam S, Trashin S, De Wael K, Analyst (2020). http://doi.org/10.1039/D0AN01387K
Abstract: Gold-sputtered microelectrodes with built-in gold reference and counter electrodes represent a promising platform for the development of disposable DNA sensors. Pretreating gold electrode surfaces and immobilization of DNA thereon is commonly employed in biosensing applications. However, with no scientific or practical guidelines to prepare a DNA sensor using these miniature gold-sputtered microelectrodes, cleaning and immobilization steps need to be systematically optimized and updated. In this work, we present efficient cleaning and modification of miniaturized gold-sputtered microelectrodes with thiolated DNA probes for DNA detection. Additional discussions on subtleties and nuances involved at each stage of pretreating and modifying gold-sputtered microelectrodes are included to present a robust, well-founded protocol. It was evident that the insights on cleaning polycrystalline gold disk electrodes with a benchmark electrode surface for DNA sensors, cannot be transferred to clean these miniature gold-sputtered microelectrodes. Therefore, a comparison between five different cleaning protocols was made to find the optimal one for gold-sputtered microelectrodes. Additionally, two principally different immobilization techniques for gold-sputtered microelectrode modification with thiolated ssDNA were compared i.e., immobilization through passive chemisorption and potential perturbation were compared in terms of thiol-specific attachment and thiol-unspecific adsorption through nitrogenous bases. The hybridization performance of these prepared electrodes was characterized by their sensitive complementary DNA capturing ability, detected by a standard alkaline phosphatase assay. Immobilization through passive chemisorption proved to be efficient in capturing the complementary target DNA with a detection limit of 0.14 nM and sensitivity of 9.38 A M−1 cm2. In general, this work presents a comprehensive understanding of cleaning, modification and performance of gold-sputtered microelectrodes with built-in gold reference and counter electrodes for both fundamental investigations and practical DNA sensing applications.
Keywords: A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 4.2
DOI: 10.1039/D0AN01387K
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“Grain-boundary-induced strain and distortion in epitaxial bilayer MoS₂, lattice”. Mehta AN, Mo J, Pourtois G, Dabral A, Groven B, Bender H, Favia P, Caymax M, Vandervorst W, Journal Of Physical Chemistry C 124, 6472 (2020). http://doi.org/10.1021/ACS.JPCC.0C01468
Abstract: Grain boundaries between 60 degrees rotated and twinned crystals constitute the dominant type of extended line defects in two-dimensional transition metal dichalcogenides (2D MX2) when grown on a single crystalline template through van der Waals epitaxy. The two most common 60 degrees grain boundaries in MX2 layers, i.e., beta- and gamma-boundaries, introduce distinct distortion and strain into the 2D lattice. They impart a localized tensile or compressive strain on the subsequent layer, respectively, due to van der Waals coupling in bilayer MX2 as determined by combining atomic resolution electron microscopy, geometric phase analysis, and density functional theory. Based on these observations, an alternate route to strain engineering through controlling intrinsic van der Waals forces in homobilayer MX2 is proposed. In contrast to the commonly used external means, this approach enables the localized application of strain to tune the electronic properties of the 2D semiconducting channel in ultra-scaled nanoelectronic applications.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.7
Times cited: 2
DOI: 10.1021/ACS.JPCC.0C01468
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“Graphene hetero-multilayer on layered platinum mineral Jacutingaite (Pt₂HgSe₃): Van der Waals heterostructures with novel optoelectronic and thermoelectric performances”. Bafekry A, Obeid M, Nguyen C, Bagheri Tagani M, Ghergherehchi M, Journal Of Materials Chemistry A 8, 13248 (2020). http://doi.org/10.1039/D0TA02847A
