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Author |
Beckers, A.; Thewissen, M.; Sorée, B. |
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Title |
Energy filtering in silicon nanowires and nanosheets using a geometric superlattice and its use for steep-slope transistors |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
124 |
Issue |
14 |
Pages |
144304 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
This paper investigates energy filtering in silicon nanowires and nanosheets by resonant electron tunneling through a geometric superlattice. A geometric superlattice is any kind of periodic geometric feature along the transport direction of the nanowire or nanosheet. Multivalley quantum-transport simulations are used to demonstrate the manifestation of minibands and minibandgaps in the transmission spectra of such a superlattice. We find that the presence of different valleys in the conduction band of silicon favors a nanowire with a rectangular cross section for effective energy filtering. The obtained energy filter can consequently be used in the source extension of a field-effect transistor to prevent high-energy electrons from contributing to the leakage current. Self-consistent Schrodinger-Poisson simulations in the ballistic limit show minimum subthreshold swings of 6 mV/decade for geometric superlattices with indentations. The obtained theoretical performance metrics for the simulated devices are compared with conventional III-V superlatticeFETs and TunnelFETs. The adaptation of the quantum transmitting boundary method to the finite-element simulation of 3-D structures with anisotropic effective mass is presented in Appendixes A and B. Our results bare relevance in the search for steep-slope transistor alternatives which are compatible with the silicon industry and can overcome the power-consumption bottleneck inherent to standard CMOS technologies. Published by AIP Publishing. |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
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Wos |
000447148100011 |
Publication Date |
2018-10-11 |
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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 |
0021-8979; 1089-7550 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
3 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 2.068 |
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Call Number |
UA @ lucian @ c:irua:154729UA @ admin @ c:irua:154729 |
Serial |
5099 |
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Permanent link to this record |
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Author |
Lumbeeck, G.; Idrissi, H.; Amin-Ahmadi, B.; Favache, A.; Delmelle, R.; Samaee, V.; Proost, J.; Pardoen, T.; Schryvers, D. |
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Title |
Effect of hydriding induced defects on the small-scale plasticity mechanisms in nanocrystalline palladium thin films |
Type |
A1 Journal Article |
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Year |
2018 |
Publication |
Journal Of Applied Physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
124 |
Issue |
22 |
Pages |
225105 |
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Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
Nanoindentation tests performed on nanocrystalline palladium films subjected to hydriding/dehydriding cycles demonstrate a significant softening when compared to the as-received material. The origin of this softening is unraveled by combining in situ TEM nanomechanical testing with automated crystal orientation mapping in TEM and high resolution TEM. The softening is attributed to the presence of a high density of stacking faults and of Shockley partial dislocations after hydrogen loading. The hydrogen induced defects affect the elementary plasticity mechanisms and the mechanical response by acting as preferential sites for twinning/detwinning during deformation. These results are analyzed and compared to previous experimental and simulation works in the literature. This study provides new insights into the effect of hydrogen on the atomistic deformation and cracking mechanisms as well as on the mechanical properties of nanocrystalline thin films and membranes. |
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Wos |
000453254000025 |
Publication Date |
2018-12-14 |
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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 |
0021-8979 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
2 |
Open Access |
Not_Open_Access |
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Notes |
This work was supported by the Hercules Foundation under Grant No. AUHA13009, the Flemish Research Fund (FWO) under Grant No. G.0365.15N, and the Flemish Strategic Initiative for Materials (SIM) under the project InterPoCo. Dr. H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). We would like to thank Dr. Hadi Pirgazi from UGent for his technical support to process the ACOM data in the OIM Analysis software. |
Approved |
Most recent IF: 2.068 |
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Call Number |
EMAT @ emat @c:irua:155742 |
Serial |
5135 |
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Permanent link to this record |
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Author |
Verreck, D.; Verhulst, A.S.; Van de Put, M.L.; Sorée, B.; Magnus, W.; Collaert, N.; Mocuta, A.; Groeseneken, G. |
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Title |
Self-consistent procedure including envelope function normalization for full-zone Schrodinger-Poisson problems with transmitting boundary conditions |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
124 |
Issue |
20 |
Pages |
