“Euroanalysis 14: the European Conference on Analytical Chemistry”. Janssens K, van Espen P, Van 't dack L, Analytical and bioanalytical chemistry 391, 1107 (2008). http://doi.org/10.1007/S00216-008-2114-9
Keywords: Editorial; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3)
Impact Factor: 3.431
DOI: 10.1007/S00216-008-2114-9
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“XRDUA : crystalline phase distribution maps by two-dimensional scanning and tomographic (micro) X-ray powder diffraction”. de Nolf W, Vanmeert F, Janssens K, Journal of applied crystallography 47, 1107 (2014). http://doi.org/10.1107/S1600576714008218
Abstract: Imaging of crystalline phase distributions in heterogeneous materials, either plane projected or in virtual cross sections of the object under investigation, can be achieved by scanning X-ray powder diffraction employing X-ray micro beams and X-ray-sensitive area detectors. Software exists to convert the two-dimensional powder diffraction patterns that are recorded by these detectors to one-dimensional diffractograms, which may be analysed by the broad variety of powder diffraction software developed by the crystallography community. However, employing these tools for the construction of crystalline phase distribution maps proves to be very difficult, especially when employing micro-focused X-ray beams, as most diffraction software tools have mainly been developed having structure solution in mind and are not suitable for phase imaging purposes. XRDUA has been developed to facilitate the execution of the complete sequence of data reduction and interpretation steps required to convert large sequences of powder diffraction patterns into a limited set of crystalline phase maps in an integrated fashion.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Times cited: 62
DOI: 10.1107/S1600576714008218
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“Cost-efficient emission abatement of energy and transportation technologies : mitigation costs and policy impacts for Belgium”. De Schepper E, Van Passel S, Lizin S, Achten WMJ, Van Acker K, Clean Technologies And Environmental Policy 16, 1107 (2014). http://doi.org/10.1007/S10098-014-0713-Z
Abstract: In the light of global warming, this paper develops a framework to compare energy and transportation technologies in terms of cost-efficient GHG emission reduction. We conduct a simultaneous assessment of economic and environmental performances through life cycle costing and life cycle assessment. To calculate the GHG mitigation cost, we create reference systems within the base scenario. Further, we extend the concept of the mitigation cost, allowing (i) comparision of technologies given a limited investment resource, and (ii) evaluation of the direct impact of policy measures by means of the subsidized mitigation cost. The framework is illustrated with a case of solar photovoltaics (PV), grid powered battery electric vehicles (BEVs), and solar powered BEVs for a Belgian small and medium sized enterprise. The study's conclusions are that the mitigation cost of solar PV is high, even though this is a mature technology. The emerging mass produced BEVs on the other hand are found to have a large potential for cost-efficient GHG mitigation as indicated by their low cost of mitigation. Finally, based on the subsidized mitigation cost, we conclude that the current financial stimuli for all three investigated technologies are excessive when compared to the CO2 market value under the EU Emission Trading Scheme.
Keywords: A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
Impact Factor: 3.331
Times cited: 14
DOI: 10.1007/S10098-014-0713-Z
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“High-resolution electron microscopy for semiconducting materials science”. van Landuyt J, Vanhellemont J Elsevier, Amsterdam, page 1109 (1994).
