“The contribution of microbial biotechnology to sustainable development goals”. Timmis K, de Vos WM, Luis Ramos J, Vlaeminck SE, Prieto A, Danchin A, Verstraete W, de Lorenzo V, Lee SY, Brussow H, Timmis JK, Singh BK, Microbial biotechnology 10, 984 (2017). http://doi.org/10.1111/1751-7915.12818
Keywords: Editorial; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1111/1751-7915.12818
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“The Chemical Route to a Carbon Dioxide Neutral World”. Martens JA, Bogaerts A, De Kimpe N, Jacobs PA, Marin GB, Rabaey K, Saeys M, Verhelst S, Chemsuschem 10, 1039 (2017). http://doi.org/10.1002/cssc.201601051
Abstract: Excessive CO2 emissions in the atmosphere from anthropogenic activity can be divided into point sources and diffuse sources. The capture of CO2 from flue gases of large industrial installations and its conversion into fuels and chemicals with fast catalytic processes seems technically possible. Some emerging technologies are already being demonstrated on an industrial scale. Others are still being tested on a laboratory or pilot scale. These emerging chemical technologies can be implemented in a time window ranging from 5 to 20 years. The massive amounts of energy needed for capturing processes and the conversion of CO2 should come from low-carbon energy sources, such as tidal, geothermal, and nuclear energy, but also, mainly, from the sun. Synthetic methane gas that can be formed from CO2 and hydrogen gas is an attractive renewable energy carrier with an existing distribution system. Methanol offers advantages as a liquid fuel and is also a building block for the chemical industry. CO2 emissions from diffuse sources is a difficult problem to solve, particularly for CO2 emissions from road, water, and air transport, but steady progress in the development of technology for capturing CO2 from air is being made. It is impossible to ban carbon from the entire energy
supply of mankind with the current technological knowledge, but a transition to a mixed carbon–hydrogen economy can reduce net CO2 emissions and ultimately lead to a CO2-neutral world.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 7.226
Times cited: 75
DOI: 10.1002/cssc.201601051
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“The application of an electrochemical microflow reactor for the electrosynthetic aldol reaction of acetone to diacetone alcohol”. Pauwels D, Geboes B, Hereijgers J, Choukroun D, De Wael K, Breugelmans T, Chemical engineering research and design 128, 205 (2017). http://doi.org/10.1016/J.CHERD.2017.10.014
Abstract: The design and application of an electrochemical micro-flow reactor for the aldol reaction of acetone to diacetone alcohol (DAA) is reported. The modular reactor could be readily disassembled and reassembled to change the electrodes, incorporate a membrane and remove possible obstructions. The productivity and efficiency was quantified. Using a platinum deposit as electrocatalyst or an inert glassy carbon electrode as working electrode, the maximum obtainable equilibrium concentration of ±15 m% was reached after a single pass up to a flow rate of 8 ml min−1, yielding 0.57 g min−1 DAA (3.46 mmol cm−3 min−1) at an efficiency of 0.33 g C−1 on platinum and 0.50 g min−1 (3.04 mmol cm−3 min−1) at 1.20 g C−1 on glassy carbon. Note that no optimisation studies have been made in the present paper.
Keywords: A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP); Applied Electrochemistry & Catalysis (ELCAT)
Impact Factor: 2.538
Times cited: 2
DOI: 10.1016/J.CHERD.2017.10.014
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“The 2017 Plasma Roadmap: Low temperature plasma science and technology”. Adamovich I, Baalrud SD, Bogaerts A, Bruggeman PJ, Cappelli M, Colombo V, Czarnetzki U, Ebert U, Eden JG, Favia P, Graves DB, Hamaguchi S, Hieftje G, Hori M, Kaganovich ID, Kortshagen U, Kushner MJ, Mason NJ, Mazouffre S, Thagard SM, Metelmann H-R, Mizuno A, Moreau E, Murphy AB, Niemira BA, Oehrlein GS, Petrovic ZL, Pitchford LC, Pu Y-K, Rauf S, Sakai O, Samukawa S, Starikovskaia S, Tennyson J, Terashima K, Turner MM, van de Sanden MCM, Vardelle A, Journal of physics: D: applied physics 50, 323001 (2017). http://doi.org/10.1088/1361-6463/aa76f5
Abstract: Journal of Physics D: Applied Physics published the first Plasma Roadmap in 2012
consisting of the individual perspectives of 16 leading experts in the various sub-fields of low temperature plasma science and technology. The 2017 Plasma Roadmap is the first update of a planned series of periodic updates of the Plasma Roadmap. The continuously growing interdisciplinary nature of the low temperature plasma field and its equally broad range of applications are making it increasingly difficult to identify major challenges that encompass all of the many sub-fields and applications. This intellectual diversity is ultimately a strength of the field. The current state of the art for the 19 sub-fields addressed in this roadmap demonstrates the enviable track record of the low temperature plasma field in the development of plasmas as an enabling technology for a vast range of technologies that underpin our modern society. At the same time, the many important scientific and technological challenges shared in this roadmap show that the path forward is not only scientifically rich but has the potential to make wide and far reaching contributions to many societal challenges.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 246