204501 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In the quantum mechanical simulation of exploratory semiconductor devices, continuum methods based on a k.p/envelope function model have the potential to significantly reduce the computational burden compared to prevalent atomistic methods. However, full-zone k.p/envelope function simulation approaches are scarce and existing implementations are not self-consistent with the calculation of the electrostatic potential due to the lack of a stable procedure and a proper normalization of the multi-band envelope functions. Here, we therefore present a self-consistent procedure based on a full-zone spectral k.p/envelope function band structure model. First, we develop a proper normalization for the multi-band envelope functions in the presence of transmitting boundary conditions. This enables the calculation of the free carrier densities. Next, we construct a procedure to obtain self-consistency of the carrier densities with the electrostatic potential. This procedure is stabilized with an adaptive scheme that relies on the solution of Poisson's equation in the Gummel form, combined with successive underrelaxation. Finally, we apply our procedure to homostructure In0.53Ga0.47As tunnel field-effect transistors (TFETs) and staggered heterostructure GaAs0.5Sb0.5/In0.53Ga0.47As TFETs and show the importance of self-consistency on the device predictions for scaled dimensions. Published by AIP Publishing. |
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Wos |
000451743900015 |
Publication Date |
2018-11-30 |
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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 |
0021-8979; 1089-7550 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
1 |
Open Access |
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Notes |
; This work was supported by imec's Industrial Affiliation Program. ; |
Approved |
Most recent IF: 2.068 |
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Call Number |
UA @ admin @ c:irua:156291 |
Serial |
5228 |
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Permanent link to this record |
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Author |
Abakumov, M.A.; Semkina, A.S.; Skorikov, A.S.; Vishnevskiy, D.A.; Ivanova, A.V.; Mironova, E.; Davydova, G.A.; Majouga, A.G.; Chekhonin, V.P. |
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Title |
Toxicity of iron oxide nanoparticles : size and coating effects |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of biochemical and molecular toxicology |
Abbreviated Journal |
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Volume |
32 |
Issue |
12 |
Pages |
e22225 |
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Keywords |
A1 Journal article; Pharmacology. Therapy; Electron microscopy for materials research (EMAT) |
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Abstract |
Toxicological research of novel nanomaterials is a major developmental step of their clinical approval. Since iron oxide magnetic nanoparticles have a great potential in cancer treatment and diagnostics, the investigation of their toxic properties is very topical. In this paper we synthesized bovine serum albumin-coated iron oxide nanoparticles with different sizes and their polyethylene glycol derivative. To prove high biocompatibility of obtained nanoparticles the number of in vitro toxicological tests on human fibroblasts and U251 glioblastoma cells was performed. It was shown that albumin nanoparticles' coating provides a stable and biocompatible shell and prevents cytotoxicity of magnetite core. On long exposure times (48 hours), cytotoxicity of iron oxide nanoparticles takes place due to free radical production, but this toxic effect may be neutralized by using polyethylene glycol modification. |
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Wos |
000452532300008 |
Publication Date |
2018-10-06 |
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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 |
1095-6670 |
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:156269 |
Serial |
8684 |
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Permanent link to this record |
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Author |
Sóti, V.; Lenaerts, S.; Cornet, I. |
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Title |
Of enzyme use in cost-effective high solid simultaneous saccharification and fermentation processes |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of biotechnology |
Abbreviated Journal |
J Biotechnol |
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Volume |
270 |
Issue |
270 |
Pages |
70-76 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Biochemical Wastewater Valorization & Engineering (BioWaVE) |
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Abstract |
Enzyme cost is considered to be one of the most significant factors defining the final product price in lignocellulose hydrolysis and fermentation. Enzyme immobilization and recycling can be a tool to decrease costs. However, high solid loading is a key factor towards high product titers, and recovery of immobilized enzymes from this thick liquid is often overlooked. This paper aims to evaluate the economic feasibility of immobilized enzymes in simultaneous saccharification and fermentation (SSF) of lignocellulose biomass in general, as well as the recuperation of magnetic immobilized enzymes (m-CLEAs) during high solid loading in simultaneous saccharification, detoxification and fermentation processes (SSDF) of lignocellulose biomass. Enzyme prices were obtained from general cost estimations by Klein-Marcuschamer et al. [Klein-Marcuschamer et al. (2012) Biotechnol. Bioeng. 109, 10831087]. During enzyme cost analysis, the influence of inoculum recirculation as well as a shortened fermentation time was explored. Both resulted in 15% decrease of final enzyme product price. Enzyme recuperation was investigated experimentally and 99.5 m/m% of m-CLEAs was recovered from liquid medium in one step, while 88 m/m% could still be recycled from a thick liquid with high solid concentrations (SSF fermentation broth). A mathematical model was constructed to calculate the cost of immobilized and free enzyme utilization and showed that, with current process efficiencies and commercial enzyme prices, the cost reduction obtained by enzyme immobilization can reach around 60% compared to free enzyme utilization, while lower enzyme prices will result in a lower percentage of immobilization related savings, but overall enzyme costs will decrease significantly. These results are applied in a case study, estimating the viability of shifting from sugar to lignocellulose substrate for a 100 t lactic acid fermentation batch. It was concluded that it will only be economically feasible if the enzymes are produced at the most optimistic variable cost and either the activity of the immobilized catalyst or the recovery efficiency is further increased. |