Keywords: H3 Book chapter; Electron microscopy for materials research (EMAT)
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“Synergistic Effects of Melittin and Plasma Treatment: A Promising Approach for Cancer Therapy”. Shaw P, Kumar N, Hammerschmid D, Privat-Maldonado A, Dewilde S, Bogaerts A, Cancers 11, 1109 (2019). http://doi.org/10.3390/cancers11081109
Abstract: Melittin (MEL), a small peptide component of bee venom, has been reported to exhibit anti-cancer effects in vitro and in vivo. However, its clinical applicability is disputed because of its non-specific cytotoxicity and haemolytic activity in high treatment doses. Plasma-treated phosphate buffered saline solution (PT-PBS), a solution rich in reactive oxygen and nitrogen species (RONS) can disrupt the cell membrane integrity and induce cancer cell death through oxidative stress-mediated pathways. Thus, PT-PBS could be used in combination with MEL to facilitate its access into cancer cells and to reduce the required therapeutic dose. The aim of our study is to determine the reduction of the effective dose of MEL required to eliminate cancer cells by its combination with PT-PBS. For this purpose, we have optimised the MEL threshold concentration and tested the combined treatment of MEL and PT-PBS on A375 melanoma and MCF7 breast cancer cells, using in vitro, in ovo and in silico approaches. We investigated the cytotoxic effect of MEL and PT-PBS alone and in combination to reveal their synergistic cytological effects. To support the in vitro and in ovo experiments, we showed by computer simulations that plasma-induced oxidation of the phospholipid bilayer leads to a decrease of the free energy barrier for translocation of MEL in comparison with the non-oxidized bilayer, which also suggests a synergistic effect of MEL with plasma induced oxidation. Overall, our findings suggest that MEL in combination with PT-PBS can be a promising combinational therapy to circumvent the non-specific toxicity of MEL, which may help for clinical applicability in the future.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Times cited: 1
DOI: 10.3390/cancers11081109
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“Economic benefits of combining clean energy technologies : the case of solar photovoltaics and battery electric vehicles”. De Schepper E, Van Passel S, Lizin S, International Journal Of Energy Research 39, 1109 (2015). http://doi.org/10.1002/ER.3315
Abstract: The combined use of clean technologies can lead amongst other benefits to reduced environmental impacts, improved system efficiencies, better management of land scarcity, and diminishment of the effect of power variability of intermittent clean energy sources. Nonetheless, private investors facing budgetary constraints will only opt to invest in the combination of technologies if the latter is more profitable than the investment in a single technology. The aim of the paper is to provide a systematic model for decision makers that allows them to evaluate the profitability of any random combination of technologies under budgetary constraints, and to compare this profitability with that of the individual projects in isolation. This research goes beyond the state of art in the field of financial management and more specifically in the field of the rationing of capital amongst interdependent projects, by developing a method to calculate the payoff of interdependent projects undertaken together. Moreover, this paper develops a computational model from the investor's point of view, of which the purpose is threefold: First, the model allows to directly compare the economic payoff of individual complementary technologies with the economic payoff of their integrated combination, under budgetary constraints. Second, the model calculates economic synergies labeled benefits of combined technologies' (BOCT) when combining complementary technologies. Third, the model explains the rationalization behind the presence of BOCT. The model exemplifies an ex ante cost benefit analysis developed for business and non-governmental use. A four step methodology is proposed and illustrated by means of a case study of PV solar power and battery electric vehicles (BEVs) for a small Belgian enterprise. Results show that at low electricity prices (<Euro0.112/kWh) it is most profitable to invest in BEVs. When the price of electricity rises (>Euro0.134/kWh), investment in exclusively PV becomes most attractive. In all other cases, it is more profitable to invest in the combination of both technologies. Copyright (c) 2015 John Wiley & Sons, Ltd.
Keywords: A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
Impact Factor: 2.598
Times cited: 14
DOI: 10.1002/ER.3315
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“New anion-conducting solid solutions Bi1-xTex(O,F)2+\delta (x >, 0.5) and glassceramic material on their base”. Prituzhalov VA, Ardashnikova EI, Vinogradov AA, Dolgikh VA, Videau J-J, Fargin E, Abakumov AM, Tarakina NV, Van Tendeloo G, Journal of fluorine chemistry 132, 1110 (2011). http://doi.org/10.1016/j.jfluchem.2011.06.042
