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“Cationic clathrate of type-III Ge172-xPxTey (y\approx21,5, x\approx2y) : synthesis, crystal structure and thermoelectric properties”. Kirsanova MA, Mori T, Maruyama S, Abakumov AM, Van Tendeloo G, Olenev A, Shevelkov AV, Inorganic chemistry 52, 8272 (2013). http://doi.org/10.1021/ic401203r
Abstract: A first germanium-based cationic clathrate of type-III, Ge129.3P42.7Te21.53, was synthesized and structurally characterized (space group P42/mnm, a = 19.948(3) Å, c = 10.440(2) Å, Z = 1). In its crystal structure, germanium and phosphorus atoms form three types of polyhedral cages centered with Te atoms. The polyhedra share pentagonal and hexagonal faces to form a 3D framework. Despite the complexity of the crystal structure, the Ge129.3P42.7Te21.53 composition corresponds to the Zintl counting scheme with a good accuracy. Ge129.3P42.7Te21.53 demonstrates semiconducting/insulating behavior of electric resistivity, high positive Seebeck coefficient (500 μV K1 at 300 K), and low thermal conductivity (<0.92 W m1 K1) within the measured temperature range.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.857
Times cited: 3
DOI: 10.1021/ic401203r
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“Toward unlocking the Mn3+/Mn2+ redox pair in alluaudite-type Na2+2zMn2-z(SO4)3-x(SeO4)x cathodes for sodium-ion batteries”. Kirsanova MA, De Sloovere D, Karakulina OM, Hadermann J, Van Bael MK, Hardy A, Abakumov AM, Journal of solid state chemistry 277, 804 (2019). http://doi.org/10.1016/J.JSSC.2019.07.032
Abstract: In polyanion cathodes, the inductive effect alters the potential of a M(n+1)+/Mn+ redox couple (M – transition metal) according to the electronegativity of the X cation in the polyanion groups (XO4m+). To manipulate the operating potential, we synthesized a series of mixed sulfate-selenate alluaudites, with structure formulas Na2+2zMn2-z(SO4)(3-x)(SeO4)(x) and Na2.81Ni1.60(SO4)(1.43)(SeO4)(1.57). Their crystal structure was determined from powder X-ray diffraction data, revealing that the Mn-based alluaudites form solid solutions with the same crystal structure for x = 0.75; 1.125 and 1.5. Na2.81Ni1.60(SO4)(1.43)(SeO4)(1.57) is isostructural to the Mn-based alluaudites. Although the Na2+2zMn2-z(SO4)(3-x)(SeO4)(x) compound with the highest selenium content demonstrates a reversible discharge capacity of 60 mAh g(-1), only a small part of this electrochemical activity can be ascribed to the Mn3+/Mn2+ redox couple. The redox potential of the Mn3+/Mn2+ pair in Na2+2zMn2-z(SO4)(3-)x(SeO4)(x) decreases with increasing values of x, in agreement with the lower electronegativity of Se compared to that of S.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
DOI: 10.1016/J.JSSC.2019.07.032
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“Digitally reconstructing Van Gogh's Field with Irises near Arles. Part 2: Pigment concentration maps”. Kirchner E, van der Lans I, Ligterink F, Geldof M, Gaibor ANP, Hendriks E, Janssens K, Delaney J, Color research and application 43, 158 (2018). http://doi.org/10.1002/COL.22164
Abstract: Colors in many paintings of great art historical value have changed over time, due to the combined effects of natural ageing, accumulated surface grime, and materials added during later conservation treatments. The physical restoration of the colors in such paintings is not possible. This article describes one part of work done to digitally restore the colors of Van Gogh's painting Field with Irises near Arles, dating from May 1888. We have used multispectral reflectance data to estimate absorption K and backscattering S parameters of Kubelka-Munk 2-constant theory. This was done for all 13 pigments known to have been used by Van Gogh in this painting, and based on this the concentration maps for each of these pigments were calculated. We validated the calculated concentration maps in several ways. For some pigments, we were able to predict spots on the painting where the pigment is expected to occur in unmixed form based on visual examination. For several other pigments, the concentration maps could be shown to agree with XRF data. Finally, for some other pigments the concentration maps were supported by additional evidence from microscopic examinations, remarks in Van Gogh's letters and from early color reproductions. For the 1.7 million pixels for which multispectral data is available, the average color difference between the calculated and measured spectral reflectance curves is CIEDE2000 = 1.05. This further confirms that the Kubelka-Munk calculations are well suited to describe the variety of spectral reflectance on the painting.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 0.798
Times cited: 4
DOI: 10.1002/COL.22164
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“Determination of fluorine in uranium oxyfluoride particles as an indicator of particle age”. Kips R, Pidduck AJ, Houlton MR, Leenaers A, Mace JD, Marie O, Pointurier F, Stefaniak EA, Taylor PDP, van den Berghe S, van Espen P, Van Grieken R, Wellum R, Spectrochimica acta: part B : atomic spectroscopy 64, 199 (2009). http://doi.org/10.1016/J.SAB.2008.12.001