DOI: 10.1088/1361-6463/aa76f5
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“Tailoring microstructure and superconducting properties in thick BaHfO3 and Ba2YNb/Ta)O-6 doped YBCO films on technical templates”. Sieger M, Pahlke P, Lao M, Eisterer M, Meledin A, Van Tendeloo G, Ottolinger R, Haenisch J, Holzapfel B, Usoskin A, Kursumovic A, MacManus-Driscoll JL, Stafford BH, Bauer M, Nielsch K, Schultz L, Huehne R, IEEE transactions on applied superconductivity 27, 6601407 (2017). http://doi.org/10.1109/TASC.2016.2644858
Abstract: The current transport capability of YBa2Cu3O7-x(YBCO) based coated conductors (CCs) is mainly limited by two features: the grain boundaries of the used textured template, which are transferred into the superconducting film through the buffer layers, and the ability to pin magnetic flux lines by incorporation of defined defects in the crystal lattice. By adjusting the deposition conditions, it is possible to tailor the pinning landscape in doped YBCO in order to meet specific working conditions (T, B) for CC applications. To study these effects, we deposited YBCO layers with a thickness of about 1-2 mu m using pulsed laser deposition on buffered rolling-assisted biaxially textured Ni-W substrates as well as on metal tapes having either an ion-beam-texturedYSZbuffer or an MgO layer textured by inclined substrate deposition. BaHfO3 and the mixed double-perovskite Ba2Y(Nb/Ta)O-6 were incorporated as artificial pinning centers in these YBCO layers. X-ray diffraction confirmed the epitaxial growth of the superconductor on these templates as well as the biaxially oriented incorporation of the secondary phase additions in the YBCO matrix. A critical current density J(c) of more than 2 MA/cm(2) was achieved at 77 K in self-field for 1-2 mu m thick films. Detailed TEM (transmission electron microscopy) studies revealed that the structure of the secondary phase can be tuned, forming c-axis aligned nanocolumns, ab-oriented platelets, or a combination of both. Transport measurements show that the J(c) anisotropy in magnetic fields is reduced by doping and the peak in the J(c) (theta) curves can be correlated to the microstructural features.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 12
DOI: 10.1109/TASC.2016.2644858
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“Synthesis, structure, and electrochemical properties of k-based sulfates K2M2(SO4)3) with M = Fe and Cu”. Lander L, Rousse G, Batuk D, Colin CV, Dalla Corte DA, Tarascon J-M, Inorganic chemistry 56, 2013 (2017). http://doi.org/10.1021/ACS.INORGCHEM.6B02526
Abstract: Stabilizing new host structures through potassium extraction from K-based polyanionic materials has been proven to be an interesting approach to develop new Li+/Na+ insertion materials. Pursuing the same trend, we here report the feasibility of preparing langbeinite “Fe-2(SO4)(3)” via electrochemical and chemical oxidation of K2Fe2(SO4)(3). Additionally, we succeeded in stabilizing a new K2Cu2(SO4)(3) phase via a solid-state synthesis approach. This novel compound crystallizes in a complex orthorhombic structure that differs from that of langbeinite as deduced from synchrotron X-ray and neutron powder diffraction. Electrochemically, the performance of this new phase is limited, which we explain in terms of sluggish diffusion kinetics. We further show that K2Cu2(SO4)(3) decomposes into K2Cu3O(SO4)(3) on heating, and we report for the first time the synthesis of fedotovite K2Cu3O(SO4)(3). Finally, the fundamental attractiveness of these S = 1/2 systems for physicists is examined by neutron magnetic diffraction, which reveals the absence of a long-range ordering of Cu2+ magnetic moments down to 1.5 K.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.857
Times cited: 13
DOI: 10.1021/ACS.INORGCHEM.6B02526
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“Synthesis of Micro- and Nanomaterials in CO2and CO Dielectric Barrier Discharges: Synthesis of Micro- and Nanomaterials…”. Belov I, Vanneste J, Aghaee M, Paulussen S, Bogaerts A, Plasma processes and polymers 14, 1600065 (2017). http://doi.org/10.1002/ppap.201600065
Abstract: Dielectric Barrier Discharges operating in CO and CO2 form solid products at atmospheric pressure. The main differences between both plasmas and their deposits were analyzed, at similar energy input. GC measurements revealed a mixture of CO2, CO, and O2 in the CO2 DBD exhaust, while no O2 was found in the CO plasma. A coating of nanoparticles composed of Fe, O, and C was produced by the CO2 discharge, whereas, a microscopic dendrite-like carbon structure was formed in the CO plasma. Fe3O4 and Fe crystalline phases were found in the CO2 sample. The CO
deposition was characterized as an amorphous structure, close to polymeric CO (p-CO). Interestingly, p-CO is not formed in the CO2 plasma, in spite of the significant amounts of CO produced (up to 30% in the reactor exhaust).
