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Author |
Kim, E.; Roosen, J.; Horckmans, L.; Spooren, J.; Broos, K.; Binnemans, K.; Vrancken, K.C.M.; Quaghebeur, M. |
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Title |
Process development for hydrometallurgical recovery of valuable metals from sulfide-rich residue generated in a secondary lead smelter |
Type |
A1 Journal article |
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Year  |
2017 |
Publication |
Hydrometallurgy |
Abbreviated Journal |
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Volume |
169 |
Issue |
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Pages |
589-598 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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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. |
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Wos |
000401878200070 |
Publication Date |
2017-04-03 |
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Series Issue |
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Edition |
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ISSN |
0304-386x |
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UA library record; WoS full record; WoS citing articles |
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Open Access |
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no |
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Call Number |
UA @ admin @ c:irua:144300 |
Serial |
8414 |
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Author |
Rezaei, M.; De Pue, J.; Seuntjens, P.; Joris, I.; Cornelis, W. |
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Title |
Quasi 3D modelling of vadose zone soil-water flow for optimizing irrigation strategies : challenges, uncertainties and efficiencies |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Environmental modelling and software |
Abbreviated Journal |
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Volume |
93 |
Issue |
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Pages |
59-77 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
A quasi 3D modelling approach was developed by integrating a crop growth (LINGRA-N) and a hydrological model (Hydrus-1D) to simulate and visualize water flow, soil-water storage, water stress and crop yield over a heterogeneous sandy field. We assessed computational efficiency and uncertainty with low to high-spatial resolution input factors (soil-hydraulic properties, soil-layer thickness and groundwater level) and evaluated four irrigation scenarios (no, current, optimized and triggered) to find the optimal and cost-effective irrigation scheduling. Numerical results showed that the simulation uncertainty was reduced when using the high-resolution information while a fast performance was maintained. The approach accurately determined the field scale irrigation requirements, taking into account spatial variations of input information. Optimal irrigation scheduling is obtained by triggered-irrigation resulting in saving up to similar to 300% water as compared to the current-irrigation, while yield increased similar to 1%. Overall, the approach can be useful to help decision makers and applicants in precision farming. (C) 2017 Published by Elsevier Ltd. |
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Wos |
000403512500005 |
Publication Date |
2017-03-21 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1364-8152 |
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UA library record; WoS full record; WoS citing articles |
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no |
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Call Number |
UA @ admin @ c:irua:144167 |
Serial |
8445 |
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Author |
Kim, E.; Horckmans, L.; Spooren, J.; Broos, K.; Vrancken, K.C.M.; Quaghebeur, M. |
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Title |
Recycling of a secondary lead smelting matte by selective citrate leaching of valuable metals and simultaneous recovery of hematite as a secondary resource |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Hydrometallurgy |
Abbreviated Journal |
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Volume |
169 |
Issue |
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Pages |
290-296 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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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. |
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Wos |
000401878200035 |
Publication Date |
2017-02-14 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-386x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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no |
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Call Number |
UA @ admin @ c:irua:144298 |
Serial |
8463 |
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Author |
Kim, E.; Horckmans, L.; Spooren, J.; Vrancken, K.C.; Quaghebeur, M.; Broos, K. |
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Title |
Selective leaching of Pb, Cu, Ni and Zn from secondary lead smelting residues |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Hydrometallurgy |
Abbreviated Journal |
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Volume |
169 |
Issue |
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Pages |
372-381 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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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. |
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Wos |
000401878200045 |
Publication Date |
2017-03-02 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-386x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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no |
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Call Number |
UA @ admin @ c:irua:144299 |
Serial |
8503 |
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Author |
Peng, L.; Carvajal-Arroyo, J.M.; Seuntjens, D.; Prat, D.; Colica, G.; Pintucci, C.; Vlaeminck, S.E. |
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Title |
Smart operation of nitritation/denitritation virtually abolishes nitrous oxide emission during treatment of co-digested pig slurry centrate |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Water research |
Abbreviated Journal |
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Volume |
127 |
Issue |
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Pages |
1-10 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The implementation of nitritation/denitritation (Nit/DNit) as alternative to nitrification/denitrification (N/DN) is driven by operational cost savings, e.g. 1.0-1.8 EUR/ton slurry treated. However, as for any biological nitrogen removal process, Nit/DNit can emit the potent greenhouse gas nitrous oxide (N2O). Challenges remain in understanding formation mechanisms and in mitigating the emissions, particularly at a low ratio of organic carbon consumption to nitrogen removal (CODrem/N-rem). In this study, the centrate (centrifuge supernatant) from anaerobic co-digestion of pig slurry was treated in a sequencing batch reactor. The process removed approximately 100% of ammonium a satisfactory nitrogen loading rate (0.4 g N/L/d), with minimum nitrite and nitrate in the effluent. Substantial N2O emission (around 17% of the ammonium nitrogen loading) was observed at the baseline operational condition (dissolved oxygen, DO, levels averaged at 0.85 mg O-2/L; CODrem/N-rem of 2.8) with similar to 68% of the total emission contributed by nitritation. Emissions increased with higher nitrite accumulation and lower organic carbon to nitrogen ratio. Yet, higher DO levels (similar to 2.2 mg O-2/L) lowered the aerobic N2O emission and weakened the dependency on nitrite concentration, suggesting a shift in N2O production pathway. The most effective N2O mitigation strategy combined intermittent patterns of aeration, anoxic feeding and anoxic carbon dosage, decreasing emission by over 99% (down to similar to 0.12% of the ammonium nitrogen loading). Without anaerobic digestion, mitigated Nit/DNit decreases the operational carbon footprint with about 80% compared to N/DN. With anaerobic digestion included, about 4 times more carbon is sequestered. In conclusion, the low CODrem/N-rem feature of Nit/DNit no longer offsets its environmental sustainability provided the process is smartly operated. (c) 2017 Elsevier Ltd. All rights reserved. |
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Wos |
000418219000001 |
Publication Date |
2017-09-30 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0043-1354; 1879-2448 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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no |