Abstract: As swipe samples from enrichment activities typically contain uranium particles with a detectable amount of fluorine, the question was raised whether the analysis of fluorine in particles could complement the information on the uranium isotope ratios. For this, uranium oxyfluoride particles were prepared from the controlled hydrolysis of uranium hexafluoride (UF6). The relative amount of fluorine was characterized by scanning electron microscopy combined with energy-dispersive X-ray spectrometry (SEM-EDX), as well as ion-microprobe secondary ion mass spectrometry (IM-SIMS). Of particular interest was the assessment of the reduction of the amount of fluorine over time, and after exposure to UV-light and high temperatures. Micro-Raman spectrometry (MRS) was applied to look for differences in molecular structure between these various sample types. Both SEM-EDX and IM-SIMS showed a general reduction of the fluorine-to-uranium ratio after 12 years of storage. The exposure to UV-light and high temperatures was found to have accelerated the loss of fluorine. A distinct peak at 865 cm− 1 Raman shift was detected for the majority of particles analyzed by MRS. For the particles that were heat-treated, the Raman spectra were similar to the spectrum of U3O8. Although often large variations were observed between particles from the same sample, the three particle measurement techniques (IM-SIMS, SEM-EDX and MRS) showed some consistent trends. They therefore appear promising in terms of the ability to place bounds on particle age, as well as shedding light on the complex processes involved in UO2F2 particle ageing.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3)
DOI: 10.1016/J.SAB.2008.12.001
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“Decoupling the shape parameter to assess gold nanorod uptake by mammalian cells”. Kinnear C, Rodriguez-Lorenzo L, Clift MJD, Goris B, Bals S, Rothen B, Fink AS, Nanoscale 8, 16416 (2016). http://doi.org/10.1039/C6NR03543D
Abstract: The impact of nanoparticles (NPs) upon biological systems can be fundamentally associated with their physicochemical parameters. A further often-stated tenet is the importance of NP shape on rates of endocytosis. However, given the convoluted parameters concerning the NP-cell interaction, it is experimentally challenging to attribute any findings to shape alone. Herein we demonstrate that shape, below a certain limit, which is specific to nanomedicine, is not important for the endocytosis of spherocylinders by either epithelial or macrophage cells in vitro. Through a systematic approach, we reshaped a single batch of gold nanorods into different aspect ratios resulting in near-spheres and studied their cytotoxicity, (pro-)inflammatory status, and endocytosis/exocytosis. It was found that on a length scale of ~10-90 nm and at aspect ratios less than 5, NP shape has little impact upon their entry into either macrophages or epithelial cells. Conversely, nanorods with an aspect ratio above 5 were preferentially endocytosed by epithelial cells, whereas there was a lack of shape dependent uptake following exposure to macrophages in vitro. These findings have implications both in the understanding of nanoparticle reshaping mechanisms, as well as in the future rational design of nanomaterials for biomedical applications.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 7.367
Times cited: 23
DOI: 10.1039/C6NR03543D
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“The high-temperature polymorphs of K3AlF6”. King G, Abakumov AM, Woodward PM, Llobet A, Tsirlin AA, Batuk D, Antipov EV, Inorganic chemistry 50, 7792 (2011). http://doi.org/10.1021/ic200956a
Abstract: The crystal structures of the three high-temperature polymorphs of K3AlF6 have been solved from neutron powder diffraction, synchrotron X-ray powder diffraction, and electron diffraction data. The β-phase (stable between 132 and 153 °C) and γ-phase (stable between 153 to 306 °C) can be described as unusually complex superstructures of the double-perovskite structure (K2KAlF6) which result from noncooperative tilting of the AlF6 octahedra. The β-phase is tetragonal, space group I4/m, with lattice parameters of a = 13.3862(5) Å and c = 8.5617(3) Å (at 143 °C) and Z = 10. In this phase, one-fifth of the AlF6 octahedra are rotated about the c-axis by 45° while the other four-fifths remain untilted. The large 45° rotations result in edge sharing between these AlF6 octahedra and the neighboring K-centered polyhedra, resulting in pentagonal bipyramidal coordination for four-fifths of the K+ ions that reside on the B-sites of the perovskite structure. The remaining one-fifth of the K+ ions on the B-sites retain octahedral coordination. The γ-phase is orthorhombic, space group Fddd, with lattice parameters of a = 36.1276(4) Å, b = 17.1133(2) Å, and c = 12.0562(1) Å (at 225 °C) and Z = 48. In the γ-phase, one-sixth of the AlF6 octahedra are randomly rotated about one of two directions by 45° while the other five-sixths remain essentially untilted. These rotations result in two-thirds of the K+ ions on the B-site obtaining 7-fold coordination while the other one-third remain in octahedral coordination. The δ-phase adopts the ideal cubic double-perovskite structure, space group Fmm, with a = 8.5943(1) Å at 400 °C. However, pair distribution function analysis shows that locally the δ-phase is quite different from its long-range average crystal structure. The AlF6 octahedra undergo large-amplitude rotations which are accompanied by off-center displacements of the K+ ions that occupy the 12-coordinate A-sites.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.857
Times cited: 19
DOI: 10.1021/ic200956a
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“Crystal structure and phase transitions in Sr3WO6”. King G, Abakumov AM, Hadermann J, Alekseeva AM, Rozova MG, Perkisas T, Woodward PM, Van Tendeloo G, Antipov EV, Inorganic chemistry 49, 6058 (2010). http://doi.org/10.1021/ic100598v