Abstract: Motivated by the recent successful synthesis of the layered platinum mineral jacutingaite (Pt2HgSe3), we have studied the optoelectronic, mechanical, and thermoelectric properties of graphene hetero-multilayer on Pt(2)HgSe(3)monolayer (PHS) heterostructures (LG/PHS) by using first-principles calculations. PHS is a topological insulator with a band gap of about 160 meV with fully relativistic calculations; when graphene layers are stacked on PHS, a narrow band gap of similar to 10-15 meV opens. In the presence of gate-voltage and out-of plane strain,i.e.pressure, the electronic properties are modified; the Dirac-cone of graphene can be shifted upwards (downward) to a lower (higher) binding energy. The absorption spectrum shows two peaks, which are located around 216 nm (5.74 eV) and protracted to 490 nm (2.53 eV), indicating that PHS could absorb more visible light. Increasing the number of graphene layers on PHS has a positive impact on the UV-vis light absorption and gives a clear red-shift with enhanced absorption intensity. To investigate the electronic performance of the heterostructure, the electrical conductance and thermopower of a device composed of graphene layers and PHS is examined by a combination of DFT and Green function formalism. The number of graphene layers can significantly tune the thermopower and electrical conductance. This analysis reveals that the heterostructures not only significantly affect the electronic properties, but they can also be used as an efficient way to modulate the optic and thermoelectric properties.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 11.9
Times cited: 20
DOI: 10.1039/D0TA02847A
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“Graphene-like BC₆N single-layer: tunable electronic and magnetic properties via thickness, gating, topological defects, and adatom/molecule”. Bafekry A, Physica E-Low-Dimensional Systems &, Nanostructures 118, 113850 (2020). http://doi.org/10.1016/J.PHYSE.2019.113850
Abstract: By using density functional theory-based first-principles calculations, we investigate the structural, electronic, optical, and transport properties of pristine single-layer BC6N. Under different external actions and functionalization. Increasing the thickness of the structure results in a decrease of the band gap. Applying a perpendicular electric field decreases the band gap and a semiconductor-to-topological insulator transition is revealed. Uniaxial and biaxial strains of +8% result in a semiconductor-to-metal transition. Nanoribbons of BC6N having zigzag edge with even (odd) values of widths, become metal (semiconductor), while the armchair edge nanoribbons exhibit robust semiconducting behavior. In addition, we systematically investigate the effect of surface adatom and molecule, substitutional impurity and defect engineering on the electronic properties of single-layer BC6N and found transitions from metal to half-metal, to ferromagnetic metal, to dilute magnetic semiconductor, and even to spin-glass semiconductor. Furthermore we found that, topological defects including vacancies and Stone–Wales type, induce magnetism in single-layer BC6N.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.3
Times cited: 30
DOI: 10.1016/J.PHYSE.2019.113850
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“Harvesting time and biomass composition affect the economics of microalgae production”. Sui Y, Jiang Y, Moretti M, Vlaeminck SE, Journal Of Cleaner Production 259, 120782 (2020). http://doi.org/10.1016/J.JCLEPRO.2020.120782
Abstract: Cost simulations provide a strong tool to render the production of microalgae economically viable. This study evaluated the unexplored effect of harvesting time and the corresponding microalgal biomass composition on the overall production cost, under both continuous light and light/dark regime using techno-economic analysis (TEA). At the same time, the TEA gives evidence that a novel product “proteinaceous salt” from Dunaliella microalgae production is a promising high-value product for commercialization with profitability. The optimum production scenario is to employ natural light/dark regime and harvest microalgal biomass around late exponential phase, obtaining the minimum production cost of 11 €/kg and a profitable minimum selling price (MSP) of 14.4 €/kg for the “proteinaceous salt”. For further optimization of the production, increasing microalgal biomass concentration is the most effective way to reduce the total production cost and increase the profits of microalgae products.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Engineering Management (ENM)
Impact Factor: 11.1
Times cited: 5
DOI: 10.1016/J.JCLEPRO.2020.120782
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“Heating of liquid foods in cans: Effects of can geometry, orientation, and food rheology”. Borah R, Gupta S, Mishra L, Chhabra RP, Journal Of Food Process Engineering , e13420 (2020). http://doi.org/10.1111/JFPE.13420