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Wos |
000427556400009 |
Publication Date |
2018-02-08 |
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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 |
0168-1656 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.599 |
Times cited |
6 |
Open Access |
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Notes |
; This research is financed by the University of Antwerp [project number 15 FA100 002]. ; |
Approved |
Most recent IF: 2.599 |
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Call Number |
UA @ admin @ c:irua:149006 |
Serial |
5974 |
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Permanent link to this record |
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Author |
Moretti, M.; Van Dael, M.; Malina, R.; Van Passel, S. |
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Title |
Environmental assessment of waste feedstock mono-dimensional and bio-refinery systems : combining manure co-digestion and municipal waste anaerobic digestion |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal Of Cleaner Production |
Abbreviated Journal |
J Clean Prod |
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Volume |
171 |
Issue |
171 |
Pages |
954-961 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
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Abstract |
Organic municipal solid waste (OMSW) as a feedstock for energy recovery and material recycling offers the potential to reduce environmental impacts from energy production while displacing emission intensive waste management strategies such as landfills. This paper quantifies the environmental impact of anaerobic digestion of local, residual biomass. A life-cycle assessment was jointly performed for two scenarios for the biological treatment of local organic municipal solid waste and pig manure in the Netherlands. Scenario 1 was a separate treatment using anaerobic digestion, and Scenario 2 was a bio-refinery system that integrates anaerobic digestion of organic, municipal solid waste, and co digestion of pig manure and other organic co-substrates \. For both scenarios, electricity and heat are generated using a combined heat and power engine. The bio-refinery system (Scenario 2) contribution to climate change resulted in 0.16 Mt CO2 eq./yr, which is lower than the 0.17 Mt CO2 eq./yr of Scenario 1. Both scenarios are found to be beneficial with regard to resource depletion and human toxicity. The integration of organic waste and manure anaerobic digestion has no effect on acidification and terrestrial eutrophication impact categories, resulting in 43.59 AE eq. and 86.33 AE eq. for Scenario 1 and 43.58 AE eq. and 86.30 AE eq. for Scenario 2. Moreover, Scenario 2 yields 18% lower emissions than those from natural gas derived electricity in the Netherlands. The biorefinery system represents an opportunity to improve organic waste-management strategies, at the same time as reducing the environmental impact from energy production and the costs for surplus manure disposal by producing high-quality commodities that can be traded on the market. (C) 2017 Elsevier Ltd. All rights reserved. |
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Wos |
000418978100085 |
Publication Date |
2017-10-13 |
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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 |
0959-6526 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.715 |
Times cited |
12 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 5.715 |
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Call Number |
UA @ admin @ c:irua:148444 |
Serial |
6199 |
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Permanent link to this record |
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Author |
Berthelot, A.; Bogaerts, A. |
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Title |
Pinpointing energy losses in CO 2 plasmas – Effect on CO 2 conversion |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of CO2 utilization |
Abbreviated Journal |
J Co2 Util |
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Volume |
24 |
Issue |
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Pages |
479-499 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Plasma technology is gaining increasing interest for CO2 conversion, but to maximize the energy efficiency, it is important to track the different energy transfers taking place in the plasma. In this paper, we study these mechanisms by a 0D chemical kinetics model, including the vibrational kinetics, for different conditions of reduced electric field, gas temperature and ionization degree, at a pressure of 100 mbar. Our model predicts a maximum conversion and energy efficiency of 32% and 47%, respectively, at conditions that are particularly beneficial for energy efficient CO2 conversion, i.e. a low reduced electric field (10 Td) and a low gas temperature (300 K). We study the effect of the efficiency by which the vibrational energy is used to dissociate CO2, as well as of the activation energy of the reaction CO2+O→CO+O2, to elucidate the theoretical limitations to the energy
efficiency. Our model reveals that these parameters are mainly responsible for the limitations in the energy efficiency. By varying these parameters, we can reach a maximum conversion and energy efficiency of 86%. Finally, we derive an empirical formula to estimate the maximum possible energy efficiency that can be reached under the assumptions of the model. |
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Wos |
000428234500054 |
Publication Date |
2018-03-15 |