Abstract: The crystal structures of the beta and gamma polymorphs of Sr3WO6 and the gamma <->beta phase transition have been investigated using electron diffraction, synchrotron X-ray powder diffraction, and neutron powder diffraction. The gamma-Sr3WO6 polymorph is stable above T-c approximate to 470 K and adopts a monoclinically distorted double perovskite A(2)BB'O-6= Sr2SrWO6 structure (space group Cc, a = 10.2363(1)angstrom, b= 17.9007(1)angstrom, c= 11.9717(1)angstrom, beta=125.585(1)degrees at T= 1373 K, Z=12, corresponding to a = a(p)+1/2b(p) – 1/2c(p), b =3/2b(p) + 3/2c(p), c =-b(p) + c(p), a(p),b(p), c(p), lattice vectors of the parent Fm (3) over barm double perovskite structure). Upon cooling it undergoes a continuous phase transition into the triclinically distorted beta-Sr3WO6 phase (space group Cl, a = 10.09497(3)angstrom, b = 17.64748(5)angstrom, c = 11.81400(3)angstrom, alpha = 89.5470(2)degrees, beta= 125.4529(2)degrees, gamma =90.2889(2)degrees at T= 300 K). Both crystal structures of Sr3WO6 belong to a family of double perovskites with broken corner sharing connectivity of the octahedral framework. A remarkable feature of the gamma-Sr3WO6 structure is a non-cooperative rotation of the WO6 octahedra. One third of the WO6 octahedra are rotated by 45 about either the bp or the cp axis of the parent double perovskite structure. As a result, the WO6 octahedra do not share corners but instead share edges with the coordination polyhedra of the Sr cations at the B positions increasing their coordination number from 6 to 7 or 8. The crystal structure of the beta-phase is very close to the structure of the gamma-phase; decreasing symmetry upon the gamma ->beta transformation occurs because of unequal octahedral rotation angles about the bp and cp axes and increasing distortions of the WO6 octahedra.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.857
Times cited: 18
DOI: 10.1021/ic100598v
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“Fractal dimensional classification of aerosol particles by computer-controlled scanning electron microscopy”. Kindratenko VV, van Espen PJM, Treiger BA, Van Grieken RE, Environmental science and technology 28, 2197 (1994). http://doi.org/10.1021/ES00061A031
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3)
DOI: 10.1021/ES00061A031
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“A Facet-Specific Quantum Dot Passivation Strategy for Colloid Management and Efficient Infrared Photovoltaics”. Kim Y, Che F, Jo JW, Choi J, de Arquer FPG, Voznyy O, Sun B, Kim J, Choi M-J, Quintero-Bermudez R, Fan F, Tan CS, Bladt E, Walters G, Proppe AH, Zou C, Yuan H, Bals S, Hofkens J, Roeffaers MBJ, Hoogland S, Sargent EH, Advanced materials 31, 1805580 (2019). http://doi.org/10.1002/ADMA.201805580
Abstract: Colloidal nanocrystals combine size- and facet-dependent properties with solution processing. They offer thus a compelling suite of materials for technological applications. Their size- and facet-tunable features are studied in synthesis; however, to exploit their features in optoelectronic devices, it will be essential to translate control over size and facets from the colloid all the way to the film. Larger-diameter colloidal quantum dots (CQDs) offer the attractive possibility of harvesting infrared (IR) solar energy beyond absorption of silicon photovoltaics. These CQDs exhibit facets (nonpolar (100)) undisplayed in small-diameter CQDs; and the materials chemistry of smaller nanocrystals fails consequently to translate to materials for the short-wavelength IR regime. A new colloidal management strategy targeting the passivation of both (100) and (111) facets is demonstrated using distinct choices of cations and anions. The approach leads to narrow-bandgap CQDs with impressive colloidal stability and photoluminescence quantum yield. Photophysical studies confirm a reduction both in Stokes shift (approximate to 47 meV) and Urbach tail (approximate to 29 meV). This approach provides a approximate to 50% increase in the power conversion efficiency of IR photovoltaics compared to controls, and a approximate to 70% external quantum efficiency at their excitonic peak.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 19.791
Times cited: 74
DOI: 10.1002/ADMA.201805580
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“New method for selective Cr recovery from stainless steel slag by NaOCl assisted alkaline leaching and consecutive BaCrO4 precipitation”. Kim E, Spooren J, Broos K, Nielsen P, Horckmans L, Vrancken KC, Quaghebeur M, Chemical engineering journal 295, 542 (2016). http://doi.org/10.1016/J.CEJ.2016.03.073
Abstract: A new hydrometallurgical method was investigated for selective leaching of chromium from stainless steel slag (SS slag) consisting of temperature controlled extraction with NaOH in the presence of NaOCl, followed by water leaching. After parameter optimization of the NaOCl-NaOH extraction step, a selective Cr leaching of 68% was reached, while dissolution of matrix materials was low (Al 0.3%, Ca 2.0%, Si 0.4%). The optimum conditions for the investigated system are: 105 degrees C, 6 h, SS slag particle size <63 mu m, mass ratio of NaOH to SS slag 0.13, and 3.3 mmol NaOCl to 1 g SS slag. The described oxidative alkaline leaching process by hypochlorite enables selective recovery of Cr at a significantly lower temperature and required amount of alkaline agent than molten salt or alkaline roasting processes. BaCrO4 was precipitated to purify and concentrate Cr from the leachate in which also minor amounts of Mn and V were present. This method allowed for a 99.9% Cr recovery rate. The obtained leaching residue shows no alterations of the SS slag's mineralogy with respect to untreated material. Therefore, a known carbonation treatment of the slag can be applied to prepare novel construction materials with a lowered Cr content. (C) 2016 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.CEJ.2016.03.073