Abstract: In this work, the effect of geometry and orientation of food cans on the heating characteristics of processed liquid foods and the resulting lethality target values as a function of the processing times have been investigated. For this purpose, the governing differential equations have been solved numerically for elliptical and cylindrical cans of varying aspect ratios in different orientations in order to delineate their effect on the heating rate (especially of the slowest heating zone [SHZ]) and lethality values over wide ranges of rheological features including shear thinning (n < 1), Newtonian (n = 1), and shear thickening (n > 1) behaviors. The flow and heat transfer characteristics were analyzed with the help of velocity vectors, isotherm contours, average Nusselt number, SHZ temperature and heat penetration parameters, and lethality target values. Also, comparisons were made in terms of the sterilization time and heat penetration parameters to identify the preferable geometries and orientations of food cans for effective heating of non-Newtonian foodstuffs. Finally, favorable conditions in terms of the shape and orientation of the can and the rheological properties have been delineated which lead to superior heating characteristics. Practical Applications Processed foodstuffs are produced in various forms ranging from that in solid, liquid, or as heterogeneous mixtures. Often such liquid and heterogeneous suspensions products are viscous non-Newtonian in character and their thermal processing (including pasteurization, sterilization, etc.) tends to be much more challenging than that of their Newtonian counterparts like air and water. This work explores heating of non-Newtonian liquid foodstuffs in cans of various shapes, geometries and in different orientations in the free convection regime. The results show that depending upon the rheological properties of the products, some orientations and/or geometries offer potential advantages in terms of shorter processing times and lethality values. This information can be of great potential in customizing the design of containers for different food products as well as of different rheological properties.
Keywords: A1 Journal article; Pharmacology. Therapy; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 3
Times cited: 2
DOI: 10.1111/JFPE.13420
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“Hematite at its thinnest limit”. Bacaksiz C, Yagmurcukardes M, Peeters FM, Milošević, MV, 2d Materials 7, 025029 (2020). http://doi.org/10.1088/2053-1583/AB6D79
Abstract: Motivated by the recent synthesis of two-dimensional alpha-Fe2O3 (Balan et al 2018 Nat. Nanotechnol. 13 602), we analyze the structural, vibrational, electronic and magnetic properties of single- and few-layer alpha-Fe2O3 compared to bulk, by ab initio and Monte-Carlo simulations. We reveal how monolayer alpha-Fe2O3 (hematene) can be distinguished from the few-layer structures, and how they all differ from bulk through observable Raman spectra. The optical spectra exhibit gradual shift of the prominent peak to higher energy, as well as additional features at lower energy when alpha-Fe2O3 is thinned down to a monolayer. Both optical and electronic properties have strong spin asymmetry, meaning that lower-energy optical and electronic activities are allowed for the single-spin state. Finally, our considerations of magnetic properties reveal that 2D hematite has anti-ferromagnetic ground state for all thicknesses, but the critical temperature for Morin transition increases with decreasing sample thickness. On all accounts, the link to available experimental data is made, and further measurements are prompted.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 5.5
Times cited: 12
DOI: 10.1088/2053-1583/AB6D79
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“High-performance CO2-selective hybrid membranes by exploiting MOF-breathing effects”. Kertik A, Wee LH, Şentosun K, Navarro JAR, Bals S, Martens JA, Vankelecom IFJ, Acs Applied Materials &, Interfaces 12, 2952 (2020). http://doi.org/10.1021/ACSAMI.9B17820
