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“Stabilization of the perovskite phase in the Y-Bi-O system by using a BaBiO₃, buffer layer”. Bouwmeester RL, de Hond K, Gauquelin N, Verbeeck J, Koster G, Brinkman A, Physica status solidi: rapid research letters 13, 1800679 (2019). http://doi.org/10.1002/PSSR.201800679
Abstract: A topological insulating phase has theoretically been predicted for the thermodynamically unstable perovskite phase of YBiO3. Here, it is shown that the crystal structure of the Y-Bi-O system can be controlled by using a BaBiO3 buffer layer. The BaBiO3 film overcomes the large lattice mismatch of 12% with the SrTiO3 substrate by forming a rocksalt structure in between the two perovskite structures. Depositing an YBiO3 film directly on a SrTiO3 substrate gives a fluorite structure. However, when the Y-Bi-O system is deposited on top of the buffer layer with the correct crystal phase and comparable lattice constant, a single oriented perovskite structure with the expected lattice constants is observed.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 11
DOI: 10.1002/PSSR.201800679
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“Clogging and unclogging of hydrocarbon-contaminated nanochannels”. Javdani Z, Hassani N, Faraji F, Zhou R, Sun C, Radha B, Neyts E, Peeters FM, Neek-Amal M, The journal of physical chemistry letters 13, 11454 (2022). http://doi.org/10.1021/ACS.JPCLETT.2C03016
Abstract: The recent advantages of the fabrication of artificial nanochannels enabled new research on the molecular transport, permeance, and selectivity of various gases and molecules. However, the physisorption/chemisorption of the unwanted molecules (usually hydrocarbons) inside nanochannels results in the alteration of the functionality of the nanochannels. We investigated contamination due to hydrocarbon molecules, nanochannels made of graphene, hexagonal boron nitride, BC2N, and molybdenum disulfide using molecular dynamics simulations. We found that for a certain size of nanochannel (i.e., h = 0.7 nm), as a result of the anomalous hydrophilic nature of nanochannels made of graphene, the hydrocarbons are fully adsorbed in the nanochannel, giving rise to full uptake. An increasing temperature plays an important role in unclogging, while pressure does not have a significant role. The results of our pioneering work contribute to a better understanding and highlight the important factors in alleviating the contamination and unclogging of nanochannels, which are in good agreement with the results of recent experiments.
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
DOI: 10.1021/ACS.JPCLETT.2C03016
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“Signatures of enhanced out-of-plane polarization in asymmetric BaTiO3 superlattices integrated on silicon”. Chen B, Gauquelin N, Strkalj N, Huang S, Halisdemir U, Nguyen MD, Jannis D, Sarott MF, Eltes F, Abel S, Spreitzer M, Fiebig M, Trassin M, Fompeyrine J, Verbeeck J, Huijben M, Rijnders G, Koster G, Nature communications 13, 265 (2022). http://doi.org/10.1038/s41467-021-27898-x
Abstract: In order to bring the diverse functionalities of transition metal oxides into modern electronics, it is imperative to integrate oxide films with controllable properties onto the silicon platform. Here, we present asymmetric LaMnO<sub>3</sub>/BaTiO<sub>3</sub>/SrTiO<sub>3</sub>superlattices fabricated on silicon with layer thickness control at the unit-cell level. By harnessing the coherent strain between the constituent layers, we overcome the biaxial thermal tension from silicon and stabilize<italic>c</italic>-axis oriented BaTiO<sub>3</sub>layers with substantially enhanced tetragonality, as revealed by atomically resolved scanning transmission electron microscopy. Optical second harmonic generation measurements signify a predominant out-of-plane polarized state with strongly enhanced net polarization in the tricolor superlattices, as compared to the BaTiO<sub>3</sub>single film and conventional BaTiO<sub>3</sub>/SrTiO<sub>3</sub>superlattice grown on silicon. Meanwhile, this coherent strain in turn suppresses the magnetism of LaMnO<sub>3</sub>as the thickness of BaTiO<sub>3</sub>increases. Our study raises the prospect of designing artificial oxide superlattices on silicon with tailored functionalities.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 16.6
Times cited: 11
DOI: 10.1038/s41467-021-27898-x
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“Inventory and assessment of geosites for geotourism development in the eastern and southeastern Lake Tana Region, Ethiopia”. Tessema GA, van der Borg J, Minale AS, Van Rompaey A, Adgo E, Nyssen J, Asrese K, Van Passel S, Poesen J, Geoheritage 13, 43 (2021). http://doi.org/10.1007/S12371-021-00560-0
Abstract: Geotourism is a niche form of sustainable tourism that focuses on the geological and geomorphological features of an area, and the associated culture and biodiversity. Geosites are important resources for geotourism development. The eastern and southeastern Lake Tana region in Ethiopia has several geosites with a potential for geotourism development. Despite the diversity of potential geosites and the strategic location of the area in the Northern Tourist Circuit of Ethiopia, only a few attractions such as Lake Tana and the Blue Nile Falls are currently being visited. The objective of this paper is twofold: to inventory geosites in the eastern and southeastern Lake Tana region and assess their potential for geotourism development; and to propose a geosite inventory and assessment methodology for geotourism purposes with adaptations from previous studies. Several studies were reviewed and finally nine of them used as the main references to prepare the criteria, indicators, and sub-indicators for this study. The indicators used for assessing the potential of geosites relate to scientific, educational, scenic, recreational, protection, functional, and ecological values. This research presents the first inventory of geosites in the Lake Tana basin. A first list of 120 geosites has been inventoried. Further screening and clustering resulted in 61 geosites, of which 17 are viewpoints. Among the major geosites are waterfalls, a lake with islands and island monasteries, a flood plain, caves and cave churches, lava tubes, a mountain (shield volcano), volcanic plugs, volcanic cones, rock-hewn churches, and viewpoints. Quantitative assessment of the geotouristic potential of these geosites revealed that clustered (complex area) geosites received higher scientific, scenic, and recreational value scores.