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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 |
2212-9820 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.292 |
Times cited |
6 |
Open Access |
Not_Open_Access: Available from 16.03.2020
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Notes |
We acknowledge financial support from the European Union's Seventh Framework Program for research, technological development and demonstration under grant agreement no. 606889. The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. We would also like to thank Prof. Richard van de Sanden (DIFFER) for the interesting talks. |
Approved |
Most recent IF: 4.292 |
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Call Number |
PLASMANT @ plasmant @c:irua:149645 |
Serial |
4912 |
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Permanent link to this record |
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Author |
Belov, I.; Vermeiren, V.; Paulussen, S.; Bogaerts, A. |
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Title |
Carbon dioxide dissociation in a microwave plasma reactor operating in a wide pressure range and different gas inlet configurations |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of CO2 utilization |
Abbreviated Journal |
J Co2 Util |
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Volume |
24 |
Issue |
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Pages |
386-397 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Microwave (MW) plasmas represent a promising solution for efficient CO2 dissociation. MW discharges are also very versatile and can be sustained at various pressure and gas flow regimes. To identify the most favorable conditions for the further scale-up of the CO2 decomposition reaction, a MW plasma reactor operating in pure CO2 in a wide pressure range (200 mbar–1 bar) is studied. Three different gas flow configurations are explored: a direct, reverse and a vortex regime. The CO2 conversion and energy efficiency drop almost linearly with increasing pressure, regardless of the gas flow regime. The results obtained in the direct flow configuration underline the importance of post-discharge cooling, as the exhaust of the MW plasma reactor in this regime expanded into the vacuum chamber without additional quenching. As a result, this system yields exhaust temperatures of up to 1000 K, which explains the lowest conversion (∼3.5% at 200 mbar and 2% at 1 bar). A post-discharge cooling step is introduced for the reverse gas inlet regime and allows the highest conversion to be achieved (∼38% at 200 mbar and 6.2% at 1 bar, with energy efficiencies of 23% and 3.7%). Finally, a tangential gas inlet is utilized in the vortex configuration to generate a swirl flow pattern. This results in the generation of a stable discharge in a broader range of CO2 flows (15–30 SLM) and the highest energy efficiencies obtained in this study (∼25% at 300 mbar and ∼13% at 1 bar, at conversions of 21% and 12%). The experimental results are complemented with computational fluid dynamics simulations and with the analysis of the latest literature to identify the further research directions. |
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Wos |
000428234500045 |
Publication Date |
2018-03-15 |
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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 |
2212-9820 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.292 |
Times cited |
8 |
Open Access |
Not_Open_Access: Available from 16.03.2020
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Notes |
The research leading to these results has received funding from the European Union Seventh Framework Programme (FP7-PEOPLE-2013- ITN) under Grant Agreement№606889 (R |
Approved |
Most recent IF: 4.292 |
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Call Number |
PLASMANT @ plasmant @c:irua:150874 |
Serial |
4955 |
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Permanent link to this record |
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Author |
Lan Thanh Nguyen; Anh Pham Hoai Nguyen; Van Passel, S.; Azadi, H.; Lebailly, P. |
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Title |
Access to preferential loans for poverty reduction and rural development : evidence from Vietnam |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal Of Economic Issues |
Abbreviated Journal |
J Econ Issues |
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Volume |
52 |
Issue |
1 |
Pages |
246-269 |
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Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
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Abstract |
Preferential loans play an important role in the process of reducing poverty in developing countries. Considering the data set from the 2010 Vietnam Household Living Standards Survey, we aim to examine the influential factors in probability of households getting access to preferential loans. Additionally, we analyze the determinants of household income in association with the loans by applying a quantile regression model. Our results show that ethnicity-related factors have the largest marginal effect on the access to preferential loans. The results from the quantile regression model demonstrate that the debt factor has a deeper impact on the borrowing group at the lower quantiles of household income. |
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Wos |
000426925300012 |
Publication Date |
2018-12-05 |
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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 |
0021-3624 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
0.581 |
Times cited |
3 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 0.581 |
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Call Number |
UA @ admin @ c:irua:150919 |
Serial |
6146 |
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Permanent link to this record |
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Author |
Fatemi, M.; Azadi, H.; Rafiaani, P.; Taheri, F.; Dubois, T.; Van Passel, S.; Witlox, F. |
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Title |