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“Valorization of stainless steel slag by selective chromium recovery and subsequent carbonation of the matrix material”. Kim E, Spooren J, Broos K, Nielsen P, Horckmans L, Geurts R, Vrancken KC, Quaghebeur M, Journal of cleaner production 117, 221 (2016). http://doi.org/10.1016/J.JCLEPRO.2016.01.032
Abstract: This study focuses on the recycling of stainless steel (SS) slags containing about 1.2 wt% of chromium (Cr). The selective recovery of Cr from SS slag by a hydrometallurgical method (alkaline pressure leaching) was investigated. Leaching experiments were carried out based on 2(4-1) factorial design of experiment (DOE) with the following parameters: NaOH concentration, temperature, leaching time, and mechanical activation (MA). Results show that temperature and MA are the most influencing factors for an enhanced Cr leaching. The maximum Cr leaching was 46% at 1 M NaOH, 240 degrees C, 6 h, MA 30 min, while the matrix material was dissolved only to a limited extent (Al 2.88%, Si 0.12%, Ca 0.05%). After Cr leaching followed by alkali washing, a carbonation treatment is proposed to stabilize the remaining Cr in the matrix material and make the subsequent recycling of the matrix material as a construction material possible. (C) 2016 Elsevier Ltd. All rights reserved.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.JCLEPRO.2016.01.032
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“Selective recovery of Cr from stainless steel slag by alkaline roasting followed by water leaching”. Kim E, Spooren J, Broos K, Horckmans L, Quaghebeur M, Vrancken KC, Hydrometallurgy 158, 139 (2015). http://doi.org/10.1016/J.HYDROMET.2015.10.024
Abstract: Selective chromium (Cr) leaching from stainless steel slag (SS slag) by alkali roasting followed by water leaching was investigated. The efficiency of the alkali roasting process for Cr leaching was increased by optimizing the mass ratio of alkaline agents (NaOH, and NaOH-NaNO3) to the slag, roasting temperature and time. At the optimum condition (0.67 mass ratio of NaOH to SS slag, 400 degrees C, 2 h) of NaOH roasting, chromium leaching was around 83%, while the matrix material was dissolved only to a limited extent (Si 8.0%). Mechanical activation of the SS slag prior to roasting reduced the optimum NaOH to SS slag mass ratio to 0.4. The addition of NaNO3 as an oxidant to the NaOH salt increased Cr leaching to 89% after roasting at 400 degrees C for 2 h. The remaining Cr phases in the residue were almost exclusively FeCr alloys. Further chromium dissolution from these alloys is prevented by a passivation layer of Fe oxides as shown by SEM/EDS images. Based on these results, a SS slag recycling process is suggested in which roasting-water leaching followed by water washing to remove Cr yields a residue which has potential for application as a construction material. (C) 2015 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.HYDROMET.2015.10.024
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“Process development for hydrometallurgical recovery of valuable metals from sulfide-rich residue generated in a secondary lead smelter”. Kim E, Roosen J, Horckmans L, Spooren J, Broos K, Binnemans K, Vrancken KCM, Quaghebeur M, Hydrometallurgy 169, 589 (2017). http://doi.org/10.1016/J.HYDROMET.2017.04.002
Abstract: Two routes were investigated to selectively recover lead and minor metals (Cu, Ni, Zn) from a sulfide-rich lead smelter residue, matte. The first route comprises a two-step leaching process that combines Fe(III)-HNO3 leaching with roasting, followed by water leaching. In the first step, the efficiency of Pb leaching was 90% at the optimum condition (L/S ratio 8, 0.5 mol.L-1 HNO3, 0.15 mol.L-1 Fe(III), 25 degrees C). In the second step, roasting at 600 degrees C followed by water leaching at 50 degrees C selectively leached Ni, Cu, and Zn while fully converting iron sulfides to oxides. One-step oxidative pressure leaching in HNO3 was investigated as an alternative to simultaneously leach Pb, Cu, Ni and Zn. At the optimal conditions (130 degrees C, 60 min, 0.3 mol.L-1 HNO3, 0.07 mol.L-1 Fe(III), L/S ratio 20), Pb, Cu, Zn and Ni leaching were 92, 60, 70 and 66%, respectively, while Fe leaching remained low (2%). The leachates obtained from both leaching routes were treated by ion-exchange adsorption with diethylenetriaminepentaacetic acid (DTPA) functionalized chitosan-silica hybrid materials to investigate the selective recovery of Cu, Zn and Ni. The adsorption order appeared to be in the same order as the corresponding stability constants for complexes between the respective metal ions and free DTPA: Ca(II) < Zn(II) < Pb (II) approximate to Ni(II) < Cu(II). This allows not only to selectively recover Cu, Zn and Ni from the leachates, but also to mutually separate them by using the functionalized resin as a stationary phase in column chromatography. To avoid adsorbent contamination, Fe(III) and Pb(II) may be removed from the leachates in a pre-treatment step. Based on these results, the investigated methods can be combined as process steps of two possible routes for the selective recovery of valuable metals from the studied secondary lead smelting residue. The two-step leaching process seems to be superior since a more concentrated solution of Cu, Ni, and Zn is produced in the 2nd leaching step with low capital cost.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.HYDROMET.2017.04.002
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“Selective leaching of Pb, Cu, Ni and Zn from secondary lead smelting residues”. Kim E, Horckmans L, Spooren J, Vrancken KC, Quaghebeur M, Broos K, Hydrometallurgy 169, 372 (2017). http://doi.org/10.1016/J.HYDROMET.2017.02.027