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 10
DOI: 10.1002/ppap.201600065
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“Synthesis of MAX Phases in the Zr-Ti-Al-C System”. Tunca B, Lapauw T, Karakulina OM, Batuk M, Cabioc’h T, Hadermann J, Delville R, Lambrinou K, Vleugels J, Inorganic chemistry 56, 3489 (2017). http://doi.org/10.1021/acs.inorgchem.6b03057
Abstract: This study reports on the synthesis and characterization of MAX phases in the (Zr,Ti)n+1AlCn system. The MAX phases were synthesized by reactive hot pressing and pressureless sintering in the 1350–1700 °C temperature range. The produced ceramics contained large fractions of 211 and 312 (n = 1, 2) MAX phases, while strong evidence of a 413 (n = 3) stacking was found. Moreover, (Zr,Ti)C, ZrAl2, ZrAl3, and Zr2Al3 were present as secondary phases. In general, the lattice parameters of the hexagonal 211 and 312 phases followed Vegard’s law over the complete Zr-Ti solid solution range, but the 312 phase showed a non-negligible deviation from Vegard’s law around the (Zr0.33,Ti0.67)3Al1.2C1.6 stoichiometry. High-resolution scanning transmission electron microscopy combined with X-ray diffraction demonstrated ordering of the Zr and Ti atoms in the 312 phase, whereby Zr atoms occupied preferentially the central position in the close-packed M6X octahedral layers. The same ordering was also observed in 413 stackings present within the 312 phase. The decomposition of the secondary (Zr,Ti)C phase was attributed to the miscibility gap in the ZrC-TiC system.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.857
Times cited: 26
DOI: 10.1021/acs.inorgchem.6b03057
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“Synthesis of Li-Rich NMC : a comprehensive study”. Pimenta V, Sathiya M, Batuk D, Abakumov AM, Giaume D, Cassaignon S, Larcher D, Tarascon J-M, Chemistry of materials 29, 9923 (2017). http://doi.org/10.1021/ACS.CHEMMATER.7B03230
Abstract: <script type='text/javascript'>document.write(unpmarked('Li-rich NMC are considered nowadays as one of the most promising candidates for high energy density cathodes. One significant challenge is nested in adjusting their synthesis conditions to reach optimum electrochemical performance, but no consensus has been reached yet on the ideal synthesis protocol. Herein, we revisited the elaboration of Li-rich NMC electrodes by focusing on the science involved through each synthesis steps using carbonate Ni0.1625Mn0.675Co0.1625CO3 precursor coprecipitation combined with solid state synthesis. We demonstrated the effect of precursors concentration on the kinetics of the precipitation reaction and provided clues to obtain spherically agglomerated NMC carbonates of different sizes. Moreover, we highlighted the strong impact of the Li2CO3/NMC carbonate ratio on the morphology and particles size of Li-rich NMC and subsequently on their electrochemical performance. Ratio of 1.35 was found to reproducibly give the best performance with namely a first discharge capacity of 269 mAh g(-1) and capacity retention of 89.6% after 100 cycles. We hope that our results, which reveal how particle size, morphology, and phase composition affect the materials electrochemical performance, will help in reconciling literature data while providing valuable fundamental information for up scaling approaches.'));
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 23
DOI: 10.1021/ACS.CHEMMATER.7B03230
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“Synthesis and in vitro investigation of halogenated 1,3-bis(4-nitrophenyl)triazenide salts as antitubercular compounds”. Torfs E, Vajs J, Bidart de Macedo M, Cools F, Vanhoutte B, Gorbanev Y, Bogaerts A, Verschaeve L, Caljon G, Maes L, Delputte P, Cos P, Komrlj J, Cappoen D, Chemical biology and drug design , 1 (2017). http://doi.org/10.1111/CBDD.13087
Abstract: The diverse pharmacological properties of the diaryltriazenes have sparked the interest to investigate their potential to be repurposed as antitubercular drug candidates. In an attempt to improve the antitubercular activity of a previously constructed diaryltriazene library, eight new halogenated nitroaromatic triazenides were synthesized and underwent biological evaluation. The potency of the series was confirmed against the Mycobacterium tuberculosis lab strain H37Ra, and for the most potent derivative, we observed a minimal inhibitory concentration of 0.85 μm. The potency of the triazenide derivatives against M. tuberculosis H37Ra was found to be highly dependent on the nature of the halogenated phenyl substituent and less dependent on cationic species used for the preparation of the salts. Although the inhibitory concentration against J774A.1 macrophages was observed at 3.08 μm, the cellular toxicity was not mediated by the generation of nitroxide intermediate as confirmed by electron paramagnetic resonance spectroscopy, whereas no in vitro mutagenicity could be observed for the new halogenated nitroaromatic triazenides when a trifluoromethyl substituent was present on both the aryl moieties.