Abstract: Conventional CO2 separation in the petrochemical industry via cryogenic distillation or amine-based absorber-stripper units is energy-intensive and environmentally unfriendly. Membrane-based gas separation technology, in contrast, has contributed significantly to the development of energy-efficient systems for processes such as natural gas purification. The implementation of commercial polymeric membranes in gas separation processes is restricted by their permeability-selectivity trade-off and by their insufficient thermal and chemical stability. Herein, we present the fabrication of a Matrimid-based membrane loaded with a breathing metal-organic framework (MOF) (NH2-MIL-53(Al)) which is capable of separating binary CO2/CH4 gas mixtures with high selectivities without sacrificing much of its CO2 permeabilities. NH2-MIL-53(Al) crystals were embedded in a polyimide (PI) matrix, and the mixed-matrix membranes (MMMs) were treated at elevated temperatures (up to 350 degrees C) in air to trigger PI cross-linking and to create PI-MOF bonds at the interface to effectively seal the grain boundary. Most importantly, the MOF transitions from its narrow-pore form to its large-pore form during this treatment, which allows the PI chains to partly penetrate the pores and cross-link with the amino functions at the pore mouth of the NH2-MIL-53(Al) and stabilizes the open-pore form of NH2-MIL-53(Al). This cross-linked MMM, with MOF pore entrances was made more selective by the anchored PI-chains and achieves outstanding CO2/CH4 selectivities. This approach provides significant advancement toward the design of selective MMMs with enhanced thermal and chemical stabilities which could also be applicable for other potential applications, such as separation of hydrocarbons (olefin/paraffin or isomers), pervaporation, and solvent-resistant nanofiltration.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 9.5
Times cited: 26
DOI: 10.1021/ACSAMI.9B17820
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“High performance piezotronic spin transistors using molybdenum disulfide nanoribbon”. Yan XF, Chen Q, Li LL, Guo HZ, Peng JZ, Peeters FM, Nano Energy 75, 104953 (2020). http://doi.org/10.1016/J.NANOEN.2020.104953
Abstract: Two-dimensional (2D) materials are promising candidates for atomic-scale piezotronics and piezophototronics. Quantum edge states show fascinating fundamental physics such as nontrivial topological behavior and hold promising practical applications for low-power electronic devices. Here, using the tight-binding approach and quantum transport simulations, we investigate the piezotronic effect on the spin polarization of edge states in a zigzag-terminated monolayer MoS2 nanoribbon. We find that the strain-induced piezoelectric potential induces a phase transition of edge states from metal to semiconductor. However, in the presence of exchange field, edge states become semi-metallic with significant spin splitting and polarization that can be tuned by external strain. We show that quantum transport conductance exhibits a 100% spin polarization over a wide range of strain magnitudes. This effect is used in a propose prototype of piezotronic spin transistor. Our results provide a fundamental understanding of the piezotronic effect on edge states in zigzag monolayer MoS2 nanoribbons and are relevant for designing high-performance piezotronic spin devices.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 17.6
Times cited: 20
DOI: 10.1016/J.NANOEN.2020.104953
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“High temperature rise dominated cracking mechanisms in ultra-ductile and tough titanium alloy”. Choisez L, Ding L, Marteleur M, Idrissi H, Pardoen T, Jacques PJ, Nature Communications 11, 2110 (2020). http://doi.org/10.1038/S41467-020-15772-1
Abstract: Extensive use of titanium alloys is partly hindered by a lack of ductility, strain hardening, and fracture toughness. Recently, several beta -metastable titanium alloys were designed to simultaneously activate both transformation-induced plasticity and twinning-induced plasticity effects, resulting in significant improvements to their strain hardening capacity and resistance to plastic localization. Here, we report an ultra-large fracture resistance in a Ti-12Mo alloy (wt.%), that results from a high resistance to damage nucleation, with an unexpected fracture phenomenology under quasi-static loading. Necking develops at a large uniform true strain of 0.3 while fracture initiates at a true fracture strain of 1.0 by intense through-thickness shear within a thin localized shear band. Transmission electron microscopy reveals that dynamic recrystallization occurs in this band, while local partial melting is observed on the fracture surface. Shear band temperatures of 1250-2450 degrees C are estimated by the fusible coating method. The reported high ductility combined to the unconventional fracture process opens alternative avenues toward Ti alloys toughening. Specific titanium alloys combine transformation-induced plasticity and twinning-induced plasticity for improved work hardening. Here, the authors show that these alloys also have an ultra-large fracture resistance and an unexpected fracture mechanism via dynamic recrystallization and local melting in a deformation band.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 16.6