Abstract: Several HNO3-based leaching approaches were tested and optimized to selectively recover Pb and other minor metals (Cu, Ni, Zn) from secondary lead smelter residues (i.e., slag and matte). Firstly, the leaching behaviors of Pb and the matrix element Fe were studied at atmospheric pressure in the temperature range 25-70 degrees C. These elements were present in both materials studied as sulfide and oxide phases. For the sulfur-rich matte residue, the Pb leaching increased from 63% to 69% upon increasing the HNO3 concentration from 0.2 M to 0.5 M. However, by adding Fe(III) as an oxidation agent, Pb leaching from the matte amounted to 90% at 25 degrees C. At a higher temperature, Pb leaching was reduced due to PbSO4 precipitation. In this process, Cu, Zn and Ni leaching was insignificant. For the slag residue, HNO3 could not leach Pb (0.03% Pb leached), while Fe leaching was 19.8% due to a galvanic effect. However, Pb leaching of the slag was 82% in the presence of additional Fe(III). Secondly, to enhance leaching of the other base metals (Cu, Zn and Ni) from the matte, roasting followed by water leaching and (microwave assisted or autoclave) pressurized leaching in 0.5 M HNO3 were applied. During roasting, the FeS phase converted to Fe2O3 above 500 degrees C, and PbS and Pb phases were transformed into insoluble PbSO4 above 400 degrees C. Cu, Ni and Zn leaching was drastically enhanced by a roasting step at 600 degrees C followed by leaching with 0.5 M HNO3 at 50 degrees C, or by pressurized HNO3 leaching above 130 degrees C, whereby Pb leaching almost ceased due to PbSO4 precipitation. During the roasting above 600 degrees C, or microwave assisted extraction (MAE) at 160 degrees C for 15 min, FeS was completely converted to iron oxides that can be used as raw material for pig iron production. Based on the results, the methods investigated can be combined as process steps of two possible routes for the selective recovery of valuable metals and the production of a clean source of Fe oxides from the secondary lead smelting residues studied. (C) 2017 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.HYDROMET.2017.02.027
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“Recycling of a secondary lead smelting matte by selective citrate leaching of valuable metals and simultaneous recovery of hematite as a secondary resource”. Kim E, Horckmans L, Spooren J, Broos K, Vrancken KCM, Quaghebeur M, Hydrometallurgy 169, 290 (2017). http://doi.org/10.1016/J.HYDROMET.2017.02.007
Abstract: Anew recycling process, according to the zero-waste concept, was investigated for an iron rich waste stream, more specifically a secondary lead smelting matte. The process consists of a selective citrate leaching of Pb, Cu, Ni and Zn in combination with a roasting step, leading to a simultaneous recovery of hematite as a secondary iron resource. The parameters, such as leaching time, leaching temperature, H2O2 concentration and roasting temperature, were experimentally optimized. The maximum Pb leaching efficiency was 93% and the leachability of Cu (33%) and Zn (11%) increased slightly in the presence of 0.5 M H2O2 in 1 M citrate at 25 degrees C and pH 5.5. Importantly, almost no Fe was leached (< 0.6%) from the iron rich matrix material at this condition allowing for a maximal recovery of hematite as a secondary resource after further treatment (i.e. roasting or sulfur removal). The leachability of Pb, Cu, Ni and Zn was strongly affected by the roasting temperature. Maximum leaching efficiency in 1 M citrate (25 degrees C, L/S ratio 10, pH 6.5) was 93% for Pb, 80% for Cu and 60% for Zn at a roasting temperature of 600 degrees C, while for Ni the maximum leaching efficiency of 53% was reached after roasting at 650 degrees C. Furthermore, when oxidative roasting was applied, the leaching residue consists dominantly of hematite (Fe2O3) with minor quantities of PbSO4, which can be used as pig iron ore (Fe > 60 wt%). (C) 2017 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.HYDROMET.2017.02.007
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“A scanning Hall probe microscope for high resolution magnetic imaging down to 300 mK”. Khotkevych VV, Milošević, MV, Bending SJ, The review of scientific instruments 79, 123708 (2008). http://doi.org/10.1063/1.3046285
Abstract: We present the design, construction, and performance of a low-temperature scanning Hall probe microscope with submicron lateral resolution and a large scanning range. The detachable microscope head is mounted on the cold flange of a commercial 3He-refrigerator (Oxford Instruments, Heliox VT-50) and operates between room temperature and 300 mK. It is fitted with a three-axis slip-stick nanopositioner that enables precise in situ adjustment of the probe location within a 6×6×7 mm3 space. The local magnetic induction at the sample surface is mapped with an easily changeable microfabricated Hall probe [typically GsAs/AlGaAs or AlGaAs/InGaAs/GaAs Hall sensors with integrated scanning tunnel microscopy (STM) tunneling tips] and can achieve minimum detectable fields 10 mG/Hz1/2. The Hall probe is brought into very close proximity to the sample surface by sensing and controlling tunnel currents at the integrated STM tip. The instrument is capable of simultaneous tunneling and Hall signal acquisition in surface-tracking mode. We illustrate the potential of the system with images of superconducting vortices at the surface of a Nb thin film down to 372 mK, and also of labyrinth magnetic-domain patterns of an yttrium iron garnet film captured at room temperature.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.515