Keywords: A1 Journal article; Engineering Management (ENM)
Impact Factor: 1.472
DOI: 10.1007/S12371-021-00560-0
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“Inverse heavy-atom effect in near infrared photoluminescent gold nanoclusters”. Pramanik G, Kvakova K, Thottappali MA, Rais D, Pfleger J, Greben M, El-Zoka A, Bals S, Dracinsky M, Valenta J, Cigler P, Nanoscale 13, 10462 (2021). http://doi.org/10.1039/D1NR02440J
Abstract: Fluorophores functionalized with heavy elements show enhanced intersystem crossing due to increased spin–orbit coupling, which in turn shortens the fluorescence decay lifetime (<italic>τ</italic><sup>PL</sup>). This phenomenon is known as the heavy-atom effect (HAE). Here, we report the observation of increased<italic>τ</italic><sup>PL</sup>upon functionalisation of near-infrared photoluminescent gold nanoclusters with iodine. The heavy atom-mediated increase in<italic>τ</italic><sup>PL</sup>is in striking contrast with the HAE and referred to as inverse HAE. Femtosecond and nanosecond transient absorption spectroscopy revealed overcompensation of a slight decrease in lifetime of the transition associated with the Au core (ps) by a large increase in the long-lived triplet state lifetime associated with the Au shell, which contributed to the observed inverse HAE. This unique observation of inverse HAE in gold nanoclusters provides the means to enhance the triplet excited state lifetime.
Keywords: A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Impact Factor: 7.367
Times cited: 7
DOI: 10.1039/D1NR02440J
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“Metal-polymer heterojunction in colloidal-phase plasmonic catalysis”. Rogolino A, Claes N, Cizaurre J, Marauri A, Jumbo-Nogales A, Lawera Z, Kruse J, Sanroman-Iglesias M, Zarketa I, Calvo U, Jimenez-Izal E, Rakovich YP, Bals S, Matxain JM, Grzelczak M, The journal of physical chemistry letters 13, 2264 (2022). http://doi.org/10.1021/ACS.JPCLETT.1C04242
Abstract: Plasmonic catalysis in the colloidal phase requires robust surface ligands that prevent particles from aggregation in adverse chemical environments and allow carrier flow from reagents to nanoparticles. This work describes the use of a water-soluble conjugated polymer comprising a thiophene moiety as a surface ligand for gold nanoparticles to create a hybrid system that, under the action of visible light, drives the conversion of the biorelevant NAD+ to its highly energetic reduced form NADH. A combination of advanced microscopy techniques and numerical simulations revealed that the robust metal-polymer heterojunction, rich in sulfonate functional groups, directs the interaction of electron-donor molecules with the plasmonic photocatalyst. The tight binding of polymer to the gold surface precludes the need for conventional transition-metal surface cocatalysts, which were previously shown to be essential for photocatalytic NAD(+) reduction but are known to hinder the optical properties of plasmonic nanocrystals. Moreover, computational studies indicated that the coating polymer fosters a closer interaction between the sacrificial electron-donor triethanolamine and the nanoparticles, thus enhancing the reactivity.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 5.7
Times cited: 1
DOI: 10.1021/ACS.JPCLETT.1C04242
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“Determination of spinel content in cycled Li1.2Ni0.13Mn0.54Co0.13O2 using three-dimensional electron diffraction and precession electron diffraction”. Quintelier M, Perkisas T, Poppe R, Batuk M, Hendrickx M, Hadermann J, Symmetry-Basel 13, 1989 (2021). http://doi.org/10.3390/SYM13111989
Abstract: Among lithium battery cathode materials, Li1.2Ni0.13Mn0.54Co0.13O2 (LR-NMC) has a high theoretical capacity, but suffers from voltage and capacity fade during cycling. This is partially ascribed to transition metal cation migration, which involves the local transformation of the honeycomb layered structure to spinel-like nano-domains. Determination of the honeycomb layered/spinel phase ratio from powder X-ray diffraction data is hindered by the nanoscale of the functional material and the domains, diverse types of twinning, stacking faults, and the possible presence of the rock salt phase. Determining the phase ratio from transmission electron microscopy imaging can only be done for thin regions near the surfaces of the crystals, and the intense beam that is needed for imaging induces the same transformation to spinel as cycling does. In this article, it is demonstrated that the low electron dose sufficient for electron diffraction allows the collection of data without inducing a phase transformation. Using calculated electron diffraction patterns, we demonstrate that it is possible to determine the volume ratio of the different phases in the particles using a pair-wise comparison of the intensities of the reflections. Using this method, the volume ratio of spinel structure to honeycomb layered structure is determined for a submicron sized crystal from experimental three-dimensional electron diffraction (3D ED) and precession electron diffraction (PED) data. Both twinning and the possible presence of the rock salt phase are taken into account. After 150 charge-discharge cycles, 4% of the volume in LR-NMC particles was transformed irreversibly from the honeycomb layered structure to the spinel structure. The proposed method would be applicable to other multi-phase materials as well.