Times cited: 1
DOI: 10.1038/S41467-020-15772-1
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“High-voltage cycling induced thermal vulnerability in LiCoO₂, cathode : cation loss and oxygen release driven by oxygen vacancy migration”. Sun C, Liao X, Xia F, Zhao Y, Zhang L, Mu S, Shi S, Li Y, Peng H, Van Tendeloo G, Zhao K, Wu J, Acs Nano 14, 6181 (2020). http://doi.org/10.1021/ACSNANO.0C02237
Abstract: The release of the lattice oxygen due to the thermal degradation of layered lithium transition metal oxides is one of the major safety concerns in Li-ion batteries. The oxygen release is generally attributed to the phase transitions from the layered structure to spinel and rocksalt structures that contain less lattice oxygen. Here, a different degradation pathway in LiCoO2 is found, through oxygen vacancy facilitated cation migration and reduction. This process leaves undercoordinated oxygen that gives rise to oxygen release while the structure integrity of the defect-free region is mostly preserved. This oxygen release mechanism can be called surface degradation due to the kinetic control of the cation migration but has a slow surface to bulk propagation with continuous loss of the surface cation ions. It is also strongly correlated with the high-voltage cycling defects that end up with a significant local oxygen release at low temperatures. This work unveils the thermal vulnerability of high-voltage Li-ion batteries and the critical role of the surface fraction as a general mitigating approach.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 17.1
Times cited: 8
DOI: 10.1021/ACSNANO.0C02237
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De Jong M (2020) A highly accurate portable electrochemical sensor for cocaine : from methodology to testing in the field. 263 p
Keywords: Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“HRTF measurement by means of unsupervised head movements with respect to a single fixed speaker”. Reijniers J, Partoens B, Steckel J, Peremans H, Ieee Access 8, 92287 (2020). http://doi.org/10.1109/ACCESS.2020.2994932
Abstract: In a standard state-of-the-art measurement the head-related transfer function (HRTF) is obtained in an anechoic room with an elaborate setup involving multiple calibrated loudspeakers. In search for a simplified method that would open up the possibility for an HRTF measurement in a home environment, it has been suggested that this setup could be replaced with one with a single, fixed loudspeaker. In such a setup, the subject samples different directions by moving the head with respect to this loudspeaker, while the head movements are tracked in some way. In this paper, the feasibility of such an approach is studied. To this end, the HRTF is measured in an unmodified (non-anechoic) room by means of a single external speaker and a high resolution head tracking system. The differences between the dynamically obtained HRTF and the standard static HRTF are investigated, and are shown to be mostly due to variable torso reflections.
Keywords: A1 Journal article; Mass communications; Engineering Management (ENM); Condensed Matter Theory (CMT); Co-Design of Cyber-Physical Systems (Cosys-Lab)
Impact Factor: 3.9
Times cited: 4
DOI: 10.1109/ACCESS.2020.2994932
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“Identification of nano-width variants in a fully monoclinic martensitic Ni50Ti50 alloy by scanning electron microscope-based transmission Kikuchi diffraction and improved groupoid structure approach”. Zhao ZX, Ma X, Cao S, Li YY, Zeng CY, Wang DX, Yao X, Deng ZJ, Zhang XP, Materials Letters 281, 128624 (2020). http://doi.org/10.1016/J.MATLET.2020.128624