Effects of supply chain management on tomato export in Iran : application of structural equation modeling |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of food products marketing |
Abbreviated Journal |
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Volume |
24 |
Issue |
2 |
Pages |
177-195 |
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Keywords |
A1 Journal article; Economics; Engineering Management (ENM); Government and Law |
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Abstract |
Although Iran is one of the top 10 countries in the world that produce tomatoes, the level that they are exported into the global market is low. This issue may have resulted from a major problem within tomatoes supply chain management. This paper aims to develop an empirical model of the supply chain management (SCM) of tomato companies. Throughout the reviewed literature, a SCM construct with different six indicators has been developed, including information sharing, long-term relationship, cooperation, quality, flexibility, and delivery. In this study, the influence of the SCM components on tomato export was identified through the use of empirical data that were collected from 20 different tomato companies in Northeast Iran. Using structural equation modeling, the major elements of SCM were found to have significant impacts on the export of tomatoes. The results also showed that information sharing, cooperation, flexibility, quality, and delivery had significant positive effects on the export of tomatoes. |
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Wos |
000424803000004 |
Publication Date |
2017-03-06 |
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Abbreviated Series Title |
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Series Volume |
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Edition |
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ISSN |
1045-4446 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
2 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:149044 |
Serial |
6192 |
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Permanent link to this record |
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Author |
Vanraes, P.; Wardenier, N.; Surmont, P.; Lynen, F.; Nikiforov, A.; Van Hulle, S.W.H.; Leys, C.; Bogaerts, A. |
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Title |
Removal of alachlor, diuron and isoproturon in water in a falling film dielectric barrier discharge (DBD) reactor combined with adsorption on activated carbon textile: Reaction mechanisms and oxidation by-products |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
J Hazard Mater |
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Volume |
354 |
Issue |
|
Pages |
180-190 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
A falling film dielectric barrier discharge (DBD) plasma reactor combined with adsorption on activated carbon textile material was optimized to minimize the formation of hazardous oxidation by-products from the treatment of persistent pesticides (alachlor, diuron and isoproturon) in water. The formation of by-products and the reaction mechanism was investigated by HPLC-TOF-MS. The maximum concentration of each by-product was at least two orders of magnitude below the initial pesticide concentration, during the first 10 min of treatment. After 30 min of treatment, the individual by-product concentrations had decreased to values of at least three orders of magnitude below the initial pesticide concentration. The proposed oxidation pathways revealed five main oxidation steps: dechlorination, dealkylation, hydroxylation, addition of a double-bonded oxygen and nitrification. The latter is one of the main oxidation mechanisms of diuron and isoproturon for air plasma treatment. To our knowledge, this is the first time that the formation of nitrificated intermediates is reported for the plasma treatment of non-phenolic compounds. |
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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 |
000437814600021 |
Publication Date |
2018-05-03 |
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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 |
0304-3894 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.065 |
Times cited |
4 |
Open Access |
Not_Open_Access: Available from 04.05.2020
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Notes |
This research did not receive any specific grant from funding agencies in the public, commercial, or not-for-profit sectors. The authors would like to thank Carbon Cloth Division for Zorflex® samples and personally thank Jack Taylor for fruitful discussion of active carbon water treatment processes |
Approved |
Most recent IF: 6.065 |
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Call Number |
PLASMANT @ plasmant @c:irua:152179 |
Serial |
4989 |
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Permanent link to this record |
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Author |
Leus, K.; Folens, K.; Nicomel, N.R.; Perez, J.P.H.; Filippousi, M.; Meledina, M.; Dirtu, M.M.; Turner, S.; Van Tendeloo, G.; Garcia, Y.; Du Laing, G.; Van Der Voort, P. |
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Title |
Removal of arsenic and mercury species from water by covalent triazine framework encapsulated \gamma-Fe2O3 nanoparticles |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
J Hazard Mater |
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Volume |
353 |
Issue |
353 |
Pages |