Keywords: A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM); Electron microscopy for materials research (EMAT)
Impact Factor: 1.457
DOI: 10.3390/SYM13111989
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“Halide perovskites as disposable epitaxial templates for the phase-selective synthesis of lead sulfochloride nanocrystals”. Toso S, Imran M, Mugnaioli E, Moliterni A, Caliandro R, Schrenker NJ, Pianetti A, Zito J, Zaccaria F, Wu Y, Gemmi M, Giannini C, Brovelli S, Infante I, Bals S, Manna L, Nature communications 13, 3976 (2022). http://doi.org/10.1038/S41467-022-31699-1
Abstract: Colloidal chemistry grants access to a wealth of materials through simple and mild reactions. However, even few elements can combine in a variety of stoichiometries and structures, potentially resulting in impurities or even wrong products. Similar issues have been long addressed in organic chemistry by using reaction-directing groups, that are added to a substrate to promote a specific product and are later removed. Inspired by such approach, we demonstrate the use of CsPbCl3 perovskite nanocrystals to drive the phase-selective synthesis of two yet unexplored lead sulfochlorides: Pb3S2Cl2 and Pb4S3Cl2. When homogeneously nucleated in solution, lead sulfochlorides form Pb3S2Cl2 nanocrystals. Conversely, the presence of CsPbCl3 triggers the formation of Pb4S3Cl2/CsPbCl3 epitaxial heterostructures. The phase selectivity is guaranteed by the continuity of the cationic subnetwork across the interface, a condition not met in a hypothetical Pb3S2Cl2/CsPbCl3 heterostructure. The perovskite domain is then etched, delivering phase-pure Pb4S3Cl2 nanocrystals that could not be synthesized directly. Phase-selective approaches, such using reaction-directing groups, are often seen in traditional organic chemistry and catalysis. Here authors use perovskite nanocrystals as disposable templates to drive the phase-selective synthesis of two colloidal nanomaterials, the lead sulfohalides Pb3S2Cl2 and Pb4S3Cl2.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 16.6
Times cited: 15
DOI: 10.1038/S41467-022-31699-1
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“Tailoring Mechanical Properties of a-C:H:Cr Coatings”. Bagherpour A, Baral P, Colla M-S, Orekhov A, Idrissi H, Haye E, Pardoen T, Lucas S, Coatings 13, 2084 (2023). http://doi.org/10.3390/coatings13122084
Abstract: The development of coatings with tunable performances is critical to meet a wide range of technological applications each one with different requirements. Using the plasma-enhanced chemical vapor deposition (PECVD) process, scientists can create hydrogenated amorphous carbon coatings doped with metal (a-C:H:Me) with a broad range of mechanical properties, varying from those resembling polymers to ones resembling diamond. These diverse properties, without clear relations between the different families, make the material selection and optimization difficult but also very rich. An innovative approach is proposed here based on projected performance indices related to fracture energy, strength, and stiffness in order to classify and optimize a-C:H:Me coatings. Four different a-C:H:Cr coatings deposited by PECVD with Ar/C2H2 discharge under different bias voltage and pressures are investigated. A path is found to produce coatings with a selective critical energy release rate between 5–125 J/m2 without compromising yield strength (1.6–2.7 GPa) and elastic limit (≈0.05). Finally, fine-tuned coatings are categorized to meet desired applications under different testing conditions.
Keywords: A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
DOI: 10.3390/coatings13122084
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“Structural diversity in three-dimensional self-assembly of nanoplatelets by spherical confinement”. Wang D, Hermes M, Najmr S, Tasios N, Grau-Carbonell A, Liu Y, Bals S, Dijkstra M, Murray CB, van Blaaderen A, Nature communications 13, 6001 (2022). http://doi.org/10.1038/S41467-022-33616-Y
Abstract: Nanoplatelets offer many possibilities to construct advanced materials due to new properties associated with their (semi)two-dimensional shapes. However, precise control of both positional and orientational order of the nanoplatelets in three dimensions, which is required to achieve emerging and collective properties, is challenging to realize. Here, we combine experiments, advanced electron tomography and computer simulations to explore the structure of supraparticles self-assembled from nanoplatelets in slowly drying emulsion droplets. We demonstrate that the rich phase behaviour of nanoplatelets, and its sensitivity to subtle changes in shape and interaction potential can be used to guide the self-assembly into a wide range of different structures, offering precise control over both orientation and position order of the nanoplatelets. Our research is expected to shed light on the design of hierarchically structured metamaterials with distinct shape- and orientation- dependent properties. Nanoplatelets can be used as anisotropic building blocks for constructing novel optoelectronic materials. Here, Wang et al. show a route of assembling nanoplatelets with controllable positional and orientational order in three dimensions facilitated by the surface tension of drying emulsion droplets.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 16.6
Times cited: 7
DOI: 10.1038/S41467-022-33616-Y
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“Wien effect in interfacial water dissociation through proton-permeable graphene electrodes”. Cai J, Griffin E, Guarochico-Moreira VH, Barry D, Xin B, Yagmurcukardes M, Zhang S, Geim AK, Peeters FM, Lozada-Hidalgo M, Nature communications 13, 5776 (2022). http://doi.org/10.1038/S41467-022-33451-1