Abstract: Nano-width martensite plates in a fully martensitic Ni50Ti50 alloy are indexed successfully by using the off-axis transmission Kikuchi diffraction in scanning electron microscope (i.e., SEM-based TKD). The data obtained by SEM-TKD are effectively interpreted using an improved approach based on the framework of the theoretical groupoid structure method, where the equivalent variants transformed from the monoclinic variants are introduced to calculate all theoretical axis/angle pairs of rotation, and to formulate a complete list of source martensite to target martensite pairs. Consequently, B19' monoclinic martensite variants in NiTi alloys are identified unambiguously, by using numerical comparison between the experimental and theoretical rotation components, without the reference of retained parent phase. (C) 2020 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3
DOI: 10.1016/J.MATLET.2020.128624
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“Ik drink (geen) afval! Een exploratieve studie naar socio-demografische verschillen in publieke steun voor het hergebruik van afvalwater in Vlaanderen”. Geerts R, Vandermoere F, Halet D, Van Winckel T, Joos P, Van Den Steen K, Van Meenen E, Blust R, Vlaeminck SE, Vlaams tijdschrift voor overheidsmanagement , 51 (2020)
Abstract: In een context van stijgende waterschaarste verkennen wij, naar ons weten voor het eerst in Vlaanderen, publieke steun voor de behandeling en het hergebruik van afvalwater als drinkwater. Vlaanderen is vandaag een van de weinige regio’s waar afvalwater reeds gerecycleerd wordt voor drinkwaterdoeleinden. Dit gebeurt op kleinschalig niveau en de uitbreiding hiervan is vandaag een van de Vlaamse beleidsdoelstellingen. Internationale voorbeelden toonden echter dat een gebrek aan publieke steun een aanzienlijk obstakel kan zijn. Vaak worden gezondheids- en veiligheidsbezorgdheden aangehaald als oorzaak voor het beperkte draagvlak. Minder is geweten over de socio-demografische distributie van dit draagvlak. Daarbovenop blijft er onduidelijkheid over de samenhang tussen socio-demografische kenmerken en gezondheids- en veiligheidsbezorgdheden. Met behulp van een enquête uitgevoerd in Vlaanderen (N=2309), bestudeerden wij ten eerste deze socio-demografische verschillen op basis van bivariate associaties (gender, opleidingsniveau, leeftijd en woonplaats). Ten tweede construeerden we een padmodel om te onderzoeken of deze verschillen verklaard kunnen worden aan de hand van gezondheids- en veiligheidsbezorgdheden. Onze resultaten toonden dat publieke steun voor afvalwaterhergebruik voor drinkwaterdoeleinden in Vlaanderen beperkt is. Het draagvlak was het laagst bij oudere mensen, vrouwen, lager geschoolde groepen en mensen die niet in de Provincie Antwerpen wonen. Voor een groot deel konden socio-demografische verschillen verklaard worden door hogere gezondheids- en veiligheidsbezorgdheden bij vrouwen, lager geschoolden en mensen uit West- en Oost-Vlaanderen. Dit suggereert een gebrek aan vertrouwen in waterexperts en -technologie bij bepaalde socio-demografische groepen, wat zich vertaalt in een verminderde publieke steun voor afvalwaterhergebruik. Op basis van deze bevindingen bespreken we een aantal potentiële actiestrategieën om publieke oppositie te anticiperen en proactief publieke steun te verwerven via doelgerichte (risico)communicatie.
Keywords: A1 Journal article; Sociology; Sustainable Energy, Air and Water Technology (DuEL); Centre for Research on Environmental and Social Change
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“Impact of carrier on ammonia and organics removal from zero-discharge marine recirculating aquaculture system with sequencing batch biofilm reactor (SBBR)”. Li J, Zhu W, Dong H, Yang Z, Zhang P, Qiang Z, Environmental Science And Pollution Research 27, 34614 (2020). http://doi.org/10.1007/S11356-019-04887-8
Abstract: Marine recirculating aquaculture system (MRAS) is an effective technology that provides sustainable farming of food fish globally. However, dissolved organics material (chemical oxygen demand, COD) and especially ammonia are produced from uneaten feed and metabolic wastes of fish. To purify the MRAS water, this study adopted a sequencing biofilm batch reactor (SBBR) and comparatively investigated the performances of four different carriers on ammonia and COD removal. Results indicated that the NH4+-N removal rates were 0.045 +/- 0.05, 0.065 +/- 0.008, 0.089 +/- 0.005, and 0.093 +/- 0.003 kg/(m(3)center dot d), and the COD removal rates were 0.019 +/- 0.010, 0.213 +/- 0.010, 0.255 +/- 0.015, and 0.322 +/- 0.010 kg/(m(3)center dot d) in the SBBRs packed with porous plastic, bamboo ring, maifan stone, and ceramsite carriers, respectively. Among the four carriers, ceramsite exhibited the best performance for both NH4+-N (80%) and COD (33%) removal after the SBBR reached the steady-state operation conditions. For all carriers studied, the NH4+-N removal kinetics could be well simulated by the first-order model, and the NH4+-N and COD removal rates were logarithmically correlated with the carrier's specific surface area. Due to its high ammonia removal, stable performance and easy operation, the ceramsite-packed SBBR is feasible for MRAS water treatment.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 5.8