312-319 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The covalent triazine framework, CTF-1, served as host material for the in situ synthesis of Fe2O3 nanoparticles. The composite material consisted of 20 +/- 2 m% iron, mainly in gamma-Fe2O3 phase. The resulting gamma-Fe2O3@CTF-1 was examined for the adsorption of As-III, As-V and H-II from synthetic solutions and real surface-, ground- and wastewater. The material shows excellent removal efficiencies, independent from the presence of Ca2+, Mg2+ or natural organic matter and only limited dependency on the presence of phosphate ions. Its adsorption capacity towards arsenite (198.0 mg g(-1)), arsenate (102.3 mg g(-1)) and divalent mercury (165.8 mg g(-1)) belongs amongst the best-known adsorbents, including many other iron-based materials. Regeneration of the adsorbent can be achieved for use over multiple cycles without a decrease in performance by elution at 70 degrees C with 0.1 M NaOH, followed by a stirring step in a 5 m% H2O2 solution for As or 0.1 M thiourea and 0.001 M HCl for Hg. In highly contaminated water (100 mu gL(-1)), the adsorbent polishes the water quality to well below the current WHO limits. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000438002800035 |
Publication Date |
2018-04-16 |
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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 |
0304-3894 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.065 |
Times cited |
22 |
Open Access |
OpenAccess |
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Notes |
; Karen Leus acknowledges financial support from Ghent University. Nina Ricci Nicomel and Jeffrey Paulo H. Perez thank the funding of the VLIR-UOS. Marinela M. Dirtu acknowledges F.R.S.-FNRS for a Charge de recherches position. Stuart Turner gratefully acknowledges the FWO Vlaanderen for a post-doctoral scholarship. The Titan microscope used for this investigation was partially funded by the Hercules foundation of the Flemish government. This work was supported by the Belgian IAP-PAI network. ; |
Approved |
Most recent IF: 6.065 |
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Call Number |
UA @ lucian @ c:irua:152430 |
Serial |
5124 |
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Permanent link to this record |
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Author |
Gebrehiwot, N.T.; Azadi, H.; Taheri, F.; Van Passel, S. |
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Title |
How participation in vegetables market affects livelihoods : empirical evidence from Northern Ethiopia |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of international food and agribusiness marketing |
Abbreviated Journal |
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Volume |
30 |
Issue |
2 |
Pages |
107-131 |
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Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
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Abstract |
Vegetable farmers face a number of challenges in marketing. Having first-hand information about vegetable marketing is essential to devise appropriate strategies aimed at enhancing the value of the vegetable chain. It was in line with this view that the study was conducted to characterize vegetable markets in Northern Ethiopia. In an effort to identify the factors influencing vegetable marketing among farmers, data were collected from 283 farm households who were selected using stratified random sampling. Furthermore, the data were triangulated through focus group discussion (FGD) and key informant interviews. Descriptive statistics and the binary logistic regression model were used to identify the variables and test the probability of their influence in regard to farmers decisions in vegetable marketing. From the 13 explanatory variables included in the binary logistic regression model, six predictors were found to be statistically significant in determining the effects of participation decision on vegetable market. These variables are as follows: household family size, total land holding of the household, amount of vegetable produced and marketed, use of irrigation technologies, contact with extension agents, and access to market information. Relying on a survey result and observations, the findings of the study indicated that vegetable marketing is significantly improving the livelihood of smallholder producers. |
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Corporate Author |
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Place of Publication |
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Wos |
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Publication Date |
2017-12-01 |
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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 |
0897-4438 |
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 |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:154141 |
Serial |
6210 |
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Permanent link to this record |
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Author |
Aierken, Y.; Sevik, C.; Gulseren, O.; Peeters, F.M.; Çakir, D. |
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Title |
MXenes/graphene heterostructures for Li battery applications : a first principles study |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of materials chemistry A : materials for energy and sustainability |
Abbreviated Journal |
J Mater Chem A |
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Volume |
6 |
Issue |
5 |
Pages |
2337-2345 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
MXenes are the newest class of two-dimensional (2D) materials, and they offer great potential in a wide range of applications including electronic devices, sensors, and thermoelectric and energy storage materials. In this work, we combined the outstanding electrical conductivity, that is essential for battery applications, of graphene with MXene monolayers (M2CX2 where M = Sc, Ti, V and X = OH, O) to explore its potential in Li battery applications. Through first principles calculations, we determined the stable stacking configurations of M2CX2/graphene bilayer heterostructures and their Li atom intercalation by calculating the Li binding energy, diffusion barrier and voltage. We found that: (1) for the ground state stacking, the interlayer binding is strong, yet the interlayer friction is small; (2) Li binds more strongly to the O-terminated monolayer, bilayer and heterostructure MXene systems when compared with the OHterminated MXenes due to the H+ induced repulsion to the Li atoms. The binding energy of Li decreases as the Li concentration increases due to enhanced repulsive