Abstract: The anion-excess fluorite-like solid solutions with general composition Bi1−xTex(O,F)2+δ (x > 0.5) have been synthesized by a solid state reaction of TeO2, BiF3 and Bi2O3 at 873 K with following quenching. The homogeneity areas and polymorphism of the I ↔ IV Bi1−xTex(O,F)2+δ phases were investigated. The crystal structure of the low temperature IV-Bi1−xTex(O,F)2+δ phase has been solved using electron diffraction and X-ray powder diffraction (a = 11.53051(9) Å, S.G. Ia-3, RI = 0.046, RP = 0.041). Glass formation area in the Bi2O3BiF3TeO2 (10% TiO2) system was investigated. IVBi1−xTex(O,F)2+δ phase starts to crystallize at short-time (0.53 h) annealing of oxyfluoride glasses at temperatures above Tg (600615 K). The ionic conductivity of the crystalline Bi1−xTex(O,F)2+δ phase and corresponding glass-ceramics was investigated. Activation energy of conductivity Ea = 0.41(2) eV for the IV-Bi1−xTex(O,F)2+δ crystalline samples and Ea = 0.73 eV for the glass-ceramic samples were obtained. Investigation of the oxyfluoride samples with a constant cation ratio demonstrates essential influence of excess fluorine anions on the ionic conductivity.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.101
Times cited: 2
DOI: 10.1016/j.jfluchem.2011.06.042
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“Review on TEM analysis of growth twins in nanocrystalline palladium thin films : toward better understanding of twin-related mechanisms in high stacking fault energy metals”. Idrissi H, Amin-Ahmadi B, Wang B, Schryvers D, Physica status solidi: B: basic research 251, 1111 (2014). http://doi.org/10.1002/pssb.201350161
Abstract: Various modes of transmission electron microscopy including aberration corrected imaging were used in order to unravel the fundamental mechanisms controlling the formation of growth twins and the evolution of twin boundaries under mechanical and hydrogen loading modes in nanocrystalline (nc) palladium thin films. The latter were produced by electron-beam evaporation and sputter deposition and subjected to uniaxial tensile deformation as well as hydriding/dehydriding cycles. The results show that the twins form by dissociation of grain boundaries. The coherency of Σ3{111} coherent twin boundaries considerably decreases with deformation due to dislocation/twin boundary interactions while Σ3{112} incoherent twin boundaries dissociate under hydrogen cycling into two-phase boundaries bounding a new and unstable 9R phase. The effect of these elementary mechanisms on the macroscopic behavior of the palladium films is discussed and compared to recent experimental and simulation works in the literature. The results provide insightful information to guide the production of well-controlled population of growth twins in high stacking fault energy nc metallic thin films. The results also indicate directions for further enhancement of the mechanical properties of palladium films as needed for instance in palladium-based membranes in hydrogen applications.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.674
Times cited: 7
DOI: 10.1002/pssb.201350161
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“Biocompatibility and corrosion behavior of the shape memory NiTi alloy in the physiological environments simulated with body fluids for medical applications”. Khalil-Allafi J, Amin-Ahmadi B, Zare M, Materials science and engineering: part C: biomimetic materials 30, 1112 (2010). http://doi.org/10.1016/j.msec.2010.06.007
Abstract: Due to unique properties of NiTi shape memory alloys such as high corrosion resistance, biocompatibility, super elasticity and shape memory behavior, NiTi shape memory alloys are suitable materials for medical applications. Although TiO2 passive layer in these alloys can prevent releasing of nickel to the environment, high nickel content and stability of passive layer in these alloys are very debatable subjects. In this study a NiTi shape memory alloy with nominal composition of 50.7 atom% Ni was investigated by corrosion tests. Electrochemical tests were performed in two physiological environments of Ringer solution and NaCl 0.9% solution. Results indicate that the breakdown potential of the NiTi alloy in NaCl 0.9% solution is higher than that in Ringer solution. The results of Scanning Electron Microscope (SEM) reveal that low pitting corrosion occurred in Ringer solution compared with NaCl solution at potentiostatic tests. The pH value of the solutions increases after the electrochemical tests. The existence of hydride products in the X-ray diffraction analysis confirms the decrease of the concentration of hydrogen ion in solutions. Topographical evaluations show that corrosion products are nearly same in all samples. The biocompatibility tests were performed by reaction of mouse fibroblast cells (L929). The growth and development of cells for different times were measured by numbering the cells or statistics investigations. The figures of cells for different times showed natural growth of cells. The different of the cell numbers between the test specimen and control specimen was negligible; therefore it may be concluded that the NiTi shape memory alloy is not toxic in the physiological environments simulated with body fluids.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.164