Keywords: A1 Journal article; Pharmacology. Therapy; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.396
Times cited: 5
DOI: 10.1111/CBDD.13087
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“Synergistic effect of electric field and lipid oxidation on the permeability of cell membranes”. Yusupov M, Van der Paal J, Neyts EC, Bogaerts A, Biochimica et biophysica acta : G : general subjects 1861, 839 (2017). http://doi.org/10.1016/j.bbagen.2017.01.030
Abstract: Background: Strong electric fields are knownto affect cell membrane permeability,which can be applied for therapeutic purposes, e.g., in cancer therapy. A synergistic enhancement of this effect may be accomplished by the presence of reactive oxygen species (ROS), as generated in cold atmospheric plasmas. Little is known about the synergy between lipid oxidation by ROS and the electric field, nor on howthis affects the cell membrane permeability.
Method: We here conduct molecular dynamics simulations to elucidate the dynamics of the permeation process under the influence of combined lipid oxidation and electroporation. A phospholipid bilayer (PLB), consisting of di-oleoyl-phosphatidylcholine molecules covered with water layers, is used as a model system for the plasma membrane.
Results and conclusions:Weshow howoxidation of the lipids in the PLB leads to an increase of the permeability of the bilayer to ROS, although the permeation free energy barriers still remain relatively high. More importantly, oxidation of the lipids results in a drop of the electric field threshold needed for pore formation (i.e., electroporation) in the PLB. The created pores in the membrane facilitate the penetration of reactive plasma species deep into the cell interior, eventually causing oxidative damage.
General significance: This study is of particular interest for plasma medicine, as plasma generates both ROS and electric fields, but it is also of more general interest for applications where strong electric fields and ROS both come into play.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.702
DOI: 10.1016/j.bbagen.2017.01.030
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“Synchroton X-ray powder diffraction study of lead white oxidation by sodium hypochloride”. Clerici EA, De Meyer S, van der Snickt G, Janssens K, , 13 (2017)
Keywords: P1 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Sustainable cropping pattern in North Iran : application of fuzzy goal programming”. Joolaie R, Sarvestani AA, Taheri F, Van Passel S, Azadi H, Environment, development and sustainability 19, 2199 (2017). http://doi.org/10.1007/S10668-016-9849-9
Abstract: Due to the important role that the application of mathematical programming models have in determining optimal cropping patterns, this research presents a sustainable cropping pattern that considers selected economic, environmental, and social goals together. Using a random sampling method, a sample size of 168 farmers was selected in the Sari County, Iran. Our results showed that economic, self-sufficiency, environmental, and social goals have a distinctly different impact on cropping pattern performance. Compared to the current cropping pattern, the gross margins for economic and social goals increased by nearly 11 and 2 %, respectively, and the gross margins for self-sufficiency and environmental goals decreased by nearly 2 and 36 %. Interestingly, it has been found that the performance of the current cropping pattern has an average positive impact of 6 % if economic, self-sufficiency, environmental, and social (employment) goals are realized simultaneously.