Abstract: Strong electric fields can accelerate molecular dissociation reactions. The phenomenon known as the Wien effect was previously observed using high-voltage electrolysis cells that produced fields of about 10(7) V m(-1), sufficient to accelerate the dissociation of weakly bound molecules (e.g., organics and weak electrolytes). The observation of the Wien effect for the common case of water dissociation (H2O reversible arrow H+ + OH-) has remained elusive. Here we study the dissociation of interfacial water adjacent to proton-permeable graphene electrodes and observe strong acceleration of the reaction in fields reaching above 10(8) V m(-1). The use of graphene electrodes allows measuring the proton currents arising exclusively from the dissociation of interfacial water, while the electric field driving the reaction is monitored through the carrier density induced in graphene by the same field. The observed exponential increase in proton currents is in quantitative agreement with Onsager's theory. Our results also demonstrate that graphene electrodes can be valuable for the investigation of various interfacial phenomena involving proton transport.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 16.6
Times cited: 14
DOI: 10.1038/S41467-022-33451-1
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“Gas permeation through graphdiyne-based nanoporous membranes”. Zhou Z, Tan Y, Yang Q, Bera A, Xiong Z, Yagmurcukardes M, Kim M, Zou Y, Wang G, Mishchenko A, Timokhin I, Wang C, Wang H, Yang C, Lu Y, Boya R, Liao H, Haigh S, Liu H, Peeters FM, Li Y, Geim AK, Hu S, Nature communications 13, 4031 (2022). http://doi.org/10.1038/S41467-022-31779-2
Abstract: Nanoporous membranes based on two dimensional materials are predicted to provide highly selective gas transport in combination with extreme permeance. Here we investigate membranes made from multilayer graphdiyne, a graphene-like crystal with a larger unit cell. Despite being nearly a hundred of nanometers thick, the membranes allow fast, Knudsen-type permeation of light gases such as helium and hydrogen whereas heavy noble gases like xenon exhibit strongly suppressed flows. Using isotope and cryogenic temperature measurements, the seemingly conflicting characteristics are explained by a high density of straight-through holes (direct porosity of similar to 0.1%), in which heavy atoms are adsorbed on the walls, partially blocking Knudsen flows. Our work offers important insights into intricate transport mechanisms playing a role at nanoscale.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 16.6
Times cited: 21
DOI: 10.1038/S41467-022-31779-2
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“Qualitative Comparison of Lock-in Thermography (LIT) and Pulse Phase Thermography (PPT) in Mid-Wave and Long-Wave Infrared for the Inspection of Paintings”. Hillen M, Sels S, Ribbens B, Verspeek S, Janssens K, Van der Snickt G, Steenackers G, Applied Sciences 13, 1 (2023). http://doi.org/10.3390/APP13074094
Abstract: When studying paintings with active infrared thermography (IRT), minimizing the temperature fluctuations and thermal shock during a measurement becomes important. Under these conditions, it might be beneficial to use lock-in thermography instead of the conventionally used pulse thermography (PT). This study compared the observations made with lock-in thermography (LIT) and pulse phase thermography (PPT) with halogen light excitation. Three distinctly different paintings were examined. The LIT measurements caused smaller temperature fluctuations and, overall, the phase images appeared to have a higher contrast and less noise. However, in the PPT phase images, the upper paint layer was less visible, an aspect which is of particular interest when trying to observe subsurface defects or the structure of the support. The influence of the spectral range of the cameras on the results was also investigated. All measurements were taken with a mid-wave infrared (MWIR) and long wave infrared (LWIR) camera. The results show that there is a significant number of direct reflection artifacts, caused by the use of the halogen light sources when using the MWIR camera. Adding a long-pass filter to the MWIR camera eliminated most of these artifacts. All results are presented in a side-by-side comparison.
Keywords: A1 Journal article; Engineering sciences. Technology; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS)
Impact Factor: 2.7
DOI: 10.3390/APP13074094
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“How do western European farms behave and respond to climate change? A simultaneous irrigation-crop decision model”. Vanschoenwinkel J, Vancauteren M, Van Passel S, Climate change economics 13, 2250009 (2022). http://doi.org/10.1142/S2010007822500099
Abstract: Most farm adaptations are reactive actions that run the risk of locking farm systems into suboptimal long-term trajectories. This is especially the case with regard to water management as water scarcity will be aggravated by climate change. This paper looks into farm irrigation choices in combination with crop choices because a proper crop choice has the potential to reduce water requirements. It proposes an extended Ricardian model to capture multiple adaptation decisions explicitly. The new simultaneous irrigation-crop farm decision model uses spatially detailed farm-level data of over 18,000 European farms on irrigation and seven different crop choices. The analysis shows that larger farmers and farmers in less water-scarce regions that use irrigation are more sensitive to temperature increases than rain-fed agriculture. This might be explained by the fact that these farmers do not experience the real cost of water scarcity because of which they take less efficient decisions.