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Call Number |
UA @ admin @ c:irua:148521 |
Serial |
8548 |
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Author |
Cristale, J.; Álvarez-Martín, A.; Rodriguez-Cruz, S.; Sanchez-Martin, M.J.; Lacorte, S. |
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Title |
Sorption and desorption of organophosphate esters with different hydrophobicity by soils |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Environmental Science and Pollution Research |
Abbreviated Journal |
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Volume |
24 |
Issue |
36 |
Pages |
27870-27878 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Organophosphate esters (OPEs) are ubiquitous contaminants with potentially hazardous effects on both the environment and human health. Knowledge about the soil sorption-desorption process of organic chemicals is important in order to understand their fate, mobility, and bioavailability, enabling an estimation to be made of possible risks to the environment and biota. The aim of this study was to use the batch equilibrium technique to evaluate the sorption-desorption behavior of seven OPEs (TCEP, TCPP, TBEP, TDCP, TBP, TPhP, and EHDP) in soils with distinctive characteristics (two unamended soils and a soil amended with sewage sludge). The equilibrium concentrations of the OPEs were determined by high performance liquid chromatography coupled to a triple quadrupole mass spectrometer (HPLC-MS/MS). All the compounds were sorbed by the soils, and soil organic carbon (OC) played an important role in this process. The sorption of the most soluble OPEs (TCEP, TCPP, and TBEP) depended on soil OC content, although desorption was 58.1%. The less water-soluble OPEs (TDCP, TBP, TPhP, and EHDP) recorded total sorption (100% for TPhP and EHDP) or very high sorption (34.9%) by all the soils and were not desorbed, which could be explained by their highly hydrophobic nature, as indicated by the logarithmic octanol/water partition coefficient (K-ow) values higher than 3.8, resulting in a high affinity for soil OC. The results of the sorption-desorption of the OPEs by soils with different characteristics highlighted the influence of these compounds' physicochemical properties and the content and nature of soil OC in this process. |
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Wos |
000417874400025 |
Publication Date |
2017-10-07 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0944-1344; 1614-7499 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Open Access |
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no |
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Call Number |
UA @ admin @ c:irua:160642 |
Serial |
8558 |
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Author |
de Araujo, J.L.B.; Munarin, F.F.; Farias, G.A.; Peeters, F.M.; Ferreira, W.P. |
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Title |
Structure and reentrant percolation in an inverse patchy colloidal system |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Physical Review E |
Abbreviated Journal |
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Volume |
95 |
Issue |
6 |
Pages |
062606 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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. |
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Wos |
000404545700005 |
Publication Date |
2017-06-27 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
5 |
Open Access |
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no |
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Call Number |
UA @ admin @ c:irua:152628 |
Serial |
8587 |
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Author |
Kandemir, A.; Ozden, A.; Cagin, T.; Sevik, C. |
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Title |
Thermal conductivity engineering of bulk and one-dimensional Si-Ge nanoarchitectures |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Science and technology of advanced materials |
Abbreviated Journal |
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Volume |
18 |
Issue |
1 |
Pages |
187-196 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Various theoretical and experimental methods are utilized to investigate the thermal conductivity of nanostructured materials; this is a critical parameter to increase performance of thermoelectric devices. Among these methods, equilibrium molecular dynamics (EMD) is an accurate technique to predict lattice thermal conductivity. In this study, by means of systematic EMD simulations, thermal conductivity of bulk Si-Ge structures (pristine, alloy and superlattice) and their nanostructured one dimensional forms with square and circular cross-section geometries (asymmetric and symmetric) are calculated for different crystallographic directions. A comprehensive temperature analysis is evaluated for selected structures as well. The results show that one-dimensional structures are superior candidates in terms of their low lattice thermal conductivity and thermal conductivity tunability by nanostructuring, such as by diameter modulation, interface roughness, periodicity and number of interfaces. We find that thermal conductivity decreases with smaller diameters or cross section areas. Furthermore, interface roughness decreases thermal conductivity with a profound impact. Moreover, we predicted that there is a specific periodicity that gives minimum thermal conductivity in symmetric superlattice structures. The decreasing thermal conductivity is due to the reducing phonon movement in the system due to the effect of the number of interfaces that determine regimes of ballistic and wave transport phenomena. In some nanostructures, such as nanowire superlattices, thermal conductivity of the Si/Ge system can be reduced to nearly twice that of an amorphous silicon thermal conductivity. Additionally, it is found that one crystal orientation, <100>, is better than the <111> crystal orientation in one-dimensional and bulk SiGe systems. Our results clearly point out the importance of lattice thermal conductivity engineering in bulk and nanostructures to produce high-performance thermoelectric materials. |
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Wos |
000405949800001 |
Publication Date |
2017-03-13 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1468-6996; 1878-5514 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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Open Access |
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no |
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Call Number |
UA @ admin @ c:irua:193772 |
Serial |
8662 |
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Author |
Bencs, L.; Horemans, B.; Buczyńska, A.J.; Van Grieken, R. |
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Title |
Uneven distribution of inorganic pollutants in marine air originating from ocean-going ships |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Environmental pollution |
Abbreviated Journal |
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Volume |
222 |
Issue |
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Pages |
226-233 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The distribution of mass, water-soluble inorganic salts and mineral elements of size-segregated aerosols (PM1, PM2.5-1 and PM10-2.5), precursor gaseous pollutants, black carbon, and nanoparticles (10-300 nm size range) at the Southern Bight of the North Sea has been studied. The concentrations of air pollutants peaked over shipping lanes, open-water anchorage areas and frequently navigated waters, due to the presence of mobile emission sources. A considerable decrease in air pollutant levels was seen when diverting from these marine areas towards remote or coastal banks. These findings showed the rapid dispersion of pollutants in the marine air. The nano-aerosol count, originating from ocean-going ships, peaked at lower average aerodynamic diameters (e.g., approximate to 28 nm) than those, observed from low displacement vessels (45-50 nm, e.g., for fishing boats). The average diameter of nano-PM depended also on weather conditions, e.g., it was higher (approximate to 50 nm) in air of higher humidity. (C) 2016 Elsevier Ltd. All rights reserved. |
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Place of Publication |
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Wos |
000395360900028 |
Publication Date |
2017-01-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0269-7491; 1873-6424 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:142516 |
Serial |
8710 |
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Author |
Defoirdt, T.; Vlaeminck, S.E.; Sun, X.; Boon, N.; Clauwaert, P. |