Times cited: 1
DOI: 10.1007/S11356-019-04887-8
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“The impact of local hydrodynamics on high-rate activated sludge flocculation in laboratory and full-scale reactors”. Balemans S, Vlaeminck SE, Torfs E, Hartog L, Zaharova L, Rehman U, Nopens I, Processes 8, 131 (2020). http://doi.org/10.3390/PR8020131
Abstract: High rate activated sludge (HRAS) processes have a high potential for carbon and energy recovery from sewage, yet they suffer frequently from poor settleability due to flocculation issues. The process of flocculation is generally optimized using jar tests. However, detailed jar hydrodynamics are often unknown, and average quantities are used, which can significantly differ from the local conditions. The presented work combined experimental and numerical data to investigate the impact of local hydrodynamics on HRAS flocculation for two different jar test configurations (i.e., radial vs. axial impellers at different impeller velocities) and compared the hydrodynamics in these jar tests to those in a representative section of a full scale reactor using computational fluid dynamics (CFD). The analysis showed that the flocculation performance was highly influenced by the impeller type and its speed. The axial impeller appeared to be more appropriate for floc formation over a range of impeller speeds as it produced a more homogeneous distribution of local velocity gradients compared to the radial impeller. In contrast, the radial impeller generated larger volumes (%) of high velocity gradients in which floc breakage may occur. Comparison to local velocity gradients in a full scale system showed that also here, high velocity gradients occurred in the region around the impeller, which might significantly hamper the HRAS flocculation process. As such, this study showed that a model based approach was necessary to translate lab scale results to full scale. These new insights can help improve future experimental setups and reactor design for improved HRAS flocculation.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.3390/PR8020131
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“Impact of rough substrates on hydrogen-doped indium oxides for the application in CIGS devices”. Erfurt D, Koida T, Heinemann MD, Li C, Bertram T, Nishinaga J, Szyszka B, Shibata H, Klenk R, Schlatmann R, Solar Energy Materials And Solar Cells 206, 110300 (2020). http://doi.org/10.1016/J.SOLMAT.2019.110300
Abstract: Indium oxide based transparent conductive oxides (TCOs) are promising contact layers in solar cells due to their outstanding electrical and optical properties. However, when applied in Cu(In,Ga)Se-2 or Si-hetero-junction solar cells the specific roughness of the material beneath can affect the growth and the properties of the TCO. We investigated the electrical properties of hydrogen doped and hydrogen-tungsten co-doped indium oxides grown on rough Cu(In,Ga)Se-2 samples as well as on textured and planar glass. At sharp ridges and V-shaped valleys crack-shaped voids form inside the indium oxide films, which limit the effective electron mobility of the In2O3:H and In2O3:H,W thin films. This was found for films deposited by magnetron sputtering and reactive plasma deposition at several deposition parameters, before as well as after annealing and solid phase crystallization. This suggests universal behavior that will have a wide impact on solar cell devices.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 6.9
Times cited: 5
DOI: 10.1016/J.SOLMAT.2019.110300
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“Inhomogeneous superconductivity and quasilinear magnetoresistance at amorphous LaTiO₃/SrTiO₃, interfaces”. Lebedev N, Stehno M, Rana A, Gauquelin N, Verbeeck J, Brinkman A, Aarts J, Journal Of Physics-Condensed Matter 33, 055001 (2020). http://doi.org/10.1088/1361-648X/ABC102