Keywords: A1 Journal article; Economics; Engineering Management (ENM)
DOI: 10.1142/S2010007822500099
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“Insights into the Photoelectrocatalytic Behavior of gCN-Based Anode Materials Supported on Ni Foams”. Benedoue S, Benedet M, Gasparotto A, Gauquelin N, Orekhov A, Verbeeck J, Seraglia R, Pagot G, Rizzi GA, Balzano V, Gavioli L, Noto VD, Barreca D, Maccato C, Nanomaterials 13, 1035 (2023). http://doi.org/10.3390/nano13061035
Abstract: Graphitic carbon nitride (gCN) is a promising n-type semiconductor widely investigated for photo-assisted water splitting, but less studied for the (photo)electrochemical degradation of aqueous organic pollutants. In these fields, attractive perspectives for advancements are offered by a proper engineering of the material properties, e.g., by depositing gCN onto conductive and porous scaffolds, tailoring its nanoscale morphology, and functionalizing it with suitable cocatalysts. The present study reports on a simple and easily controllable synthesis of gCN flakes on Ni foam substrates by electrophoretic deposition (EPD), and on their eventual decoration with Co-based cocatalysts [CoO, CoFe2O4, cobalt phosphate (CoPi)] via radio frequency (RF)-sputtering or electrodeposition. After examining the influence of processing conditions on the material characteristics, the developed systems are comparatively investigated as (photo)anodes for water splitting and photoelectrocatalysts for the degradation of a recalcitrant water pollutant [potassium hydrogen phthalate (KHP)]. The obtained results highlight that while gCN decoration with Co-based cocatalysts boosts water splitting performances, bare gCN as such is more efficient in KHP abatement, due to the occurrence of a different reaction mechanism. The related insights, provided by a multi-technique characterization, may provide valuable guidelines for the implementation of active nanomaterials in environmental remediation and sustainable solar-to-chemical energy conversion.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 5.3
Times cited: 3
DOI: 10.3390/nano13061035
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“A review of technological solutions to prevent or reduce marine plastic litter in developing countries”. Winterstetter A, Grodent M, Kini V, Ragaert K, Vrancken KCM, Sustainability 13, 4894 (2021). http://doi.org/10.3390/SU13094894
Abstract: Growing global plastic production combined with poor waste collection has led to increasing amounts of plastic debris being found in oceans, rivers and on shores. The goal of this study is to provide an overview on currently available technological solutions to tackle marine plastic litter and to assess their potential use in developing countries. To compile an inventory of technological solutions, a dedicated online platform was developed. A total of 51 out of initially 75 submitted solutions along the plastics value chain were assessed by independent experts. Collection systems represent more than half of the shortlisted solutions. A quarter include processing and treatment technologies, either as a stand-alone solution (30%) or, more commonly, in combination with a first litter capturing step. Ten percent offer digital solutions. The rest focuses on integrated waste management solutions. For each stage in the source-to-sea spectrum-land, rivers, sea-two illustrative examples are described in detail. This study concludes that the most cost-effective type of solution tackles land-based sources of marine litter and combines technology with people-oriented practices, runs on own energy sources, connects throughout the plastics value chain with a convincing valorization plan for captured debris, and involves all relevant stakeholders.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 1.789
DOI: 10.3390/SU13094894
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“Assessment of Thermal Transport Properties of Group-III Nitrides: A Classical Molecular Dynamics Study with Transferable Tersoff-Type Interatomic Potentials”. Karaaslan Y, Yapicioglu H, Sevik C, Physical Review Applied 13, 034027 (2020). http://doi.org/10.1103/PHYSREVAPPLIED.13.034027
Abstract: In this study, by means of classical molecular dynamics simulations, we investigate the thermal-transport properties of hexagonal single-layer, zinc-blend, and wurtzite phases of BN, AlN, and GaN crystals, which are very promising for the application and design of high-quality electronic devices. With this in mind, we generate fully transferable Tersoff-type empirical interatomic potential parameter sets by utilizing an optimization procedure based on particle-swarm optimization. The predicted thermal properties as well as the structural, mechanical, and vibrational properties of all materials are in very good agreement with existing experimental and first-principles data. The impact of isotopes on thermal transport is also investigated and between approximately 10 and 50% reduction in phonon thermal transport with random isotope distribution is observed in BN and GaN crystals. Our investigation distinctly shows that the generated parameter sets are fully transferable and very useful in exploring the thermal properties of systems containing these nitrides.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 4.6
DOI: 10.1103/PHYSREVAPPLIED.13.034027
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“Electrochemical profiling and liquid chromatography–mass spectrometry characterization of synthetic cathinones : from methodology to detection in forensic samples”. Schram J, Parrilla M, Sleegers N, Van Durme F, van den Berg J, van Nuijs ALN, De Wael K, Drug Testing And Analysis 13, 1282 (2021). http://doi.org/10.1002/DTA.3018
Abstract: The emergence of new psychoactive drugs in the market demands rapid and accurate tools for the on‐site classification of illegal and legal compounds with similar structures. Herein, a novel method for the classification of synthetic cathinones (SC) is presented based on their electrochemical profile. First, the electrochemical profile of five common SC (i.e., mephedrone, ethcathinone, methylone, butylone and 4‐chloro‐alpha‐pyrrolidinovalerophenone) is collected to build calibration curves using square wave voltammetry on graphite screen‐printed electrodes (SPE). Second, the elucidation of the oxidation pathways, obtained by liquid chromatography‐high resolution mass spectrometry, allows the pairing of the oxidation products to the SC electrochemical profile, providing a selective and robust classification. Additionally, the effect of common adulterants and illicit drugs on the electrochemical profile of the SC is explored. Interestingly, a cathodic pretreatment of the SPE allows the selective detection of each SC in presence of electroactive adulterants. Finally, the electrochemical approach is validated with gas‐chromatography‐mass spectrometry by analyzing 26 confiscated samples from seizures and illegal webshops. Overall, the electrochemical method exhibits a successful classification of SC including structural derivatives, a crucial attribute in an ever‐diversifying drug market.