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Title |
Ureolytic activity and its regulation in vibrio campbellii and vibrio harveyi in relation to nitrogen recovery from human urine |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Environmental science and technology |
Abbreviated Journal |
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Volume |
51 |
Issue |
22 |
Pages |
13335-13343 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Human urine contains a high concentration of nitrogen and is therefore an interesting source for nutrient recovery. Ureolysis is a key requirement in many processes aiming at nitrogen recovery from urine. Although ureolytic activity is widespread in terrestrial and aquatic environments, very little is known about the urease activity and regulation in specific bacteria other than human pathogens. Given the relatively high salt concentration of urine, marine bacteria would be particularly well suited for biotechnological applications involving nitrogen recovery from urine, and therefore, in this study, we investigated ureolytic activity and its regulation in marine vibrios. Thirteen out of 14 strains showed ureolytic activity. The urease activity was induced by urea, since complete and very rapid hydrolysis, up to 4 g L-1 of urea, was observed in synthetic human urine when the bacteria were pretreated with 10 g L-1 urea, whereas slow hydrolysis occurred when they were pretreated with 1 g L-1 urea (14-35% hydrolysis after 2 days). There was no correlation between biofilm formation and "motility on one hand, and ureolysis on the other hand, and biofilm and motility inhibitors did not affect ureolysis. Together, our data demonstrate for the first time the potential of marine vibrios as fast urea hydrolyzers for biotechnological applications aiming at nutrient recovery from human urine. |
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Wos |
000416496700032 |
Publication Date |
2017-10-30 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0013-936x; 1520-5851 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:147703 |
Serial |
8716 |
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| Permanent link to this record |
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Author |
da Costa, D.R.; Chaves, A.; Farias, G.A.; Peeters, F.M. |
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Title |
Valley filtering in graphene due to substrate-induced mass potential |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
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| |
Volume |
29 |
Issue |
21 |
Pages |
215502 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The interaction of monolayer graphene with specific substrates may break its sublattice symmetry and results in unidirectional chiral states with opposite group velocities in the different Dirac cones (Zarenia et al 2012 Phys. Rev. B 86 085451). Taking advantage of this feature, we propose a valley filter based on a transversal mass kink for low energy electrons in graphene, which is obtained by assuming a defect region in the substrate that provides a change in the sign of the substrate-induced mass and thus creates a non-biased channel, perpendicular to the kink, for electron motion. By solving the time-dependent Schrodinger equation for the tight-binding Hamiltonian, we investigate the time evolution of a Gaussian wave packet propagating through such a system and obtain the transport properties of this graphene-based substrate-induced quantum point contact. Our results demonstrate that efficient valley filtering can be obtained, provided: (i) the electron energy is sufficiently low, i.e. with electrons belonging mostly to the lowest sub-band of the channel, and (ii) the channel length (width) is sufficiently long (narrow). Moreover, even though the transmission probabilities for each valley are significantly affected by impurities and defects in the channel region, the valley polarization in this system is shown to be robust against their presence. |
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Place of Publication |
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Wos |
000400092700002 |
Publication Date |
2017-04-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
15 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:152636 |
Serial |
8730 |
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| Permanent link to this record |
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Author |
Leenaerts, O.; Partoens, B.; Peeters, F.M.; Volodin, A.; van Haesendonck, C. |
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Title |
The work function of few-layer graphene |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
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| |
Volume |
29 |
Issue |
3 |
Pages |
035003 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
A theoretical and experimental study of the work function of few-layer graphene is reported. The influence of the number of layers on the work function is investigated in the presence of a substrate, a molecular dipole layer, and combinations of the two. The work function of few-layer graphene is almost independent of the number of layers with only a difference between monolayer and multilayer graphene of about 60 meV. In the presence of a charge-donating substrate the charge distribution is found to decay exponentially away from the substrate and this is directly reflected in the work function of few-layer graphene. A dipole layer changes the work function only when placed in between the substrate and few-layer graphene through a change of the charge transfer between the two. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000425250600002 |
Publication Date |
2016-11-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
61 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:164938 |
Serial |
8760 |
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Author |
Martinez, G.T.; van den Bos, K.H.W.; Alania, M.; Nellist, P.D.; Van Aert, S. |
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Title |
Thickness dependence of scattering cross-sections in quantitative scanning transmission electron microscopy |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
187 |
Issue |
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Pages |
84-92 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
In quantitative scanning transmission electron microscopy (STEM), scattering cross-sections have been shown to be very sensitive to the number of atoms in a column and its composition. They correspond to the integrated intensity over the atomic column and they outperform other measures. As compared to atomic column peak intensities, which saturate at a given thickness, scattering cross-sections increase monotonically. A study of the electron wave propagation is presented to explain the sensitivity of the scattering cross-sections. Based on the multislice algorithm, we analyse the wave propagation inside the crystal and its link to the scattered signal for the different probe positions contained in the scattering cross-section for detector collection in the low-, middle- and high-angle regimes. The influence to the signal from scattering of neighbouring columns is also discussed. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000428131200011 |
Publication Date |
2018-01-31 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
4 |
Open Access |
Not_Open_Access: Available from 01.02.2020
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Notes |
The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings ( G.0374.13N , G.0369.15N , G.0368.15N and WO.010.16N ) and a PhD grant to K.H.W.v.d.B. The research leading to these results has received funding from the European Union 7th Framework Programme [ FP7 /2007-2013] under Grant agreement no. 312483 (ESTEEM2). The authors are grateful to A. Rosenauer for providing access to the StemSim software. |
Approved |
Most recent IF: 2.843 |
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Call Number |
EMAT @ emat @c:irua:149384 |
Serial |
4809 |
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| Permanent link to this record |
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Author |
Charkin, D.O.; Plokhikh, I.V.; Kazakov, S.M.; Kalmykov, S.N.; Akinfiev, V.S.; Gorbachev, A.V.; Batuk, M.; Abakumov, A.M.; Teterin, Y.A.; Maslakov, K.I.; Teterin, A.Y.; Ivanov, K.E. |
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Title |
Synthesis and structural characterization of a novel Sillén – Aurivillius bismuth oxyhalide, PbBi3VO7.5Cl, and its derivatives |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Solid state sciences |
Abbreviated Journal |
Solid State Sci |