Keywords: A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Times cited: 2
DOI: 10.1007/S10668-016-9849-9
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“Surface states and positron annihilation spectroscopy: results and prospects from a first-principles approach”. Callewaert V, Saniz R, Barbiellini B, Partoens B, Journal of physics : conference series 791, 012036 (2017). http://doi.org/10.1088/1742-6596/791/1/012036
Abstract: The trapping of positrons at the surface of a material can be exploited to study quite selectively the surface properties of the latter by means of positron annihilation spectroscopy techniques. To support these, it is desirable to be able to theoretically predict the existence of such positronic surface states and to describe their annihilation characteristics with core or valence surface electrons in a reliable way. Here, we build on the well-developed first-principles techniques for the study of positrons in bulk solids as well as on previous models for surfaces, and investigate two schemes that can improve the theoretical description of the interaction of positrons with surfaces. One is based on supplementing the local-density correlation potential with the corrugated image potential at the surface, and the other is based on the weighted-density approximation to correlation. We discuss our results for topological insulators, graphene layers, and quantum dots, with emphasis on the information that can be directly related to experiment. We also discuss some open theoretical problems that should be addressed by future research.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Times cited: 1
DOI: 10.1088/1742-6596/791/1/012036
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“Supramolecular thermoplastics and thermoplastic elastomer materials with self-healing ability based on oligomeric charged triblock copolymers”. Voorhaar L, Diaz MM, Leroux F, Rogers S, Abakumov AM, Van Tendeloo G, Van Assche G, Van Mele B, Hoogenboom R, NPG Asia materials 9, e385 (2017). http://doi.org/10.1038/AM.2017.63
Abstract: Supramolecular polymeric materials constitute a unique class of materials held together by non-covalent interactions. These dynamic supramolecular interactions can provide unique properties such as a strong decrease in viscosity upon relatively mild heating, as well as self-healing ability. In this study we demonstrate the unique mechanical properties of phase-separated electrostatic supramolecular materials based on mixing of low molar mass, oligomeric, ABA-triblock copolyacrylates with oppositely charged outer blocks. In case of well-chosen mixtures and block lengths, the charged blocks are phase separated from the uncharged matrix in a hexagonally packed nanomorphology as observed by transmission electron microscopy. Thermal and mechanical analysis of the material shows that the charged sections have a T-g closely beyond room temperature, whereas the material shows an elastic response at temperatures far above this T-g ascribed to the electrostatic supramolecular interactions. A broad set of materials having systematic variations in triblock copolymer structures was used to provide insights in the mechanical properties and and self-healing ability in correlation with the nanomorphology of the materials.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.157
Times cited: 8
DOI: 10.1038/AM.2017.63
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“Sulphidotrophic denitrification treating regeneration water from ion exchange at high performance and low opex”. Vlaeminck SE, Kobayashi K, Jandra J, Van Nevel S, Vandekerckhove TGL, , 3 p.
T2 (2017)
Keywords: P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
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“Sulfur-alloyed Cr2O3: a new p-type transparent conducting oxide host”. Dabaghmanesh S, Saniz R, Neyts E, Partoens B, RSC advances 7, 4453 (2017). http://doi.org/10.1039/C6RA27852C
Abstract: Doped Cr2O3 has been shown to be a p-type transparent conducting oxide (TCO). Its conductivity, however, is low. As for most p-type TCOs, the main problem is the high effective hole mass due to flat valence bands. We use first-principles methods to investigate whether one can increase the valence band dispersion (i.e. reduce the hole mass) by anion alloying with sulfur, while keeping the band gap large enough for transparency. The alloying concentrations considered are given by Cr(4)SxO(6-x), with x = 1-5. To be able to describe the electronic properties of these materials accurately, we first study Cr2O3, examining critically the accuracy of different density functionals and methods, including PBE, PBE+U, HSE06, as well as perturbative approaches within the GW approximation. Our results demonstrate that Cr4S2O4 has an optical band gap of 3.08 eV and an effective hole mass of 1.8 m(e). This suggests Cr4S2O4 as a new p-type TCO host candidate.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.108
Times cited: 9
DOI: 10.1039/C6RA27852C
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Friedman PC, Miller V, Fridman G, Lin A, Fridman A (2017) Successful treatment of actinic keratoses using nonthermal atmospheric pressure plasma : a case series. 349–350
Keywords: L1 Letter to the editor; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
DOI: 10.1016/J.JAAD.2016.09.004
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“Study of the uniformity of aerosol filters by scanning MA-XRF”. Cabal A, Legrand S, Van den Bril B, Tote K, Janssens K, van Espen P, X-ray spectrometry
T2 –, 17th European Conference on X-Ray Spectrometry (EXRS), JUN 19-24, 2016, Univ Gothenburg, Univ Gothenburg, Gothenburg, SWEDEN 46, 461 (2017). http://doi.org/10.1002/XRS.2767