Keywords: A1 Journal article; Pharmacology. Therapy; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre
Impact Factor: 3.469
DOI: 10.1002/DTA.3018
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“Enzyme immobilization on/in polymeric membranes : status, challenges and perspectives in biocatalytic membrane reactors (BMRs)”. Jochems P, Satyawali Y, Diels L, Dejonghe W, Green chemistry : cutting-edge research for a greener sustainable future 13, 1609 (2011). http://doi.org/10.1039/C1GC15178A
Abstract: Immobilization of enzymes is beneficial in terms of improving the process economics by enabling enzyme re-use and enhancing overall productivity and robustness. Increasingly, membranes are thought to be good supports for enzyme immobilization. These resulting biocatalytic membranes are integrated in reactors known as biocatalytic membrane reactors (BMRs) which enable the integration of biocatalysis and separation. Often the available commercial membranes require modifications to make them suitable for enzyme immobilization. Different immobilization techniques can be used on such suitable membranes, but no general rules exist for making a choice between them. Despite the advantages of BMR application, there are some issues which need to be addressed in order to achieve up-scaling of such systems. In this review, the different aspects of enzyme immobilization on membranes are discussed to show the complexity of this interdisciplinary technology. In addition, the existing issues which require further investigation are highlighted.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1039/C1GC15178A
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“Finding the optimal fatty acid composition for biodiesel improving the emissions of a one-cylinder diesel generator”. Maes RR, Potters G, Fransen E, Cayetano FC, Van Schaeren R, Lenaerts S, Sustainability 13, 12089 (2021). http://doi.org/10.3390/SU132112089
Abstract: Nitrogen oxides (NOx) and particulate matter (PM) currently are the main pollutants emitted by diesel engines. While there is a start in using hybrid and electric cars, ships will still be fueled by mineral oil products. In the quest to achieve zero-pollution and carbon-free shipping, alternative forms of energy carriers must be found to replace the commonly used mineral oil products. One of the possible alternative fuels is biodiesel. This paper explores the optimization of the composition of biodiesel in order to reduce the concentration of particulate matter and NOx in exhaust gases of a one-cylinder diesel generator.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 1.789
DOI: 10.3390/SU132112089
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“Heterogeneity effects in direct X-ray fluorescence analysis of hair”. Török S, Van Dyck P, Van Grieken R, X-ray spectrometry 13, 27 (1984). http://doi.org/10.1002/XRS.1300130106
Abstract: The methodology of direct hair analysis by energy-dispersive x-ray fluorescence was studied. The effect on the XRF result of having a non-homogeneous radial distribution of the analyte in a single hair strand and the macroscopic effects in a bundle of hairs were calculated to evaluate possible systematic errors. The detection limits were mapped as a function of the target thickness and surface fraction. It appeared that a 10 mg cm−2 sample thickness, i. e. a target with about four layers of hair strands, is recommended. The standard deviation of this simple direct analytical method is 619% for some important elements. Discrepancies with neutron activation analysis had a mean value of around 15%. About twelve elements can be determined simultaneously on a routine basis.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1002/XRS.1300130106
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“Kinetics of iron(II) oxidation in seawater of various pH”. Roekens EJ, Van Grieken RE, Marine chemistry 13, 195 (1983). http://doi.org/10.1016/0304-4203(83)90014-2
Abstract: The rate of iron(II) oxidation in North Sea water of pH 5.510 in the range 1025°C has been studied. The oxygenation rate depends linearly on the iron(II) and dissolved oxygen concentrations. The second-order dependence on [OH−], found by several investigators for synthetic solutions, was confirmed in seawater, but only for pOH > 6.9. For pOH < 5.9 the rate appeared to be independent of the pOH. In the intermediate range, pOH 5.96.9, corresponding to the natural pH of seawater, a first-order dependence on the pOH is obeyed. The important discrepancy in the literature between the second-order rate constant for NaCHO3 solutions and for seawater can be attributed predominantly to the incorrect assumption of a second-order pOH dependence in natural seawater. The results can be useful, for example, in predicting the effect of dumping acidic iron waste from the titanium-dioxide industry into the ocean.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/0304-4203(83)90014-2
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“Long-Term Stability Control of CVD-Grown Monolayer MoS2”. Sar H, Ozden A, Demiroglu I, Sevik C, Perkgoz NK, Ay F, Physica status solidi: rapid research letters 13, 1800687 (2019). http://doi.org/10.1002/PSSR.201800687
Abstract: The structural stability of 2D transition metal dichalcogenide (TMD) formations is of particular importance for their reliable device performance in nano-electronics and opto-electronics. Recent observations show that the CVD-grown TMD monolayers are likely to encounter stability problems such as cracking or fracturing when they are kept under ambient conditions. Here, two different growth configurations are investigated and a favorable growth geometry is proposed, which also sheds light onto the growth mechanism and provides a solution for the stability and fracture formation issues for TMDs specifically for MoS2 monolayers. It is shown that 18 months naturally and thermally aged MoS2 monolayer flakes grown using specifically developed conditions, retain their stability. To understand the mechanism of the structural deterioration, two possible effective mechanisms, S vacancy defects and growth-induced tensile stress, are assessed by the first principle calculations where the role of S vacancy defects in obtaining oxidation resistant MoS2 monolayer flakes is revealed to be rather more critical. Hence, these simulations, time-dependent observations and thermal aging experiments show that durability and stability of 2D MoS2 flakes can be controlled by CVD growth configuration.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
DOI: 10.1002/PSSR.201800687