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Volume |
75 |
Issue |
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Pages |
27-33 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A new Sillen – Aurivillius family of layered bismuth oxyhalides has been designed and successfully constructed on the basis of PbBiO2X(X = halogen) synthetic perites and g-form of Bi2VO5.5 solid elec- trolyte. This demonstrates, for the first time, the ability of the latter to serve as a building block in construction of mixed-layer structures. The parent compound PbBi3VO7.5-dCl (d = 0.05) has been investigated by powder XRD, TEM, XPS methods and magnetic susceptibility measurements. An unexpected but important condition for the formation of the mixed-layer structure is partial (ca. 5%) reduction of VV into VIV which probably suppresses competitive formation of apatite-like Pb – Bi vanadates. This reduction also stabilizes the g polymorphic form of Bi2VO5.5 not only in the intergrowth structure, but in Bi2V1-xMxO5.5-y (M – Nb, Sb) solid solutions. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000418566200005 |
Publication Date |
2017-11-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1293-2558 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.811 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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Notes |
The work was partially supported by M.V. Lomonosov Moscow State University Program of Development and Russian Science Foundation under Grant No.14-13-00738. We also thank Dr. K.V. Zakharov (MSU) for the magnetic measurements of the PbBi3- VO7.5Cl sample. |
Approved |
Most recent IF: 1.811 |
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Call Number |
EMAT @ emat @c:irua:147239 |
Serial |
4769 |
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| Permanent link to this record |
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Author |
Vishwakarma, M.; Karakulina, O.M.; Abakumov, A.M.; Hadermann, J.; Mehta, B.R. |
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Title |
Nanoscale Characterization of Growth of Secondary Phases in Off-Stoichiometric CZTS Thin Films |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of nanoscience and nanotechnology |
Abbreviated Journal |
J Nanosci Nanotechno |
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Volume |
18 |
Issue |
3 |
Pages |
1688-1695 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The presence of secondary phases is one of the main issues that hinder the growth of pure kesterite Cu2ZnSnS4 (CZTS) based thin films with suitable electronic and junction properties for efficient solar cell devices. In this work, CZTS thin films with varied Zn and Sn content have been prepared by RF-power controlled co-sputtering deposition using Cu, ZnS and SnS targets and a subsequent sulphurization step. Detailed TEM investigations show that the film shows a layered structure with the majority of the top layer being the kesterite phase. Depending on the initial thin film composition, either about ~1 μm Cu-rich and Zn-poor kesterite or stoichiometric CZTS is formed as top layer. X-ray diffraction, Raman spectroscopy and transmission electron microscopy reveal the presence of Cu2−x S, ZnS and SnO2 minor secondary phases in the form of nanoinclusions or nanoparticles or intermediate layers. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000426033400022 |
Publication Date |
2018-03-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1533-4880 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.483 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
Manoj Vishwakarma acknowl- edges IIT Delhi for MHRD fellowship. Professor B. R. Mehta acknowledges the support of the Schlumberger chair professorship. Manoj Vishwakarma, Joke Hadermann and Olesia M. karakulina acknowledge support provided by InsoL-DST. Manoj Vishwakarma acknowledges sup- port provided by CSIR funded projects and the support of DST-FIST Raman facility. References |
Approved |
Most recent IF: 1.483 |
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Call Number |
EMAT @ emat @c:irua:147505 |
Serial |
4775 |
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Author |
Liao, T.-W.; Verbruggen, S.; Claes, N.; Yadav, A.; Grandjean, D.; Bals, S.; Lievens, P. |
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Title |
TiO2 Films Modified with Au Nanoclusters as Self-Cleaning Surfaces under Visible Light |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Nanomaterials |
Abbreviated Journal |
Nanomaterials-Basel |
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Volume |
8 |
Issue |
8 |
Pages |
30 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
In this study, we applied cluster beam deposition (CBD) as a new approach for fabricating efficient plasmon-based photocatalytic materials. Au nanoclusters (AuNCs) produced in the gas phase were deposited on TiO2 P25-coated silicon wafers with coverage ranging from 2 to 8 atomic monolayer (ML) equivalents. Scanning Electron Microscopy (SEM) images of the AuNCs modified TiO2 P25 films show that the surface is uniformly covered by the AuNCs that remain isolated at low coverage (2 ML, 4 ML) and aggregate at higher coverage (8 ML). A clear relationship between AuNCs coverage and photocatalytic activity towards stearic acid photo-oxidation was measured, both under ultraviolet and green light illumination. TiO2 P25 covered with 4 ML AuNCs showed the best stearic acid photo-oxidation performance under green light illumination (Formal Quantum Efficiency 1.6 x 10-6 over a period of 93 h). These results demonstrate the large potential of gas-phase AuNCs beam deposition technology for the fabrication of visible light active plasmonic photocatalysts. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000424131600030 |
Publication Date |
2018-01-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2079-4991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.553 |
Times cited |
29 |
Open Access |
OpenAccess |
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Notes |
The research leading to these results has received funding from the European Union’s Seventh Framework Programme (FP7/2007-2013) under grant agreement n 607417 (Catsense). We also thank the Research Foundation—Flanders (FWO, Belgium), the Flemish Concerted Action (BOF KU Leuven, Project No. GOA/14/007) research program, and the microscope was partly funded by the Hercules Fund from the Flemish Government for the support. N.C. and S.B. acknowledge financial support from European Research Council (ERC Starting Grant #335078-COLOURATOM). ECAS_Sara (ROMEO:green; preprint:; postprint:can ; pdfversion:can); |
Approved |
Most recent IF: 3.553 |
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Call Number |
EMAT @ emat @c:irua:147898UA @ admin @ c:irua:147898 |
Serial |
4805 |
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Author |
Wang, W.; Kim, H.-H.; Van Laer, K.; Bogaerts, A. |
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Title |
Streamer propagation in a packed bed plasma reactor for plasma catalysis applications |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
334 |
Issue |
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Pages |
2467-2479 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
A packed bed dielectric barrier discharge (DBD) is widely used for plasma catalysis applications, but the exact plasma characteristics in between the packing beads are far from understood. Therefore, we study here these plasma characteristics by means of fluid modelling and experimental observations using ICCD imaging, for packing materials with different dielectric constants. Our study reveals that a packed bed DBD reactor in dry air at atmospheric pressure may show three types of discharges, i.e. positive restrikes, filamentary microdischarges, which can also be localized between two packing beads, and surface discharges (so-called surface ionization
waves). Restrikes between the dielectric surfaces result in the formation of filamentary microdischarges, while surface charging creates electric field components parallel to the dielectric surfaces, leading to the formation of surface discharges. A transition in discharge mode occurs from surface discharges to local filamentary discharges between the packing beads when the dielectric constant of the packing rises from 5 to 1000. This may have implications for the efficiency of plasma catalytic gas treatment, because the catalyst activation may be limited by constraining the discharge to the contact points of the beads. The production of reactive species occurs most in the positive restrikes, the surface discharges and the local microdischarges in between the beads, and is less significant in the longer filamentary microdischarges. The faster streamer propagation and discharge development with higher dielectric constant of the packing beads leads to a faster production of reactive species. This study is of great interest for plasma catalysis, where packing beads with different dielectric constants are often used as supports for the catalytic materials. It allows us to better understand how different packing materials can influence the performance of packed bed plasma reactors for environmental applications. |