Times cited: 14
DOI: 10.1063/1.3046285
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“How do plasma-generated OH radicals react with biofilm components? Insights from atomic scale simulations”. Khosravian N, Bogaerts A, Huygh S, Yusupov M, Neyts EC, Biointerphases 10, 029501 (2015). http://doi.org/10.1116/1.4904339
Abstract: The application of nonthermal atmospheric pressure plasma is emerging as an alternative and efficient technique for the inactivation of bacterial biofilms. In this study, reactive molecular dynamics simulations were used to examine the reaction mechanisms of hydroxyl radicals, as key reactive oxygen plasma species in biological systems, with several organic molecules (i.e., alkane, alcohol, carboxylic acid, and amine), as prototypical components of biomolecules in the biofilm. Our results demonstrate that organic molecules containing hydroxyl and carboxyl groups may act as trapping agents for the OH radicals. Moreover, the impact of OH radicals on N-acetyl-glucosamine, as constituent component of staphylococcus epidermidis biofilms, was investigated. The results show how impacts of OH radicals lead to hydrogen abstraction and subsequent molecular damage. This study thus provides new data on the reaction mechanisms of plasma species, and particularly the OH radicals, with fundamental components of bacterial biofilms.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.603
Times cited: 10
DOI: 10.1116/1.4904339
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“Peculiar half-metallic state in zigzag nanoribbons of MoS2 : spin filtering”. Khoeini F, Shakouri, Peeters FM, Physical review B 94, 125412 (2016). http://doi.org/10.1103/PHYSREVB.94.125412
Abstract: Layered structures of molybdenum disulfide (MoS2) belong to a new class of two-dimensional (2D) semiconductor materials in which monolayers exhibit a direct band gap in their electronic spectrum. This band gap has recently been shown to vanish due to the presence of metallic edge modes when MoS2 monolayers are terminated by zigzag edges on both sides. Here, we demonstrate that a zigzag nanoribbon of MoS2, when exposed to an external exchange field in combination with a transverse electric field, has the potential to exhibit a peculiar half-metallic nature and thereby allows electrons of only one spin direction to move. The peculiarity of such spin-selective conductors originates from a spin switch near the gap-closing region, so the allowed spin orientation can be controlled by means of an external gate voltage. It is shown that the induced half-metallic phase is resistant to random fluctuations of the exchange field as well as the presence of edge vacancies.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 38
DOI: 10.1103/PHYSREVB.94.125412
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“The path towards efficient wide band gap thin-film kesterite solar cells with transparent back contact for viable tandem application”. Khelifi S, Brammertz G, Choubrac L, Batuk M, Yang S, Meuris M, Barreau N, Hadermann J, Vrielinck H, Poelman D, Neyts K, Vermang B, Lauwaert J, Solar Energy Materials And Solar Cells 219, 110824 (2021). http://doi.org/10.1016/j.solmat.2020.110824
Abstract: Wide band gap thin-film kesterite solar cell based on non-toxic and earth-abundant materials might be a suitable candidate as a top cell for tandem configuration in combination with crystalline silicon as a bottom solar cell. For this purpose and based on parameters we have extracted from electrical and optical characterization techniques of Cu2ZnGeSe4 absorbers and solar cells, a model has been developed to describe the kesterite top cell efficiency limitations and to investigate the different possible configurations with transparent back contact for fourterminal tandem solar cell application. Furthermore, we have studied the tandem solar cell performance in view of the band gap and the transparency of the kesterite top cell and back contact engineering. Our detailed analysis shows that a kesterite top cell with efficiency > 14%, a band gap in the range of 1.5-1.7 eV and transparency above 80% at the sub-band gaps photons energies are required to achieve a tandem cell with higher efficiency than with a single silicon solar cell.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 4.784
DOI: 10.1016/j.solmat.2020.110824
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“Electronic structures of iMAX phases and their two-dimensional derivatives: A family of piezoelectric materials”. Khazaei M, Wang V, Sevik C, Ranjbar A, Arai M, Yunoki S, Physical review materials 2, 074002 (2018). http://doi.org/10.1103/PHYSREVMATERIALS.2.074002
Abstract: Recently, a group of MAX phases, (Mo2/3Y1/3)(2)AlC, (Mo2/3Sc1/3)(2)AlC, (W2/3Sc1/3)(2)AlC,(W2/3Y1/3)(2)AlC, and (V-2/3 Zr-1/3)(2)AlC, with in-plane ordered double transition metals, named iMAX phases, have been synthesized. Experimentally, some of these MAX phases can be chemically exfoliated into two-dimensional (2D) single- or multilayered transition metal carbides, so-called MXenes. Accordingly, the 2D nanostructures derived from iMAX phases are named iMXenes. Here we investigate the structural stabilities and electronic structures of the experimentally discovered iMAX phases and their possible iMXene derivatives. We show that the iMAX phases and their pristine, F, or OH-terminated iMXenes are metallic. However, upon 0 termination, (Mo2/3Y1/3)(2)C, (Mo2/3Sc1/3)(2)C, (W2/3Y1/3)(2)C, and (W2/3Sc1/3)(2)C iMXenes turn into semiconductors. Owing to the absence of centrosymmetry, the semiconducting iMXenes may find applications in piezoelectricity. Our calculations reveal that the semiconducting iMXenes possess giant piezoelectric coefficients as large as 45 x 10(-)(10) C/m.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