Abstract: Energy-dispersive X-ray fluorescence (XRF) is an attractive analytical method to determine the level of air pollution by heavy metals. The concentration of the filter in ng/cm(2) is obtained by direct comparison of the net characteristic line intensity of an element with that of a thin film standard. As the sampled area on the filter and the area of the standard are larger than the area analysed by the instrument, the distribution of the elements on the surface of both samples and standards have to be sufficiently uniform. If this is not the case, biased concentration estimates are obtained. Two scanning macro-XRF setups with a beam diameter of similar to 0.5 mm were used to investigate the distribution of elements in (1) commercially available (Micromatter) standards, (2) in-house quartz filter standards obtained with an aerosol generator and (3) particulatematter (PM10) collected on quartz filters by a Leckel SEQ 47/50 sampler. The uniformity of the Micromatter standards was better than 2%. At least some in-house standards showed a concave distribution with less material at the edges. The maximum bias introduced by this is less than 5%. Because of the limited sensitivity of scanning XRF compared with conventional XRF, the distribution of only a few common elements like Ca and Fe could be determined reliably in aerosol filters. The distribution of some heavy elements could only be measured in filters sampled in polluted regions. In general, the loading of particulate matter over the filters was uniform. Copyright (C) 2017 John Wiley & Sons, Ltd.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 1.298
Times cited: 4
DOI: 10.1002/XRS.2767
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“Study of positive and negative plasma catalytic oxidation of ethylene”. Van Wesenbeeck K, Hauchecorne B, Lenaerts S, Environmental technology 38, 1554 (2017). http://doi.org/10.1080/09593330.2016.1237553
Abstract: The effect of introducing a photocatalytically active coating inside a plasma unit is investigated. This technique combines the advantages of high product selectivity from catalysis and the fast start-up from plasma technology. In this study, a preselected TiO2 coating is applied on the collector electrode of a DC corona discharge unit as non-thermal plasma reactor, in order to study the oxidation of ethylene. For both positive and negative polarities an enhanced mineralization is observed while the formation of by-products drastically decreases. The plasma catalytic unit gave the best results when using negative polarity at a voltage of 15kV. This shows the potential of plasma catalysis as indoor air purification technology.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 1.751
Times cited: 1
DOI: 10.1080/09593330.2016.1237553
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Keulemans M (2017) Study of electron transfer processes in plasmonic photocatalysis. 170 p
Keywords: Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
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“Structures and spectroscopic properties of sulfur-nitrogen-pnictogen chains : R2P-N=S=N-PR2 and R2P-N=S=N-AsR2”. Bal KM, Cautereels J, Blockhuys F, Journal of molecular structure 1132, 102 (2017). http://doi.org/10.1016/J.MOLSTRUC.2016.08.008
Abstract: The conformational and configurational preferences of Me2PNSNPMe2 (3) and Me2PNSNAsMe2 (4) have been identified using quantum chemical calculations at the DFT/B3LYP/6-311+G* level of theory. An approach in which energetic, structural (geometries and bond orders), electronic (analysis of the electron density) and spectroscopic properties are combined leads to the conclusion that these sulfur-nitrogen-pnictogen chains share many of the properties of their chalcogen-nitrogen analogues but that the through-space intramolecular interactions favouring the Z,Z configuration are even weaker than in these latter compounds. The results of this analysis also lead to an unambiguous assignment of the variable-temperature 31P and 15N NMR spectra of these compounds and their structures both in solution and in the solid state.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.753
DOI: 10.1016/J.MOLSTRUC.2016.08.008
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“Structure-property relations of methylamine vapor treated hybrid perovskite CH3NH3PbI3 films and solar cells”. Conings B, Bretschneider SA, Babayigit A, Gauquelin N, Cardinaletti I, Manca JV, Verbeeck J, Snaith HJ, Boyen H-G, ACS applied materials and interfaces 9, 8092 (2017). http://doi.org/10.1021/acsami.6b15175
Abstract: The power conversion efficiency of halide perovskite solar cells is heavily dependent on the perovskite layer being sufficiently smooth and pinhole-free. It has been shown that these features can be obtained even when starting out from rough and discontinuous perovskite film, by briefly exposing it to methylamine (MA) vapor. The exact underlying physical mechanisms of this phenomenon are, however, still unclear. By investigating smooth, MA treated films, based on very rough and discontinuous reference films of methylammonium triiode (MAPbI3), considering their morphology, crystalline features, local conductive properties, and charge carrier lifetime, we unravel the relation between their characteristic physical qualities and their performance in corresponding solar cells. We discover that the extensive improvement in photovoltaic performance upon MA treatment is a consequence of the induced morphological enhancement of the perovskite layer, together with improved electron injection into TiO2, which in fact compensates for an otherwise compromised bulk electronic quality, simultaneously caused by the MA treatment.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 7.504
Times cited: 43
DOI: 10.1021/acsami.6b15175
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Paria Sena R (2017) Structure characterization of triple perovskites and related systems by transmission electron microscopy. Antwerpen