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Wos |
000418533400246 |
Publication Date |
2017-11-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1385-8947 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.216 |
Times cited |
36 |
Open Access |
Not_Open_Access: Available from 10.01.2020
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Notes |
We acknowledge financial support from the Fund for Scientific Research Flanders (FWO) (grant nos G.0217.14 N, G.0254.14 N and G.0383.16 N), the TOP-BOF project of the University of Antwerp, the European Marie Skłodowska-Curie Individual Fellowship “GlidArc” within Horizon2020 (Grant No. 657304) and the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Flanders). This research was carried out in the framework of the network on Physical Chemistry of Plasma-Surface Interactions – Interuniversity Attraction Poles, phase VII (http://psi-iap7.ulb.ac.be/), and supported by the Belgian Science Policy Office (BELSPO). The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. |
Approved |
Most recent IF: 6.216 |
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Call Number |
PLASMANT @ plasmant @c:irua:147864 |
Serial |
4800 |
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Author |
Schattschneider, P.; Schachinger, T.; Verbeeck, J. |
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Title |
Ein Whirlpool aus Elektronen: Transmissions-Elektronenmikroskopie mit Elektronenwirbeln |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physik in unserer Zeit |
Abbreviated Journal |
Phys. Unserer Zeit |
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Volume |
49 |
Issue |
1 |
Pages |
22-28 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Elektronen bewegen sich im feldfreien Raum immer gleichförmig geradlinig, so steht es in den Lehrbüchern. Falsch, sagen wir. Elektronen lassen sich zu Tornados formen, die theoretisch Nanopartikel zerreißen können. In der Elektronenmikroskopie eingesetzt, versprechen sie neue Erkenntnisse in der Festkörperphysik. |
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Wos |
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Publication Date |
2018-01-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0031-9252 |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @c:irua:148159 |
Serial |
4806 |
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Author |
Winckelmans, N.; Altantzis, T.; Grzelczak, M.; Sánchez-Iglesias, A.; Liz-Marzán, L.M.; Bals, S. |
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Title |
Multimode Electron Tomography as a Tool to Characterize the Internal Structure and Morphology of Gold Nanoparticles |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
122 |
Issue |
122 |
Pages |
13522-13528 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Three dimensional (3D) characterization of structural defects in nanoparticles by transmission electron microscopy is far from straightforward. We propose the use of a dose-efficient approach, so-called multimode tomography, during which tilt series of low and high angle annular dark field scanning transmission electron microscopy projection images are acquired simultaneously. In this manner, not only reliable information can be obtained concerning the shape of the nanoparticles, but also the twin planes can be clearly visualized in 3D. As an example, we demonstrate the application of this approach to identify the position of the seeds with respect to the twinning planes in anisotropic gold nanoparticles synthesized using a seed mediated growth approach. |
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Place of Publication |
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Language |
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Wos |
000437811500036 |
Publication Date |
2018-01-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.536 |
Times cited |
23 |
Open Access |
OpenAccess |
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| |
Notes |
S.B. and N.W. acknowledge funding from the European Research Council under the Seventh Framework Program (FP7), ERC Grant No. 335078 COLOURATOM. S.B. and T.A. acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0369.15N and G.0218.14N) and a postdoctoral research grant to T.A. L.M.L.-M. and M.G. acknowledge funding from the Spanish Ministerio de Economía y Competitividad (grant MAT2013-46101-R). L.M.L.-M. and S.B. acknowledge funding from the European Commission (grant EUSMI 731019). (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); saraecas; ECAS_Sara; |
Approved |
Most recent IF: 4.536 |
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| |
Call Number |
EMAT @ emat @c:irua:148164UA @ admin @ c:irua:148164 |
Serial |
4807 |
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| Permanent link to this record |
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Author |
Gorbanev, Y.; Verlackt, C.C.W.; Tinck, S.; Tuenter, E.; Foubert, K.; Cos, P.; Bogaerts, A. |
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| |
Title |
Combining experimental and modelling approaches to study the sources of reactive species induced in water by the COST RF plasma jet |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
|
| |
Volume |
20 |
Issue |
4 |
Pages |
2797-2808 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
The vast biomedical potential of cold atmospheric pressure plasmas (CAPs) is governed by the formation of reactive species. These biologically active species are formed upon the interaction of CAPs with the surroundings. In biological milieu, water plays an essential role. The development of biomedical CAPs thus requires understanding of the sources of the reactive species in aqueous media exposed to the plasma. This is especially important in case of the COST RF plasma jet, which is developed as a reference microplasma system. In this work, we investigated the formation of the OH radicals, H atoms and H2O2 in aqueous solutions exposed to the COST plasma jet. This was done by combining experimental and modelling approaches. The liquid phase species were analysed using UV-Vis spectroscopy and spin trapping with hydrogen isotopes and electron paramagnetic resonance (EPR) spectroscopy. The discrimination between the species formed from the liquid phase and the gas phase molecules was performed by EPR and 1H-NMR analyses of the liquid samples. The concentrations of the reactive species in the gas phase plasma were obtained using a zero-dimensional (0D) chemical kinetics computational model. A three-dimensional (3D) fluid dynamics model was developed to provide information on the induced humidity in the plasma effluent. The comparison of the experimentally obtained trends for the formation of the species as a function of the feed gas and effluent humidity with the modelling results suggest that all reactive species detected in our system are mostly formed in the gas phase plasma inside the COST jet, with minor amounts arising from the plasma effluent humidity. |
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Wos |
000423505500066 |
Publication Date |
2018-01-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1463-9076 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.123 |
Times cited |
23 |
Open Access |
OpenAccess |
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Notes |
We are grateful to Volker Schulz-von der Gathen (Experimental Physics II: Application Oriented Plasma Physics, Ruhr-Universita¨t Bochum, Germany) for providing the COST RF plasma jet. We thank our colleagues at the University of Antwerp: Gilles Van Loon (Mechanical Workshop), Karen Leyssens (Research group PLASMANT), and Sylvia Dewilde (Department of Biomedical Sciences) for their help with the equipment. This work was funded by the European Marie Sklodowska-Curie Individual Fellowship ‘LTPAM’ within Horizon2020 (grant no. 657304). Stefan Tinck thanks the Fund for Scientific Research – Flanders (FWO) for supporting his work (grant no. 0880.212.840). |
Approved |
Most recent IF: 4.123 |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:148365 |
Serial |
4808 |
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| Permanent link to this record |
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Author |
Alves, L.L.; Bogaerts, A.; Guerra, V.; Turner, M.M. |