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“Mineral dust variability in central West Antarctica associated with ozone depletion”. Cataldo M, Evangelista H, Simões JC, Godoi RHM, Simmonds I, Hollanda MH, Wainer I, Aquino F, Van Grieken R, Atmospheric chemistry and physics 13, 2165 (2013). http://doi.org/10.5194/ACP-13-2165-2013
Abstract: We present here data of mineral dust variability retrieved from an ice core of the central West Antarctic, spanning the last five decades. Main evidence provided by the geochemical analysis is that northerly air mass incursions to the coring site, tracked by insoluble dust microparticles, have declined over the past 50 yr. This result contrasts with dust records from ice cores reported to the coastal West Antarctic that show increases since mid-20th century. We attribute this difference to regional climatic changes due to the ozone depletion and its implications to westerly winds. We found that the diameters of insoluble microparticles in the central West Antarctica ice core are significantly correlated with cyclone depth (energy) and wind intensity around Antarctica.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.5194/ACP-13-2165-2013
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“Removal of a past varnish treatment from a 19th-century Belgian wall painting by means of a solvent-loaded double network hydrogel”. Al-Emam E, Beltran V, De Meyer S, Nuyts G, Wetemans V, De Wael K, Caen J, Janssens K, Polymers 13, 2651 (2021). http://doi.org/10.3390/POLYM13162651
Abstract: Polymeric materials have been used by painting conservator-restorers as consolidants and/or varnishes for wall paintings. The application of these materials is carried out when confronting loose paint layers or as a protective coating. However, these materials deteriorate and cause physiochemical alterations to the treated surface. In the past, the monumental neo-gothic wall painting 'The Last Judgment' in the chapel of Sint-Jan Berchmanscollege in Antwerp, Belgium was treated with a synthetic polymeric material. This varnish deteriorated significantly and turned brown, obscuring the paint layers. Given also that the varnish was applied to some parts of the wall painting and did not cover the entire surface, it was necessary to remove it in order to restore the original appearance of the wall painting. Previous attempts carried out by conservator-restorers made use of traditional cleaning methods, which led to damage of the fragile paint layers. Therefore, gel cleaning was proposed as a less invasive and more controllable method for gently softening and removing the varnish. The work started by identifying the paint stratigraphy and the deteriorated varnish via optical microscopy (OM), scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy (SEM-EDX), X-ray diffraction (XRD), and Fourier-transform infrared (FTIR) spectroscopy. A polyvinyl alcohol-borax/agarose (PVA-B/AG) hydrogel loaded with a number of solvents/solvent mixtures was employed in a series of tests to select the most suitable hydrogel composite. By means of the hydrogel composite loaded with 10% propylene carbonate, it was possible to safely remove the brown varnish layer. The results were verified by visual examinations (under visible light 'VIS' and ultraviolet light 'UV') as well as OM and FTIR spectroscopy.
Keywords: A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab); Antwerp X-ray Imaging and Spectroscopy (AXIS)
Impact Factor: 3.364
DOI: 10.3390/POLYM13162651
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“Use of laser microprobe mass analysis (LAMMA) for localizing multiple elements in soft and hard tissues”. Verbueken AH, van de Vijver FL, Visser WJ, Roels F, Van Grieken R, de Broe ME, Biological trace element research 13, 397 (1987). http://doi.org/10.1007/BF02796651
Abstract: The potential of laser microprobe mass analysis (LAMMA) as a sensitive microanalytical technique was explored in applications relevant to nephrology. Aluminum and associated elements, such as iron, were localized in fresh tissue biopsies obtained from uremic patients treatment by chronic hemodialysis. The LAMMA was applied to serum, liver, bone, and parathyroid glands of such patients. In addition, we used LAMMA to evaluate the specificity and sensitivity of routine histochemistry, in particular on human bone sections stained by the aluminon method. The high, multielemental sensitivity and molecular microprobe potential of LAMMA established important advantages over other microchemical methods forin situ analysis at the micron level in histological sections.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
DOI: 10.1007/BF02796651
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“Nitrogen Oxidation in a Multi-Pin Plasma System in the Presence and Absence of a Plasma/Liquid Interface”. Adhami Sayad Mahaleh M, Narimisa M, Nikiforov A, Gromov M, Gorbanev Y, Bitar R, Morent R, De Geyter N, Applied Sciences 13, 7619 (2023). http://doi.org/10.3390/app13137619
Abstract: The recent energy crisis revealed that there is a strong need to replace hydrocarbon-fueled industrial nitrogen fixation processes by alternative, more sustainable methods. In light of this, plasma-based nitrogen fixation remains one of the most promising options, considering both theoretical and experimental aspects. Lately, plasma interacting with water has received considerable attention in nitrogen fixation applications as it can trigger a unique gas- and liquid-phase chemistry. Within this context, a critical exploration of plasma-assisted nitrogen fixation with or without water presence is of great interest with an emphasis on energy costs, particularly in plasma reactors which have potential for large-scale industrial application. In this work, the presence of water in a multi-pin plasma system on nitrogen oxidation is experimentally investigated by comparing two pulsed negative DC voltage plasmas in metal–metal and metal–liquid electrode configurations. The plasma setups are designed to create similar plasma properties, including plasma power and discharge regime in both configurations. The system energy cost is calculated, considering nitrogen-containing species generated in gas and liquid phases as measured by a gas analyzer, nitrate sensor, and a colorimetry method. The energy cost profile as a function of specific energy input showed a strong dependency on the plasma operational frequency and the gas flow rate, as a result of different plasma operation regimes and initiated reverse processes. More importantly, the presence of the plasma/liquid interface increased the energy cost up to 14 ± 8%. Overall, the results showed that the presence of water in the reaction zone has a negative impact on the nitrogen fixation process.