interaction between the positively charged Li ions; (3) Ti2CO2/graphene and V2CO2/graphene heterostructures exhibit large Li atom binding energies making them the most promising candidates for battery applications. When fully loaded with Li atoms, the binding energy is -1.43 eV per Li atom and -1.78 eV per Li atom for Ti2CO2/graphene and V2CO2/graphene, respectively. These two heterostructures exhibit a nice compromise between storage capacity and kinetics. For example, the diffusion barrier of Li in Ti2CO2/graphene is around 0.3 eV which is comparable to that of graphite. Additionally, the calculated average voltages are 1.49 V and 1.93 V for Ti2CO2/graphene and V2CO2/graphene structures, respectively; (4) a small change in the in-plane lattice parameters (<1%), interatomic bond lengths and interlayer distances (<0.5 angstrom) proves the stability of the heterostructures against Li intercalation, and the impending phase separation into constituent layers and capacity fading during charge-discharge cycles in real battery applications; (5) as compared to bare M2CX2 bilayers, M2CX2/graphene heterostructures have lower molecular mass, offering high storage capacity; (6) the presence of graphene ensures good electrical conductivity that is essential for battery applications. Given these advantages, Ti2CO2/graphene and V2CO2/graphene heterostructures are predicted to be promising for lithium-ion battery applications. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000423981200049 |
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 |
2050-7488; 2050-7496 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.867 |
Times cited |
131 |
Open Access |
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Notes |
; This work was supported by the bilateral project between the Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by the TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. We acknowledge the support from the TUBITAK (Grant No. 115F024 and 116F080). Part of this work was supported by the BAGEP Award of the Science Academy. ; |
Approved |
Most recent IF: 8.867 |
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Call Number |
UA @ lucian @ c:irua:149265UA @ admin @ c:irua:149265 |
Serial |
4945 |
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Permanent link to this record |
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Author |
Heyne, M.H.; de Marneffe, J.-F.; Nuytten, T.; Meersschaut, J.; Conard, T.; Caymax, M.; Radu, I.; Delabie, A.; Neyts, E.C.; De Gendt, S. |
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Title |
The conversion mechanism of amorphous silicon to stoichiometric WS2 |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
J Mater Chem C |
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Volume |
6 |
Issue |
15 |
Pages |
4122-4130 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The deposition of ultra-thin tungsten films and their related 2D chalcogen compounds on large area dielectric substrates by gas phase reactions is challenging. The lack of nucleation sites complicates the adsorption of W-related precursors and subsequent sulfurization usually requires high temperatures. We propose here a technique in which a thin solid amorphous silicon film is used as reductant for the gas phase precursor WF6 leading to the conversion to metallic W. The selectivity of the W conversion towards the underlying dielectric surfaces is demonstrated. The role of the Si surface preparation, the conversion temperature, and Si thickness on the formation process is investigated. Further, the in situ conversion of the metallic tungsten into thin stoichiometric WS2 is achieved by a cyclic approach based on WF6 and H2S pulses at the moderate temperature of 450 1C, which is much lower than usual oxide sulfurization processes. |
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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 |
000430538000036 |
Publication Date |
2018-03-20 |
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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 |
2050-7526 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.256 |
Times cited |
4 |
Open Access |
OpenAccess |
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Notes |
This work was supported throughout a strategic fundamental research grant for M. H. by the agency Flanders innovation & entrepreneurship (VLAIO). |
Approved |
Most recent IF: 5.256 |
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Call Number |
PLASMANT @ plasmant @c:irua:150968 |
Serial |
4921 |
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Permanent link to this record |
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Author |
Iyikanat, F.; Yagmurcukardes, M.; Senger, R.T.; Sahin, H. |
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Title |
Tuning electronic and magnetic properties of monolayer \alpha-RuCl3 by in-plane strain |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
J Mater Chem C |
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Volume |
6 |
Issue |
8 |
Pages |
2019-2025 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
By employing density functional theory-based methods, the structural, vibrational, electronic, and magnetic properties of monolayer -RuCl3 were investigated. It was demonstrated that ferromagnetic (FM) and zigzag-antiferromagnetic (ZZ-AFM) spin orders in the material have very close total energies with the latter being the ground state. We found that each Ru atom possesses a magnetic moment of 0.9 (B) and the material exhibits strong magnetic anisotropy. While both phases exhibit indirect gaps, the FM phase is a magnetic semiconductor and the ZZ-AFM phase is a non-magnetic semiconductor. The structural stability of the material was confirmed by phonon calculations. Moreover, dynamical analysis revealed that the magnetic order in the material can be monitored via Raman measurements of the crystal structure. In addition, the magnetic ground state of the material changes from ZZ-AFM to FM upon certain applied strains. Valence and conduction band-edges of the material vary considerably under in-plane strains. Owing to the stable lattice structure and unique and controllable magnetic properties, monolayer -RuCl3 is a promising material in nanoscale device applications. |