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| |
Title |
Foundations of modelling of nonequilibrium low-temperature plasmas |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
|
| |
Volume |
27 |
Issue |
2 |
Pages |
023002 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
This work explains the need for plasma models, introduces arguments for choosing the type of model that better fits the purpose of each study, and presents the basics of the most common nonequilibrium low-temperature plasma models and the information available from each one, along with an extensive list of references for complementary in-depth reading. The paper presents the following models, organised according to the level of multi-dimensional description of the plasma: kinetic models, based on either a statistical particle-in-cell/Monte-Carlo approach or the solution to the Boltzmann equation (in the latter case, special focus is given to the description of the electron kinetics); multi-fluid models, based on the solution to the hydrodynamic equations; global (spatially-average) models, based on the solution to the particle and energy rate-balance equations for the main plasma species, usually including a very complete reaction chemistry; mesoscopic models for plasma–surface interaction, adopting either a deterministic approach or a stochastic dynamical Monte-Carlo approach. For each plasma model, the paper puts forward the physics context, introduces the fundamental equations, presents advantages and limitations, also from a numerical perspective, and illustrates its application with some examples. Whenever pertinent, the interconnection between models is also discussed, in view of multi-scale hybrid approaches. |
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Place of Publication |
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Wos |
000425688600001 |
Publication Date |
2018-02-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1361-6595 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.302 |
Times cited |
17 |
Open Access |
OpenAccess |
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Notes |
The authors would like to thank A Tejero-Del-Caz and A Berthelot for their technical contributions in writing the manuscript. This work was partially funded by Portuguese FCT —Fundação para a Ciência e a Tecnologia, under projects UID/ FIS/50010/2013, PTDC/FISPLA/1243/2014 (KIT-PLAS- MEBA) and PTDC/FIS-PLA/1420/2014 (PREMiERE). |
Approved |
Most recent IF: 3.302 |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:149391 |
Serial |
4810 |
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| Permanent link to this record |
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Author |
Yusupov, M.; Yan, D.; Cordeiro, R.M.; Bogaerts, A. |
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Title |
Atomic scale simulation of H2O2permeation through aquaporin: toward the understanding of plasma cancer treatment |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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| |
Volume |
51 |
Issue |
12 |
Pages |
125401 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Experiments have demonstrated the potential selective anticancer capacity of cold atmospheric plasmas (CAPs), but the underlying mechanisms remain unclear. Using computer simulations, we try to shed light on the mechanism of selectivity, based on aquaporins (AQPs), i.e. transmembrane protein channels transferring external H 2 O 2 and other reactive oxygen species, created e.g. by CAPs, to the cell interior. Specifically, we perform molecular dynamics simulations for the permeation of H 2 O 2 through AQP1 (one of the members of the AQP family) and the palmitoyl-oleoyl-phosphatidylcholine (POPC) phospholipid bilayer (PLB). The free energy barrier of H 2 O 2 across AQP1 is lower than for the POPC PLB, while the permeability coefficient, calculated using the free energy and diffusion rate profiles, is two orders of magnitude higher. This indicates that the delivery of H 2 O 2 into the cell interior should be through AQP. Our study gives a better insight into the role of AQPs in the selectivity of CAPs for treating cancer cells. |
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Corporate Author |
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Wos |
000426378100001 |
Publication Date |
2018-02-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.588 |
Times cited |
7 |
Open Access |
OpenAccess |
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Notes |
MY gratefully acknowledges financial support from the Research Foundation—Flanders (FWO) via Grant No. 1200216N and a travel grant to George Washington University (GWU). The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Super- computer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. Work at GWU was supported by the National Science Foundation, grant 1465061. RMC thanks FAPESP and CNPq for finan- cial support (Grant Nos. 2012/50680-5 and 459270/2014-1, respectively). |
Approved |
Most recent IF: 2.588 |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:149382 |
Serial |
4811 |
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| Permanent link to this record |
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Author |
Yang, Z.; Altantzis, T.; Bals, S.; Tendeloo, G.V.; Pileni, M.-P. |
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Title |
Do Binary Supracrystals Enhance the Crystal Stability? |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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| |
Volume |
122 |
Issue |
122 |
Pages |
13515-13521 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
We study the oxygen thermal stability of two binary
systems. The larger particles are magnetic amorphous Co (7.2 nm) or
Fe3O4 (7.5 nm) nanocrystals, whereas the smaller ones (3.7 nm) are
Au nanocrystals. The nanocrystal ordering as well as the choice of the
magnetic nanoparticles very much influence the stability of the binary
system. A perfect crystalline structure is obtained with the Fe3O4/Au
binary supracrystals. For the Co/Au binary system, oxidation of Co
results in the chemical transformation from Co to CoO, where the size
of the amorphous Co nanoparticles increases from 7.2 to 9.8 nm in
diameter. During the volume expansion of the Co nanoparticles, Au
nanoparticles within the binary assemblies coalesce and are at the
origin of the instability of the binary nanoparticle supracrystals. On the
other hand, for the Fe3O4/Au binary system, the oxidation of Fe3O4 to
γ-Fe2O3 does not lead to a size change of the nanoparticles, which
maintains the stability of the binary nanoparticle supracrystals. A similar behavior is observed for an AlB2-type Co−Ag binary
system: The crystalline structure is maintained, whereas in disordered assemblies, coalescence of Ag nanocrystals is observed. |
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Place of Publication |
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Language |
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Wos |
000437811500035 |
Publication Date |
2018-01-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
5 |
Open Access |
OpenAccess |
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Notes |
The research leading to these results has been supported by an Advanced Grant of the European Research Council under Grant 267129. The authors appreciate financial support by the European Union under the Framework 7 program under a contract for an Integrated Infrastructure Initiative (Reference No. 262348 ESMI). S.B. acknowledges funding from ERC Starting Grant COLOURATOMS (335078). T.A. acknowledges a postdoctoral grant from the Research Foundation Flanders (FWO, Belgium). (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ecas_sara |
Approved |
Most recent IF: 4.536 |
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| |
Call Number |
EMAT @ emat @c:irua:149388UA @ admin @ c:irua:149388 |
Serial |
4812 |
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Author |
Bal, K.M.; Huygh, S.; Bogaerts, A.; Neyts, E.C. |
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Title |
Effect of plasma-induced surface charging on catalytic processes: application to CO2activation |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
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| |
Volume |
27 |
Issue |
2 |
Pages |