Keywords: Doctoral thesis; Electron microscopy for materials research (EMAT)
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“Structure and vacancy distribution in copper telluride nanoparticles influence plasmonic activity in the near-infrared”. Willhammar T, Sentosun K, Mourdikoudis S, Goris B, Kurttepeli M, Bercx M, Lamoen D, Partoens B, Pastoriza-Santos I, Pérez-Juste J, Liz-Marzán LM, Bals S, Van Tendeloo G, Nature communications 8, 14925 (2017). http://doi.org/10.1038/ncomms14925
Abstract: Copper chalcogenides find applications in different domains including photonics, photothermal therapy and photovoltaics. CuTe nanocrystals have been proposed as an alternative to noble metal particles for plasmonics. Although it is known that deviations from stoichiometry are a prerequisite for plasmonic activity in the near-infrared, an accurate description of the material and its (optical) properties is hindered by an insufficient understanding of the atomic structure and the influence of defects, especially for materials in their nanocrystalline form. We demonstrate that the structure of Cu1.5±xTe nanocrystals canbe determined using electron diffraction tomography. Real-space high-resolution electron tomography directly reveals the three-dimensional distribution of vacancies in the structure. Through first-principles density functional theory, we furthermore demonstrate that the influence of these vacancies on the optical properties of the nanocrystals is determined. Since our methodology is applicable to a variety of crystalline nanostructured materials, it is expected to provide unique insights concerning structure–property correlations.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Impact Factor: 12.124
Times cited: 37
DOI: 10.1038/ncomms14925
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“Structure and reentrant percolation in an inverse patchy colloidal system”. de Araujo JLB, Munarin FF, Farias GA, Peeters FM, Ferreira WP, Physical Review E 95, 062606 (2017). http://doi.org/10.1103/PHYSREVE.95.062606
Abstract: Two-dimensional systems of inverse patchy colloids modeled as disks with a central charge and having their surface decorated with oppositely pointlike charged patches are investigated using molecular dynamics simulations. The self-assembly of the patchy colloids leads to diverse ground state configurations ranging from crystalline arrangements of monomers to linear clusters, ramified linear clusters and to percolated configurations. Two structural phase diagrams are constructed: (1) as a function of the net charge and area fraction, and (2) as a function of the net charge and the range of the pair interaction potential. An interesting reentrant percolation transition is obtained as a function of the net charge of the colloids. We identify distinct mechanisms that lead to the percolation transition.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Times cited: 5
DOI: 10.1103/PHYSREVE.95.062606
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“Structure and magnetic properties of Sm(Fe,Si)(9)C/alpha-Fe nanocomposite magnets”. Bez R, Zehani K, Batuk M, Van Tendeloo G, Mliki N, Bessais L, Journal of alloys and compounds 695, 810 (2017). http://doi.org/10.1016/J.JALLCOM.2016.10.122
Abstract: SmFe8.75 Si-0.25 C/alpha-Fe nanocomposites have been successfully synthesized using high energy milling, followed by annealing at 750 degrees C. The crystal structure of these compounds was characterized by the Rietveld method using powder X-ray diffraction data. By increasing the concentration of Sm, we observed a decrease in the amount of alpha-Fe phase. The morphology of the samples was determined by scanning and transmission electron microscopy. The average grain size is about 20 nm. The magnetic properties were investigated at room temperature and at 10 K. A ferromagnetic behavior was observed in all samples at both temperatures. An increase of the soft magnetic phase alpha-Fe induced an increase in the magnetization and a decrease in coercivity. (C) 2016 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 3.133
Times cited: 1
DOI: 10.1016/J.JALLCOM.2016.10.122
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“Structural characterization of SnS crystals formed by chemical vapour deposition”. Mehta AN, Zhang H, Dabral A, Richard O, Favia P, Bender H, Delabie A, Caymax M, Houssa M, Pourtois G, Vandervorst W, Journal of microscopy
T2 –, 20th International Conference on Microscopy of Semiconducting Materials, (MSM), APR 09-13, 2017, Univ Oxford, Univ Oxford, Oxford, ENGLAND 268, 276 (2017). http://doi.org/10.1111/JMI.12652
Abstract: <script type='text/javascript'>document.write(unpmarked('The crystal and defect structure of SnS crystals grown using chemical vapour deposition for application in electronic devices are investigated. The structural analysis shows the presence of two distinct crystal morphologies, that is thin flakes with lateral sizes up to 50 m and nanometer scale thickness, and much thicker but smaller crystallites. Both show similar Raman response associated with SnS. The structural analysis with transmission electron microscopy shows that the flakes are single crystals of -SnS with [010] normal to the substrate. Parallel with the surface of the flakes, lamellae with varying thickness of a new SnS phase are observed. High-resolution transmission electron microscopy (TEM), scanning transmission electron microscopy (STEM), first-principles simulations (DFT) and nanobeam diffraction (NBD) techniques are employed to characterise this phase in detail. DFT results suggest that the phase is a strain stabilised \u0027 one grown epitaxially on the -SnS crystals. TEM analysis shows that the crystallites are also -SnS with generally the [010] direction orthogonal to the substrate. Contrary to the flakes the crystallites consist of two to four grains which are tilted