Times cited: 34
DOI: 10.1016/j.msec.2010.06.007
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“How to manipulate nanoparticles with an electron beam?”.Verbeeck J, Tian H, Van Tendeloo G, Advanced materials 25, 1114 (2013). http://doi.org/10.1002/adma.201204206
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 19.791
Times cited: 75
DOI: 10.1002/adma.201204206
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“Predicted Hotspot Residues Involved in Allosteric Signal Transmission in Pro-Apoptotic Peptide—Mcl1 Complexes”. Marimuthu P, Razzokov J, Singaravelu K, Bogaerts A, Biomolecules 10, 1114 (2020). http://doi.org/10.3390/biom10081114
Abstract: Mcl1 is a primary member of the Bcl–2 family—anti–apoptotic proteins (AAP)—that is overexpressed in several cancer pathologies. The apoptotic regulation is mediated through the binding of pro-apoptotic peptides (PAPs) (e.g., Bak and Bid) at the canonical hydrophobic binding groove (CBG) of Mcl1. Although all PAPs form amphipathic α-helices, their amino acid sequences vary to different degree. This sequence variation exhibits a central role in the binding partner selectivity towards different AAPs. Thus, constructing a novel peptide or small organic molecule with the ability to mimic the natural regulatory process of PAP is essential to inhibit various AAPs. Previously reported experimental binding free energies (BFEs) were utilized in the current investigation aimed to understand the mechanistic basis of different PAPs targeted to mMcl1. Molecular dynamics (MD) simulations used to estimate BFEs between mMcl1—PAP complexes using Molecular Mechanics-Generalized Born Solvent Accessible (MMGBSA) approach with multiple parameters. Predicted BFE values showed an excellent agreement with the experiment (R2 = 0.92). The van–der Waals (ΔGvdw) and electrostatic (ΔGele) energy terms found to be the main energy components that drive heterodimerization of mMcl1—PAP complexes. Finally, the dynamic network analysis predicted the allosteric signal transmission pathway involves more favorable energy contributing residues. In total, the results obtained from the current investigation may provide valuable insights for the synthesis of a novel peptide or small organic inhibitor targeting Mcl1.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
DOI: 10.3390/biom10081114
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“A new mixed-valence ferrite with a cubic structure, YBaFe4O7: spin-glass-like behavior”. Caignaert V, Abakumov AM, Pelloquin D, Pralong V, Maignan A, Van Tendeloo G, Raveau B, Chemistry of materials 21, 1116 (2009). http://doi.org/10.1021/cm803312f
Abstract: A new mixed-valence ferrite, YBaFe4O7, has been synthesized. Its unique cubic structure, with a = 8.9595(2) Å, is closely related to that of the hexagonal 114 oxides YBaCo4O7 and CaBaFe4O7. It consists of corner-sharing FeO4 tetrahedra, forming triangular and kagome layers parallel to (111)C. In fact, the YBaFe4O7 and CaBaFe4O7 structures can be described as two different ccc and chch close packings of [BaO3]∞ and [O4]∞ layers, respectively, whose tetrahedral cavities are occupied by Fe2+/Fe3+ cations. The local structure of YBaFe4O7 is characterized by a large amount of stacking faults originating from the presence of hexagonal layers in the ccc cubic close-packed YBaFe4O7 structure. In this way, they belong to the large family of spinels and hexagonal ferrites studied for their magnetic properties. Differently from all the ferrites and especially from CaBaFe4O7, which are ferrimagnetic, YBaFe4O7 is an insulating spin glass with Tg = 50 K.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 39
DOI: 10.1021/cm803312f
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“Synthesis and structural investigations on the new Sr1.32Mn0.83Cu0.17O3 compound”. Abakumov AM, Mironov AV, Govorov VA, Lobanov MV, Rozova MG, Antipov EV, Lebedev OI, Van Tendeloo G, Solid state sciences 5, 1117 (2003). http://doi.org/10.1016/S1293-2558(03)00141-9
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.811
Times cited: 8
DOI: 10.1016/S1293-2558(03)00141-9
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“Unit cell determination in CuZr martensite by EM and X-ray diffraction”. Schryvers D, Firstov GS, Seo JW, van Humbeeck J, Koval YN, Scripta materialia 36, 1119 (1997)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.747
Times cited: 76