024001 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Understanding the nature and effect of the multitude of plasma–surface interactions in plasma catalysis is a crucial requirement for further process development and improvement. A particularly intriguing and rather unique property of a plasma-catalytic setup is the ability of the plasma to modify the electronic structure, and hence chemical properties, of the catalyst through charging, i.e. the absorption of excess electrons. In this work, we develop a quantum chemical model based on density functional theory to study excess negative surface charges in a heterogeneous catalyst exposed to a plasma. This method is specifically applied to investigate plasma-catalytic CO2 activation on supported M/Al2O3 (M=Ti, Ni, Cu) single atom catalysts. We find that (1) the presence of a negative surface charge dramatically improves the reductive power of the catalyst, strongly promoting the splitting of CO2 to CO and oxygen, and (2) the relative activity of the investigated transition metals is also changed upon charging, suggesting that controlled surface charging is a powerful additional parameter to tune catalyst activity and selectivity. These results strongly point to plasma-induced surface charging of the catalyst as an important factor contributing to the plasma-catalyst synergistic effects frequently reported for plasma catalysis. |
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Corporate Author |
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Place of Publication |
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Editor |
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Language |
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Wos |
000424520100001 |
Publication Date |
2018-02-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1361-6595 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.302 |
Times cited |
19 |
Open Access |
OpenAccess |
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Notes |
KMB is funded as PhD fellow (aspirant) of the FWO-Flanders (Research Foundation—Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government— department EWI. |
Approved |
Most recent IF: 3.302 |
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Call Number |
PLASMANT @ plasmant @c:irua:149285 |
Serial |
4813 |
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Author |
Bekaert, J.; Aperis, A.; Partoens, B.; Oppeneer, P.M.; Milošević, M.V. |
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Title |
Advanced first-principles theory of superconductivity including both lattice vibrations and spin fluctuations : the case of FeB4 |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
97 |
Issue |
1 |
Pages |
014503 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
<script type='text/javascript'>document.write(unpmarked('We present an advanced method to study spin fluctuations in superconductors quantitatively and entirely from first principles. This method can be generally applied to materials where electron-phonon coupling and spin fluctuations coexist. We employ it here to examine the recently synthesized superconductor iron tetraboride (FeB4) with experimental T-c similar to 2.4 K [H. Gou et al., Phys. Rev. Lett, 111, 157002 (2013)]. We prove that FeB4 is particularly prone to ferromagnetic spin fluctuations due to the presence of iron, resulting in a large Stoner interaction strength, I = 1.5 eV, as calculated from first principles. The other important factor is its Fermi surface that consists of three separate sheets, among which two are nested ellipsoids. The resulting susceptibility has a ferromagnetic peak around q = 0, from which we calculated the repulsive interaction between Cooper pair electrons using the random phase approximation. Subsequently, we combined the electron-phonon interaction calculated from first principles with the spin fluctuation interaction in fully anisotropic Eliashberg theory calculations. We show that the resulting superconducting gap spectrum is conventional, yet very strongly depleted due to coupling to the spin fluctuations. The critical temperature decreases from T-c = 41 K, if they are not taken into account, to T-c = 1.7 K, in good agreement with the experimental value.')); |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000419229100004 |
Publication Date |
2018-01-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
23 |
Open Access |
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Notes |
; This work was supported by TOPBOF-UAntwerp, Research Foundation Flanders (FWO), the Swedish Research Council (VR), and the Rontgen-Angstrom Cluster. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation Flanders (FWO) and the Flemish Government-department EWI. Anisotropic Eliashberg theory calculations were supported through the Swedish National Infrastructure for Computing (SNIC). ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:148447UA @ admin @ c:irua:148447 |
Serial |
4866 |
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Author |
Zhong, Z.; Aveyard, R.; Rieger, B.; Bals, S.; Palenstijn, W.J.; Batenburg, K.J. |
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Title |
Automatic correction of nonlinear damping effects in HAADF-STEM tomography for nanomaterials of discrete compositions |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
184 |
Issue |
184 |
Pages |
57-65 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
<script type='text/javascript'>document.write(unpmarked('HAADF-STEM tomography is a common technique for characterizing the three-dimensional morphology of nanomaterials. In conventional tomographic reconstruction algorithms, the image intensity is assumed to be a linear projection of a physical property of the specimen. However, this assumption of linearity is not completely valid due to the nonlinear damping of signal intensities. The nonlinear damping effects increase w.r.t the specimen thickness and lead to so-called \u0022cupping artifacts\u0022, due to a mismatch with the linear model used in the reconstruction algorithm. Moreover, nonlinear damping effects can strongly limit the applicability of advanced reconstruction approaches such as Total Variation Minimization and discrete tomography. In this paper, we propose an algorithm for automatically correcting the nonlinear effects and the subsequent cupping artifacts. It is applicable to samples in which chemical compositions can be segmented based on image gray levels. The correction is realized by iteratively estimating the nonlinear relationship between projection intensity and sample thickness, based on which the projections are linearized. The correction and reconstruction algorithms are tested on simulated and experimental data. (C) 2017 Elsevier B.V. All rights reserved.')); |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000417779800008 |
Publication Date |
2017-10-31 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
8 |
Open Access |
OpenAccess |
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Notes |
; This research is supported by the Dutch Technology Foundation STW (http:// www.stw.nl/), which is part of the Netherlands Organization for Scientific Research (NWO), and which is partly funded by the Ministry of Economic Affairs, Agriculture and Innovation under project number 13314. Funding from the European Research Council (Starting grant no. COLOURATOMS 335078) is acknowledged by S. Bals. The authors would like to thank Dr. Thomas Altantzis and Dr. Bart Goris for providing the experimental data, and Prof. Dr. Luis M. Liz-Marzan for providing the investigated samples. ; ecas_sara |
Approved |
Most recent IF: 2.843 |
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Call Number |
UA @ lucian @ c:irua:148501UA @ admin @ c:irua:148501 |
Serial |
4867 |
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Author |
Lane, T.L.M.; Andelkovic, M.; Wallbank, J.R.; Covaci, L.; Peeters, F.M.; Fal'ko, V.I. |
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Title |
Ballistic electron channels including weakly protected topological states in delaminated bilayer graphene |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
97 |
Issue |
4 |
Pages |
045301 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
<script type='text/javascript'>document.write(unpmarked('We show that delaminations in bilayer graphene (BLG) with electrostatically induced interlayer symmetry can provide one with ballistic channels for electrons with energies inside the electrostatically induced BLG gap. These channels are formed by a combination of valley-polarized evanescent states propagating along the delamination edges (which persist in the presence of a strong magnetic field) and standing waves bouncing between them inside the delaminated region (in a strong magnetic field, these transform into Landau levels in the monolayers). For inverted stackings in BLGs on the left and right of the delamination (AB-2ML-BA or BA-2ML-AB, where 2ML indicates two decoupled monolayers of graphene), the lowest-energy ballistic channels are gapless, have linear dispersion, and appear to be weakly topologically protected. When BLG stackings on both sides of the delamination are the same (AB-2ML-AB or BA-2ML-BA), the lowest-energy ballistic channels are gapped, with a gap epsilon(g) scaling as epsilon(g) alpha W-1 with delamination width and epsilon(g) alpha delta(-1) with the on-layer energy difference in the delaminated part of the structure. Depending on the width, delaminations may also support several \u0022higher-energy\u0022 waveguide modes. Our results are based on both the analytical study of the wave matching of Dirac states and tight-binding model calculations, and we analyze in detail the dependence of the delamination spectrum on the electrostatic conditions in the structure, such as the vertical displacement field.')); |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000419772200005 |