DOI: 10.1103/PHYSREVMATERIALS.2.074002
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“Effect of neutron irradiation on the characteristics of laser-produced plasma”. Khaydarov RT, Beisinbaeva HB, Sabitov NM, Terentev VB, Berdiyorov GR, Nuclear fusion 50, 025024 (2010). http://doi.org/10.1088/0029-5515/50/2/025024
Abstract: Using the mass-spectrometric method we studied the formation of multi-charged plasma ions during the interaction of laser radiation with solid targets irradiated by neutron beams. We found that structural defects, caused by the neutron irradiation, influence not only the efficiency of the process of material evaporation and emission of plasma, but also the ionization and recombination processes taking place at the initial stage of plasma formation and expansion. We also show the effect of the dose of neutron irradiation on the threshold of plasma formation from the surface of the target.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.307
Times cited: 3
DOI: 10.1088/0029-5515/50/2/025024
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“Conditions defining the mechanisms of the formation of light gas ions in multicomponent laser-produced plasmas”. Khaydarov RT, Beisinbaeva HB, Sabitov MM, Kalal M, Berdiyorov GR, Nuclear fusion 50, 105007 (2010). http://doi.org/10.1088/0029-5515/50/10/105007
Abstract: Using the mass-spectrometric method we study the charge, energy and spatial characteristics of ions in multicomponent plasma, generated under the action of Nd : YAG laser radiation on the surface of solid targets. We focus on the effect of the entry form of light gas atoms on the parameters of ions in such laser-produced plasmas. We found that the presence of light gas atoms considerably affects the parameters (e.g. the intensity and the charge multiplicity) of the heavier ions.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.307
Times cited: 1
DOI: 10.1088/0029-5515/50/10/105007
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“Effect of light gas atom inclusions on the characteristics of laser-produced plasma ions”. Khaydarov RT, Beisinbaeva HB, Sabitov MM, Kalal M, Berdiyorov GR, Nuclear fusion 51, 103041 (2011). http://doi.org/10.1088/0029-5515/51/10/103041
Abstract: Using the mass-spectrometric method we studied the effect of light gas inclusions on the formation process of multi-component laser-induced plasma ions. Masscharge characteristics, as well as energy and spatial distribution of the plasma ions are analysed. We found that both the energy and maximal charge of heavy component ions decrease due to the presence of gas atoms in the solid target surface layer.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.307
Times cited: 1
DOI: 10.1088/0029-5515/51/10/103041
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“A new structure type of the ternary sulfide Eu1.3Nb1.9S5”. Khasanova NR, Van Tendeloo G, Lebedev OI, Amelinckx S, Grippa AY, Abakumov AM, Istomin SY, D'yachenko OG, Antipov EV, Journal of solid state chemistry 164, 345 (2002). http://doi.org/10.1006/jssc.2001.9501
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 2
DOI: 10.1006/jssc.2001.9501
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“Synthesis, structure and properties of layered bismuthates: (Ba,K)3Bi2O7 and (Ba,K)2BiO4”. Khasanova NR, Kovba ML, Putilin SN, Antipov EV, Lebedev OI, Van Tendeloo G, Solid state communications 122, 189 (2002). http://doi.org/10.1016/S0038-1098(02)00096-0
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.554
Times cited: 3
DOI: 10.1016/S0038-1098(02)00096-0
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“Photoelectrochemical behavior of phthalocyanine-sensitized TiO₂, in the presence of electron-shuttling mediators”. Khan SU, Trashin S, Beltran V, Korostei YS, Pelmus M, Gorun SM, Dubinina T V, Verbruggen SW, De Wael K, Analytical chemistry 94, 12723 (2022). http://doi.org/10.1021/ACS.ANALCHEM.2C02210
Abstract: Dye-sensitized TiO(2 )has found many applications for dye sensitized solar cells (DSSC), solar-to-chemical energy conversion, water/air purification systems, and (electro)chemical sensors. We report an electrochemical system for testing dye-sensitized materials that can be utilized in photoelectrochemical (PEC) sensors and energy conversion. Unlike related systems, the reported system does not require a direct electron transfer from semiconductors to electrodes. Rather, it relies on electron shuttling by redox mediators. A range of model photocatalytic materials were prepared using three different TiO2 materials (P25, P90, and PC500) and three sterically hindered phthalocyanines (Pcs) with electron-rich tert-butyl substituents (t-Bu4PcZn, t-Bu4PcAlCl, and t-Bu4PcH2). The materials were compared with previously developed TiO(2 )modified by electron-deficient, also sterically hindered fluorinated phthalocyanine F64PcZn, a singlet oxygen (O-1(2)) producer, as well as its metal-free derivative, F64PcH2. The PEC activity depended on the redox mediator, as well as the type of TiO2 and Pc. By comparing the responses of one-electron shuttles, such as K4Fe(CN)(4), and O-1(2)-reactive electron shuttles, such as phenol, it is possible to reveal the action mechanism of the supported photosensitizers, while the overall activity can be assessed using hydroquinone. t-Bu4PcAlCl showed significantly lower blank responses and higher specific responses toward chlorophenols compared to t-Bu4PcZn due to the electron-withdrawing effect of the Al3+ metal center. The combination of reactivity insights and the need for only microgram amounts of sensing materials renders the reported system advantageous for practical applications.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Impact Factor: 7.4