Abstract: We have studied the transport properties of LaTiO3/SrTiO3 (LTO/STO) heterostructures. In spite of 2D growth observed in reflection high energy electron diffraction, transmission electron microscopy images revealed that the samples tend to amorphize. Still, we observe that the structures are conducting, and some of them exhibit high conductance and/or superconductivity. We established that conductivity arises mainly on the STO side of the interface, and shows all the signs of the two-dimensional electron gas usually observed at interfaces between STO and LTO or LaAlO3, including the presence of two electron bands and tunability with a gate voltage. Analysis of magnetoresistance (MR) and superconductivity indicates the presence of spatial fluctuations of the electronic properties in our samples. That can explain the observed quasilinear out-of-plane MR, as well as various features of the in-plane MR and the observed superconductivity.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.7
Times cited: 1
DOI: 10.1088/1361-648X/ABC102
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“Insights into water permeation through hBN nanocapillaries by ab initio machine learning molecular dynamics simulations”. Ghorbanfekr H, Behler J, Peeters FM, Journal Of Physical Chemistry Letters 11, 7363 (2020). http://doi.org/10.1021/ACS.JPCLETT.0C01739
Abstract: Water permeation between stacked layers of hBN sheets forming 2D nanochannels is investigated using large-scale ab initio-quality molecular dynamics simulations. A high-dimensional neural network potential trained on density-functional theory calculations is employed. We simulate water in van der Waals nanocapillaries and study the impact of nanometric confinement on the structure and dynamics of water using both equilibrium and nonequilibrium methods. At an interlayer distance of 10.2 A confinement induces a first-order phase transition resulting in a well-defined AA-stacked bilayer of hexagonal ice. In contrast, for h < 9 A, the 2D water monolayer consists of a mixture of different locally ordered patterns of squares, pentagons, and hexagons. We found a significant change in the transport properties of confined water, particularly for monolayer water where the water-solid friction coefficient decreases to half and the diffusion coefficient increases by a factor of 4 as compared to bulk water. Accordingly, the slip-velocity is found to increase under confinement and we found that the overall permeation is dominated by monolayer water adjacent to the hBN membranes at extreme confinements. We conclude that monolayer water in addition to bilayer ice has a major contribution to water transport through 2D nanochannels.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 5.7
Times cited: 35
DOI: 10.1021/ACS.JPCLETT.0C01739
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“Integration of a photoelectrochemical cell in a flow system for quantification of 4-aminophenol with titanium dioxide”. Mendonça CD, Rahemi V, Hereijgers J, Breugelmans T, Machado SAS, De Wael K, Electrochemistry Communications 117, 106767 (2020). http://doi.org/10.1016/J.ELECOM.2020.106767
Abstract: The photoelectrochemical quantification of phenolic compounds such as hydroquinone (HQ) and 4-aminophenol (4-AP) is accomplished by integrating a photoelectrochemical cell into a flow injection analysis (FIA) setup. It is a well-known fact that during the electroanalysis of phenolic compounds, the electrode surface is susceptible to poisoning. However, electrode fouling can be reduced significantly by using the FIA system with periodic washing of the electrode. Reactive oxygen species (ROS), which are generated on the surface of TiO2 under UV light, can oxidize phenolic compounds such as 4-AP. The oxidized form of 4-AP is reduced back at the electrode surface, generating a measurable signal proportional to its concentration. The factors influencing the perfor-mance of the sensor, such as flow rate, applied potential for back reduction and pH, are investigated in detail. In the concentration range 0.0125-1.0 mu M, a linear correlation between the photocurrent and the concentration of 4-AP was observed with a sensitivity of 0.6 A M-1 cm(-2) and a limit of detection of 18 nM. A straightforward analytical methodology for the on-site, highly sensitive and low-cost quantification of phenolic compounds is presented, based on the use of TiO2 in a photoelectrochemical flow cell.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Applied Electrochemistry & Catalysis (ELCAT)
Impact Factor: 5.4
Times cited: 1
DOI: 10.1016/J.ELECOM.2020.106767
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