Keywords: A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Impact Factor: 2.7
DOI: 10.3390/app13137619
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“Unraveling the Transport Properties of RONS across Nitro-Oxidized Membranes”. Abduvokhidov D, Yusupov M, Shahzad A, Attri P, Shiratani M, Oliveira MC, Razzokov J, Biomolecules 13, 1043 (2023). http://doi.org/10.3390/biom13071043
Abstract: The potential of cold atmospheric plasma (CAP) in biomedical applications has received significant interest, due to its ability to generate reactive oxygen and nitrogen species (RONS). Upon exposure to living cells, CAP triggers alterations in various cellular components, such as the cell membrane. However, the permeation of RONS across nitrated and oxidized membranes remains understudied. To address this gap, we conducted molecular dynamics simulations, to investigate the permeation capabilities of RONS across modified cell membranes. This computational study investigated the translocation processes of less hydrophilic and hydrophilic RONS across the phospholipid bilayer (PLB), with various degrees of oxidation and nitration, and elucidated the impact of RONS on PLB permeability. The simulation results showed that less hydrophilic species, i.e., NO, NO2, N2O4, and O3, have a higher penetration ability through nitro-oxidized PLB compared to hydrophilic RONS, i.e., HNO3, s-cis-HONO, s-trans-HONO, H2O2, HO2, and OH. In particular, nitro-oxidation of PLB, induced by, e.g., cold atmospheric plasma, has minimal impact on the penetration of free energy barriers of less hydrophilic species, while it lowers these barriers for hydrophilic RONS, thereby enhancing their translocation across nitro-oxidized PLB. This research contributes to a better understanding of the translocation abilities of RONS in the field of plasma biomedical applications and highlights the need for further analysis of their role in intracellular signaling pathways.
Keywords: A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
DOI: 10.3390/biom13071043
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“Atomistic model of the anisotropic response of ortho-Mo₂C to indentation”. Espinosa IMP, Karaaslan Y, Sevik C, Martini A, AIP advances 13, 065125 (2023). http://doi.org/10.1063/5.0150030
Abstract: Molybdenum carbide has various applications for which studying the material using classical molecular dynamics simulations would be valuable. Here, we develop an empirical potential within the Tersoff formalism using particle swarm optimization for the orthorhombic phase of Mo2C. The developed potential is shown to predict lattice constants, elastic properties, and equation of state results that are consistent with current and previously reported results from experiments and first principles calculations. We demonstrate the potential with simulations of indentation using multiple indenter sizes that load and unload in three different directions relative to the crystallographic lattice of orthorhombic Mo2C. Direction-dependent force-displacement trends are analyzed and explained in terms of the spatial distributions of stress and strain within the material during indentation. This study reveals the anisotropic elasticity of orthorhombic Mo2C and, more generally, provides researchers with a new empirical potential that can be used to explore the properties and behavior of the material going forward.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
DOI: 10.1063/5.0150030
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“Deep learning for automated materials characterisation in core-loss electron energy loss spectroscopy”. Annys A, Jannis D, Verbeeck J, Annys A, Jannis D, Verbeeck J, Scientific reports 13, 13724 (2023). http://doi.org/10.1038/S41598-023-40943-7
Abstract: Electron energy loss spectroscopy (EELS) is a well established technique in electron microscopy that yields information on the elemental content of a sample in a very direct manner. One of the persisting limitations of EELS is the requirement for manual identification of core-loss edges and their corresponding elements. This can be especially bothersome in spectrum imaging, where a large amount of spectra are recorded when spatially scanning over a sample area. This paper introduces a synthetic dataset with 736,000 labeled EELS spectra, computed from available generalized oscillator strength tables, that represents 107 K, L, M or N core-loss edges and 80 chemical elements. Generic lifetime broadened peaks are used to mimic the fine structure due to band structure effects present in experimental core-loss edges. The proposed dataset is used to train and evaluate a series of neural network architectures, being a multilayer perceptron, a convolutional neural network, a U-Net, a residual neural network, a vision transformer and a compact convolutional transformer. An ensemble of neural networks is used to further increase performance. The ensemble network is used to demonstrate fully automated elemental mapping in a spectrum image, both by directly mapping the predicted elemental content and by using the predicted content as input for a physical model-based mapping.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 4.6
DOI: 10.1038/S41598-023-40943-7
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