Publication Date |
2018-01-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
11 |
Open Access |
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Notes |
; This work was funded by EPSRC via EPSRC Grand Engineering Chellenges Grant No. EP/N010345, the Manchester NOWNANO CDT EP/L-1548X, the Flemish Science Foundation (FWO-VI), the European Graphene Flagship project, ERC Synergy grant Hetero2D, and FLAG-ERA project TRANS2DTMD. The authors would like to acknowledge useful discussions with M. Zarenia, S. Slizovskiy, E. McCann, and K. Novesolov. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:148441UA @ admin @ c:irua:148441 |
Serial |
4868 |
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Author |
Li, L.; Liao, Z.; Gauquelin, N.; Minh Duc Nguyen; Hueting, R.J.E.; Gravesteijn, D.J.; Lobato, I.; Houwman, E.P.; Lazar, S.; Verbeeck, J.; Koster, G.; Rijnders, G. |
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Title |
Epitaxial stress-free growth of high crystallinity ferroelectric PbZr0.52Ti0.48O3 on GaN/AlGaN/Si(111) substrate |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Advanced Materials Interfaces |
Abbreviated Journal |
Adv Mater Interfaces |
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Volume |
5 |
Issue |
2 |
Pages |
1700921 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
<script type='text/javascript'>document.write(unpmarked('Due to its physical properties gallium-nitride (GaN) is gaining a lot of attention as an emerging semiconductor material in the field of high-power and high-frequency electronics applications. Therefore, the improvement in the performance and/or perhaps even extension in functionality of GaN based devices would be highly desirable. The integration of ferroelectric materials such as lead-zirconate-titanate (PbZrxTi1-xO3) with GaN has a strong potential to offer such an improvement. However, the large lattice mismatch between PZT and GaN makes the epitaxial growth of Pb(Zr1-xTix)O-3 on GaN a formidable challenge. This work discusses a novel strain relaxation mechanism observed when MgO is used as a buffer layer, with thicknesses down to a single unit cell, inducing epitaxial growth of high crystallinity Pb(Zr0.52Ti0.48)O-3 (PZT) thin films. The epitaxial PZT films exhibit good ferroelectric properties, showing great promise for future GaN device applications.')); |
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Publisher |
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Wos |
000423173800005 |
Publication Date |
2017-11-27 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2196-7350 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.279 |
Times cited |
15 |
Open Access |
Not_Open_Access |
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Notes |
; L.L., Z.L.L., and N.G. contributed equally to this work. L.L. acknowledges financial support from Nano Next NL (Grant no. 7B 04). The authors acknowledge NXP for providing the GaN/AlGaN/Si (111) wafer. N.G. acknowledges funding from the Geconcentreerde Onderzoekacties (GOA) project “Solarpaint” of the University of Antwerp and J.V. acknowledges funding from the Research Foundation Flanders (FWO, Belgium) project 42/FA070100/6088 “nieuwe eigenschappen in complexe Oxides.” N.G. acknowledges the EUROTAPES project (FP7-NMP.2011.2.2-1 Grant no. 280432) which partly funded this study. ; |
Approved |
Most recent IF: 4.279 |
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Call Number |
UA @ lucian @ c:irua:148427UA @ admin @ c:irua:148427 |
Serial |
4872 |
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Author |
Alania, M.; Lobato Hoyos, I.P.; Van Aert, S. |
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Title |
Frozen lattice and absorptive model for high angle annular dark field scanning transmission electron microscopy : a comparison study in terms of integrated intensity and atomic column position measurement |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
184 |
Issue |
A |
Pages |
188-198 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
<script type='text/javascript'>document.write(unpmarked('In this paper, both the frozen lattice (FL) and the absorptive potential (AP) approximation models are compared in terms of the integrated intensity and the precision with which atomic columns can be located from an image acquired using high angle annular dark field (HAADF) scanning transmission electron microscopy (STEM). The comparison is made for atoms of Cu, Ag, and Au. The integrated intensity is computed for both an isolated atomic column and an atomic column inside an FCC structure. The precision has been computed using the so-called Cramer-Rao Lower Bound (CRLB), which provides a theoretical lower bound on the variance with which parameters can be estimated. It is shown that the AP model results into accurate measurements for the integrated intensity only for small detector ranges under relatively low angles and for small thicknesses. In terms of the attainable precision, both methods show similar results indicating picometer range precision under realistic experimental conditions. (C) 2017 Elsevier B.V. All rights reserved.')); |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000415650200022 |
Publication Date |
2017-09-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
; The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0374.13N, G.0369.15N, and G.0368.15N). A. Rosenauer is acknowledged for providing the STEMsim program. ; |
Approved |
Most recent IF: 2.843 |
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Call Number |
UA @ lucian @ c:irua:147658 |
Serial |
4877 |
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Author |
Jakovljevic, D.Z.; Grujic, M.M.; Tadic, M.Z.; Peeters, F.M. |
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Title |
Helical edge states in silicene and germanene nanorings in perpendicular magnetic field |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
30 |
Issue |
3 |
Pages |
035301 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
<script type='text/javascript'>document.write(unpmarked('Due to nonzero intrinsic spin-orbit interaction in buckled honeycomb crystal structures, silicene and germanene exhibit interesting topological properties, and are therefore candidates for the realization of the quantum spin Hall effect. We employ the Kane-Mele model to investigate the electron states in hexagonal silicene and germanene nanorings having either zigzag or armchair edges in the presence of a perpendicular magnetic field. We present results for the energy spectra as function of magnetic field, the electron density of the spin-up and spin-down states in the ring plane, and the calculation of the probability current density. The quantum spin Hall phase is found at the edges between the nontrivial topological phase in silicene and germanene and vacuum. We demonstrate that the helical edge states in zigzag silicene and germanene nanorings can be qualitatively well understood by means of classical magnetic moments. However, this is not the case for comparable-sized armchair nanorings, where the eigenfunctions spread throughout the ring. Finally, we note that the energy spectra of silicene and germanene nanorings are similar and that the differences between the two are mainly related to the difference in magnitude of the spin-orbit coupling.')); |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000418354400001 |
Publication Date |
2017-11-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
4 |
Open Access |
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Notes |
; This work was supported by Erasmus+ and the Serbian Ministry of Education, Science and Technological Development (Project No. III45003). ; |
Approved |
Most recent IF: 2.649 |
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Call Number |
UA @ lucian @ c:irua:148426UA @ admin @ c:irua:148426 |
Serial |
4878 |
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| Permanent link to this record |