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“Control of the interfacial wettability to synthesize highly dispersed PtPd nanocrystals for efficient oxygen reduction reaction”. Wei H, Hu Z-Y, Xiao Y-X, Tian G, Ying J, Van Tendeloo G, Janiak C, Yang X-Y, Su B-L, Chemistry: an Asian journal 13, 1119 (2018). http://doi.org/10.1002/ASIA.201800191
Abstract: Highly dispersed PtPd bimetallic nanocrystals with enhanced catalytic activity and stability were prepared by adjusting the interfacial wettability of the reaction solution on a commercial carbon support. This approach holds great promise for the development of high-performance and low-cost catalysts for practical applications.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.083
Times cited: 3
DOI: 10.1002/ASIA.201800191
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“Benchmarking the photocatalytic self-cleaning activity of industrial and experimental materials with ISO 27448:2009”. Peeters H, Lenaerts S, Verbruggen SW, Materials 16, 1119 (2023). http://doi.org/10.3390/MA16031119
Abstract: Various industrial surface materials are tested for their photocatalytic self-cleaning activity by performing the ISO 27448:2009 method. The samples are pre-activated by UV irradiation, fouled with oleic acid and irradiated by UV light. The degradation of oleic acid over time is monitored by taking water contact angle measurements using a contact angle goniometer. The foulant, oleic acid, is an organic acid that makes the surface more hydrophobic. The water contact angle will thus decrease over time as the photocatalytic material degrades the oleic acid. In this study, we argue that the use of this method is strongly limited to specific types of surface materials, i.e., only those that are hydrophilic and smooth in nature. For more hydrophobic materials, the difference in the water contact angles of a clean surface and a fouled surface is not measurable. Therefore, the photocatalytic self-cleaning activity cannot be established experimentally. Another type of material that cannot be tested by this standard are rough surfaces. For rough surfaces, the water contact angle cannot be measured accurately using a contact angle goniometer as prescribed by the standard. Because of these limitations, many potentially interesting industrial substrates cannot be evaluated. Smooth samples that were treated with an in-house developed hydrophilic titania thin film (PCT/EP2018/079983) showed a great photocatalytic self-cleaning performance according to the ISO standard. Apart from discussing the pros and cons of the current ISO standard, we also stress how to carefully interpret the results and suggest alternative testing solutions.
Keywords: A1 Journal article; Engineering sciences. Technology
Impact Factor: 3.4
DOI: 10.3390/MA16031119
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“Synthesis, cation ordering, and magnetic properties of the (Sb1-xPbx)2(Mn1-ySby)O4 solid solutions with the Sb2MnO4-type structure”. Abakumov AM, Rozova MG, Antipov EV, Hadermann J, Van Tendeloo G, Lobanov MV, Greenblatt M, Croft M, Tsiper EV, Llobet A, Lokshin KA, Zhao Y, Chemistry of materials 17, 1123 (2005). http://doi.org/10.1021/cm048791h
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 16
DOI: 10.1021/cm048791h
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“Potentiometric detection in UPLC as an easy alternative to determine cocaine in biological samples”. Daems D, van Nuijs ALN, Covaci A, Hamidi-Asl E, Van Camp G, Nagels LJ, Biomedical chromatography 29, 1124 (2015). http://doi.org/10.1002/BMC.3400
Abstract: The analytical methods which are often used for the determination of cocaine in complex biological matrices are a prescreening immunoassay and confirmation by chromatography combined with mass spectrometry. We suggest an ultra-high-pressure liquid chromatography combined with a potentiometric detector, as a fast and practical method to detect and quantify cocaine in biological samples. An adsorption/desorption model was used to investigate the usefulness of the potentiometric detector to determine cocaine in complex matrices. Detection limits of 6.3ngmL(-1) were obtained in plasma and urine, which is below the maximum residue limit (MRL) of 25ngmL(-1). A set of seven plasma samples and 10 urine samples were classified identically by both methods as exceeding the MRL or being inferior to it. The results obtained with the UPLC/potentiometric detection method were compared with the results obtained with the UPLC/MS method for samples spiked with varying cocaine concentrations. The intraclass correlation coefficient was 0.997 for serum (n =7) and 0.977 for urine (n =8). As liquid chromatography is an established technique, and as potentiometry is very simple and cost-effective in terms of equipment, we believe that this method is potentially easy, inexpensive, fast and reliable. Copyright (c) 2014 John Wiley & Sons, Ltd.