DOI: 10.1021/ACS.ANALCHEM.2C02210
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“Coupling of phthalocyanines with plasmonic gold nanoparticles by click chemistry for an enhanced singlet oxygen based photoelectrochemical sensing”. Khan SU, Matshitse R, Borah R, Nemakal M, Moiseeva EO, Dubinina TV, Nyokong T, Verbruggen SW, De Wael K, ChemElectroChem , 1 (2024). http://doi.org/10.1002/CELC.202300677
Abstract: Coupling photosensitizers (PSs) with plasmonic nanoparticles increases the photocatalytic activity of PSs as the localized surface plasmon resonance (LSPR) of plasmonic nanoparticles leads to extreme concentration of light in their vicinity known as the near-field enhancement effect. To realize this in a colloidal phase, efficient conjugation of the PS molecules with the plasmonic nanoparticle surface is critical. In this work, we demonstrate the coupling of phthalocyanine (Pc) molecules with gold nanoparticles (AuNPs) in the colloidal phase via click chemistry. This conjugated Pc-AuNPs colloidal system is shown to enhance the photocatalytic singlet oxygen (1O2) production over non-conjugated Pcs and hence improve the photoelectrochemical detection of phenols. The plasmonic enhancement of the 1O2 generation by Pcs was clearly elucidated by complementary experimental and computational classical electromagnetic models. The dependence of plasmonic enhancement on the spectral position of the excitation laser wavelength and the absorbance of the Pc molecules with respect to the wavelength specific near-field enhancement is clearly demonstrated. A high similar to 8 times enhancement is obtained with green laser (532 nm) at the LSPR due to the maximum near-field enhancement at the resonance wavelength. Zinc phthalocyanine is covalently linked to plasmonic AuNPs via click chemistry to investigate the synergistic effect that boosts the overall activity toward the detection of HQ under visible light illumination. The 1O2 quantum yield of ZnPc improved significantly after conjugating with AuNPs, resulting in enhanced photoelectrochemical activity. image
Keywords: A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab); Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS)
Impact Factor: 4
DOI: 10.1002/CELC.202300677
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“Comparative study of electron temperature and excitation temperature in a magnetic pole enhanced-inductively coupled argon plasma”. Khan AW, Jan F, Saeed A, Zaka-ul-Islam M, Abrar M, Khattak NAD, Zakaullah M, Current applied physics 13, 1241 (2013). http://doi.org/10.1016/j.cap.2013.03.016
Abstract: Magnetic Pole Enhanced-Inductively Coupled Plasmas (MaPE-ICPs) in analogy to the conventional ICPs exhibit two modes of operation, depending on the power coupling mechanism, i.e., a low power mode with dominant capacitive coupling (E-mode) and a high power mode with dominant inductive coupling (H-mode). A comparative study of the electron temperature measured by a Langmuir probe (T-e(LP)) and the electron excitation temperature (T-exc(OES)) determined by Optical Emission Spectroscopy (OES) is reported in the two distinct modes of a MaPE-ICP operated in argon. The dependence of T-e(LP), T-exc(OES) and their ratio (T-e(LP)/T-exc(OES)) on applied power (5-50 W) and gas pressure (15-60 mTorr) is explored, and the validity of T-exc(OES) as an alternative diagnostic to T-e(LP) is tested in the two modes of MaPE-ICP. The OES based non-invasive measurement of the plasma parameters such as electron temperature is very useful for plasma processing applications in which probe measurements are limited. (C) 2013 Elsevier B. V. All rights reserved.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.971
Times cited: 13
DOI: 10.1016/j.cap.2013.03.016
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“Atomic level mechanisms of graphene healing by methane-based plasma radicals”. Khalilov U, Yusupov M, Eshonqulov Gb, Neyts Ec, Berdiyorov Gr, FlatChem 39, 100506 (2023). http://doi.org/10.1016/j.flatc.2023.100506
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 6.2
DOI: 10.1016/j.flatc.2023.100506
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“Selective Plasma Oxidation of Ultrasmall Si Nanowires”. Khalilov U, Yusupov M, Bogaerts A, Neyts EC, The journal of physical chemistry: C : nanomaterials and interfaces 120, 472 (2016). http://doi.org/10.1021/acs.jpcc.5b11027
Abstract: Device performance of Si|SiOx core-shell based nanowires critically depends on the exact control over the oxide thickness. Low-temperature plasma oxidation is a highly promising alternative to thermal oxidation allowing for improved control over the oxidation process, in particular for ultrasmall Si nanowires. We here elucidate the room temperature plasma oxidation mechanisms of ultrasmall Si nanowires using hybrid molecular dynamics / force-bias Monte Carlo simulations. We demonstrate how the oxidation and concurrent water formation mechanisms are a function of the oxidizing plasma species and we demonstrate how the resulting core-shell oxide thickness can be controlled through these species. A new mechanism of water formation is discussed in detail. The results provide a detailed atomic level explanation of the oxidation process of highly curved Si surfaces. These results point out a route toward plasma-based formation of ultrathin core-shell Si|SiOx nanowires at room temperature.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.536
Times cited: 3
DOI: 10.1021/acs.jpcc.5b11027
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