up to 15 degrees relative to the substrate. The various grain boundary structures and twin relations are discussed. Under high-dose electron irradiation, the SnS structure is reduced and -Sn formed. It is shown that this damage only occurs for SnS in direct contact with SiO2. Lay description SnS is a p-type semiconductor, which has attracted significant interest for electronic devices due to its unique properties, low-toxicity and abundance of Sn in nature. Although in the past it has been most extensively studied as the absorber material in solar cells, it has recently garnered interest for application as a p-type two-dimensional semiconductor in nanoelectronic devices due to its anisotropic layered structure similar to the better known phosphorene. Tin sulphide can take the form of several phases and the electronic properties of the material depend strongly on its crystal structure. It is therefore crucial to study the crystal structure of the material in order to predict the electronic properties and gain insight into the growth mechanism. In this work, SnS crystals deposited using a chemical vapour deposition technique are investigated extensively for their crystal and defect structure using transmission electron microscopy (TEM) and related techniques. We find the presence of two distinct crystal morphologies, that is thin flakes with lateral sizes up to 50 m and nm scale thickness, and much thicker but smaller crystallites. The flakes are single crystals of -SnS and contain lamellae with varying thickness of a different phase which appear to be -SnS at first glance. High-resolution scanning transmission electron microscopy is used to characterise these lamellae where the annular bright field (ABF) mode better reveals the position of the sulphur columns. The sulphur columns in the lamellae are found to be shifted relative to the -SnS structure which indicates the formation of a new phase which is a distorted version of the phase which we tentatively refer to as \u0027-SnS. Simulations based on density functional theory (DFT) are used to model the interface and a similar shift of sulphur columns in the -SnS layer is observed which takes place as a result of strong interaction at the interface between the two phases resulting in strain transfer. Nanobeam electron diffraction (NBD) is used to map the lattice mismatch in the thickness of the flakes which reveals good in-plane matching and some expansion out-of-plane in the lamellae. Contrary to the flakes the crystallites are made solely of -SnS and consist of two to four grains which are tilted up to 15 degrees relative to the substrate. The various grain boundary structures and twin relations are discussed. At high electron doses, SnS is reduced to -Sn, however the damage occurs only for SnS in direct contact with SiO2.'));
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.692
Times cited: 2
DOI: 10.1111/JMI.12652
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“Structural and electronic properties of defects at grain boundaries in CuInSe2”. Saniz R, Bekaert J, Partoens B, Lamoen D, Physical chemistry, chemical physics 19, 14770 (2017). http://doi.org/10.1039/C7CP02033C
Abstract: We report on a first-principles study of the structural and electronic properties of a Sigma3 (112) grain boundary model in CuInSe2. The study focuses on a coherent, stoichiometry preserving, cation–Se terminated grain boundary, addressing the properties of the grain boundary as such, as well as the effect
of well known defects in CuInSe2. We show that in spite of its apparent simplicity, such a grain boundary exhibits a very rich phenomenology, providing an explanation for several of the experimentally observed properties of grain boundaries in CuInSe2 thin films. In particular, we show that the combined effect of Cu vacancies and cation antisites can result in the observed Cu depletion with no In enrichment at the grain boundaries. Furthermore, Cu vacancies are unlikely to produce a hole barrier at the grain boundaries, but Na may indeed have such an effect. We find that Na-on-Cu defects will tend to form abundantly at
the grain boundaries, and can provide a mechanism for the carrier depletion and/or type inversion experimentally reported.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Impact Factor: 4.123
Times cited: 12
DOI: 10.1039/C7CP02033C
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“Strong anisotropic optical conductivity in two-dimensional puckered structures : the role of the Rashba effect”. Saberi-Pouya S, Vazifehshenas T, Salavati-Fard T, Farmanbar M, Peeters FM, Physical review B 96, 075411 (2017). http://doi.org/10.1103/PHYSREVB.96.075411
Abstract: within the Kubo formalism. We show that the anisotropic Rashba effect caused by an external field significantly changes the magnitude of the spin splitting. Furthermore, we obtain an analytical expression for the longitudinal optical conductivity associated with interband transitions as a function of the frequency for arbitrary polarization angle. We find that the diagonal components of the optical conductivity tensor are direction dependent and the optical absorption spectrum exhibits a strongly anisotropic absorption window. The height and width of this absorption window are very sensitive to the anisotropy of the system. While the height of absorption peak increases with increasing effective mass anisotropy ratio, the peak intensity is larger when the light polarization is along the armchair direction. Moreover, the absorption peak width becomes broader as the density-of-states mass or Rashba interaction is enhanced. These features in the optical absorption spectrum can be used to determine parameters relevant for spintronics.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 16
DOI: 10.1103/PHYSREVB.96.075411
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