Keywords: A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre
DOI: 10.1002/BMC.3400
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“Quantitative trace element analysis of individual fly ash particles by means of X-ray microfluorescence”. Vincze L, Somogyi A, Osán J, Vekemans B, Török S, Janssens K, Adams F, Analytical chemistry 74, 1128 (2002). http://doi.org/10.1021/AC010789B
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 6.32
Times cited: 44
DOI: 10.1021/AC010789B
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“Analytical TEM investigations on concentration gradients surrounding Ni4Ti3 precipitates in Ni-Ti shape memory material”. Yang Z, Tirry W, Schryvers D, Scripta materialia 52, 1129 (2005). http://doi.org/10.1016/j.scriptamat.2005.02.013
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.747
Times cited: 49
DOI: 10.1016/j.scriptamat.2005.02.013
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“Advantages of combined mu-XRF and mu-XRD for phase characterization of Ti-B-C ceramics compared with conventional X-ray diffraction”. Jaroszewicz J, de Nolf W, Janssens K, Michalski A, Falkenberg G, Analytical and bioanalytical chemistry 391, 1129 (2008). http://doi.org/10.1007/S00216-008-2097-6
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 3.431
Times cited: 7
DOI: 10.1007/S00216-008-2097-6
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“P-N Junction Passivation in Kesterite Solar Cells by Use of Solution-Processed TiO2 Layer”. Ranjbar S, Hadipour A, Vermang B, Batuk M, Hadermann J, Garud S, Sahayaraj S, Meuris M, Brammertz G, da Cunha AF, Poortmans J, IEEE journal of photovoltaics 7, 1130 (2017). http://doi.org/10.1109/JPHOTOV.2017.2692208
Abstract: In this work, we used a solution-processed TiO2 layer between Cu2ZnSnSe4 and CdS buffer layer to reduce the recombination at the p–n junction. Introducing the TiO2 layer showed a positive impact on VOC but fill factor and efficiency decreased. Using a KCN treatment, we could create openings in the TiO2 layer, as confirmed by transmission electron microscopy measurements. Formation of these openings in the TiO2 layer led to the improvement of the short-circuit current, fill factor, and the efficiency of the modified solar cells.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 3.712
Times cited: 2
DOI: 10.1109/JPHOTOV.2017.2692208
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“Accurate measurements of atomic displacements in La0.9Sr0.1MnO3 thin films grown on a SrTiO3 substrate”. Geuens P, Lebedev OI, van Dyck D, Van Tendeloo G s.l., page 1133 (2000).
Keywords: H3 Book chapter; Electron microscopy for materials research (EMAT); Vision lab
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“Influence of vacancy defects on the thermal stability of silicene: a reactive molecular dynamics study”. Berdiyorov GR, Peeters FM, RSC advances 4, 1133 (2014). http://doi.org/10.1039/c3ra43487g
Abstract: The effect of vacancy defects on the structural properties and the thermal stability of free standing silicene – a buckled structure of hexagonally arranged silicon atoms – is studied using reactive molecular dynamics simulations. Pristine silicene is found to be stable up to 1500 K, above which the system transits to a three-dimensional amorphous configuration. Vacancy defects result in local structural changes in the system and considerably reduce the thermal stability of silicene: depending on the size of the vacancy defect, the critical temperature decreases by more than 30%. However, the system is still found to be stable well above room temperature within our simulation time of 500 ps. We found that the, stability of silicene can be increased by saturating the dangling bonds at the defect edges by foreign atoms (e.g., hydrogen).
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.108
Times cited: 62
DOI: 10.1039/c3ra43487g
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“Defective biphenylene as high-efficiency hydrogen evolution catalysts”. Luo Y, He Y, Ding Y, Zuo L, Zhong C, Ma Y, Sun M, Inorganic chemistry 63, 1136 (2023). http://doi.org/10.1021/ACS.INORGCHEM.3C03503
Abstract: Electrocatalysts play a pivotal role in advancing the application of water splitting for hydrogen production. This research unveils the potential of defective biphenylenes as high-efficiency catalysts for the hydrogen evolution reaction. Using first-principles simulations, we systematically investigated the structure, stability, and catalytic performance of defective biphenylenes. Our findings unveil that defect engineering significantly enhances the electrocatalytic activity for hydrogen evolution. Specifically, biphenylene with a double-vacancy defect exhibits an outstanding Gibbs free energy of -0.08 eV, surpassing that of Pt, accompanied by a remarkable exchange current density of -3.08 A cm(-2), also surpassing that of Pt. Furthermore, we find the preference for the Volmer-Heyrovsky mechanism in the hydrogen evolution reaction, with a low energy barrier of 0.80 eV. This research provides a promising avenue for developing novel metal-free electrocatalysts for water splitting with earth-abundant carbon elements, making a significant step toward sustainable hydrogen production.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 4.6
DOI: 10.1021/ACS.INORGCHEM.3C03503
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“Plasma processes and polymers third special issue on plasma and cancer”. Laroussi M, Bogaerts A, Barekzi N, Plasma processes and polymers 13, 1142 (2016). http://doi.org/10.1002/ppap.201600193
Keywords: Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 1
DOI: 10.1002/ppap.201600193
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“Crystallographic aspects related to the high pressure-high temperature phase transformation of boron nitride”. Nistor LC, Van Tendeloo G, Dincã, G, Philosophical magazine 85, 1145 (2005). http://doi.org/10.1080/14786430412331325058
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.505
Times cited: 13
DOI: 10.1080/14786430412331325058
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“TEM annular objective apertures fabricated by FIB”. Bals S, Radmilovic V, Kisielowski C, Microscopy and microanalysis 10, 1148 (2004). http://doi.org/10.1017/S1431927604881765
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.891
DOI: 10.1017/S1431927604881765
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“Mass and ionic composition of atmospheric fine particles over Belgium and their relation with gaseous air pollutants”. Bencs L, Ravindra K, de Hoog J, Rasoazanany EO, Deutsch F, Bleux N, Berghmans P, Roekens E, Krata A, Van Grieken R, Journal of environmental monitoring 10, 1148 (2008). http://doi.org/10.1039/B805157G
Abstract: Mass, major ionic components (MICs) of PM2.5, and related gaseous pollutants (SO2, NOx, NH3, HNO2, and HNO3) were monitored over six locations of different anthropogenic influence (industrial, urban, suburban, and rural) in Belgium. SO42-, NO3-, NH4+, and Na+ were the primary ions of PM2.5 with averages diurnal concentrations ranging from 0.44.5, 0.37.6, 0.94.9, and 0.41.2 µg m-3, respectively. MICs formed 39% of PM2.5 on an average, but it could reach up to 8098%. The SO2, NO, NO2, HNO2, and HNO3 levels showed high seasonal and site-specific fluctuations. The NH3 levels were similar over all the sites (26 µg m-3), indicating its relation to the evenly distributed animal husbandry activities. The sulfur and nitrogen oxidation ratios for PM2.5 point towards a low-to-moderate formation of secondary sulfate and nitrate aerosols over five cities/towns, but their fairly intensive formation over the rural Wingene. Cluster analysis revealed the association of three groups of compounds in PM2.5: (i) NH4NO3, KNO3; (ii) Na2SO4; and (iii) MgCl2, CaCl2, MgF2, CaF2, corresponding to anthropogenic, sea-salt, and mixed (sea-salt + anthropogenic) aerosols, respectively. The neutralization and cation-to-anion ratios indicate that MICs of PM2.5 appeared mostly as (NH4)2SO4 and NH4NO3 salts. Sea-salt input was maximal during winter reaching up to 12% of PM2.5. The overall average Cl-loss for sea-salt particles of PM2.5 at the six sites varied between 69 and 96% with an average of 87%. Principal component analysis revealed vehicular emission, coal/wood burning and animal farming as the dominating sources for the ionic components of PM2.5.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1039/B805157G
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“Theoretical investigation of CoSi2/Si1-xGex detectors: influence of a Si tunneling barrier on the electro-optical characteristics”. Chu DP, Peeters FM, Kolodinski S, Roca E, Journal of applied physics 79, 1151 (1996)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.183
Times cited: 3
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