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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 |
000426483800015 |
Publication Date |
2018-01-22 |
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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 |
2050-7526; 2050-7534 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.256 |
Times cited |
16 |
Open Access |
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Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. S. acknowledges financial support from TUBITAK under project number 116C073. H. S. also acknowledges support from Bilim Akademisi-The Science Academy, Turkey, under the BAGEP program. ; |
Approved |
Most recent IF: 5.256 |
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Call Number |
UA @ lucian @ c:irua:149900UA @ admin @ c:irua:149900 |
Serial |
4952 |
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Permanent link to this record |
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Author |
Volykhov, A.A.; Sanchez-Barriga, J.; Batuk, M.; Callaert, C.; Hadermann, J.; Sirotina, A.P.; Neudachina, V.S.; Belova, A.I.; Vladimirova, N.V.; Tamm, M.E.; Khmelevsky, N.O.; Escudero, C.; Perez-Dieste, V.; Knop-Gericke, A.; Yashina, L.V. |
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Title |
Can surface reactivity of mixed crystals be predicted from their counterparts? A case study of (Bi1-xSbx)2Te3 topological insulators |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
J Mater Chem C |
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Volume |
6 |
Issue |
33 |
Pages |
8941-8949 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The behavior of ternary mixed crystals or solid solutions and its correlation with the properties of their binary constituents is of fundamental interest. Due to their unique potential for application in future information technology, mixed crystals of topological insulators with the spin-locked, gapless states on their surfaces attract huge attention of physicists, chemists and material scientists. (Bi1-xSbx)(2)Te-3 solid solutions are among the best candidates for spintronic applications since the bulk carrier concentration can be tuned by varying x to obtain truly bulk-insulating samples, where the topological surface states largely contribute to the transport and the realization of the surface quantum Hall effect. As this ternary compound will be evidently used in the form of thin-film devices its chemical stability is an important practical issue. Based on the atomic resolution HAADF-TEM and EDX data together with the XPS results obtained both ex situ and in situ, we propose an atomistic picture of the mixed crystal reactivity compared to that of its binary constituents. We find that the surface reactivity is determined by the probability of oxygen attack on the Te-Sb bonds, which is directly proportional to the number of Te atoms bonded to at least one Sb atom. The oxidation mechanism includes formation of an amorphous antimony oxide at the very surface due to Sb diffusion from the first two quintuple layers, electron tunneling from the Fermi level of the crystal to oxygen, oxygen ion diffusion to the crystal, and finally, slow Te oxidation to the +4 oxidation state. The oxide layer thickness is limited by the electron transport, and the overall process resembles the Cabrera-Mott mechanism in metals. These observations are critical not only for current understanding of the chemical reactivity of complex crystals, but also to improve the performance of future spintronic devices based on topological materials. |
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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 |
000443279300007 |
Publication Date |
2018-07-20 |
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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 |
2050-7526; 2050-7534 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.256 |
Times cited |
3 |
Open Access |
Not_Open_Access |
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Notes |
; The authors acknowledge financial support within the bilateral program "Russian-German Laboratory at BESSY II''. We thank Helmholtz-Zentrum Berlin for granting access to the beamlines RGBL, UE112-PGM2a and ISISS. Support of ALBA staff during measurements at the CIRCE beamline is gratefully acknowledged. We thank Dr Ivan Bobrikov for support in the XRD measurements and Daria Tsukanova for the participation in crystal preparation and XPS measurements. A. Volykhov thanks RSF (grant 18-73-00248) for financial support. A. I. Belova acknowledges support from the G-RISC Centre of Excellence. The work was supported by Helmholtz Gemeinschaft (Grant No. HRJRG-408) and RFBR (grant 14-03-31518). J. H. and C. C. acknowledge support from the University of Antwerp through the BOF grant 31445. ; |
Approved |
Most recent IF: 5.256 |
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Call Number |
UA @ lucian @ c:irua:153647 |
Serial |
5080 |
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Permanent link to this record |
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Author |
Van Goethem, C.; Verbeke, R.; Pfanmoeller, M.; Koschine, T.; Dickmann, M.; Timpel-Lindner, T.; Egger, W.; Bals, S.; Vankelecom, I.F.J. |
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Title |
The role of MOFs in Thin-Film Nanocomposite (TFN) membranes |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of membrane science |
Abbreviated Journal |
J Membrane Sci |
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Volume |
563 |
Issue |
563 |
Pages |
938-948 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Incorporation of MOFs in interfacially polymerized Thin-Film Nanocomposite (TFN) membranes has widely been shown to result in increased membrane performance. However, the exact functioning of these membranes is poorly understood as large variability in permeance increase, filler incorporation and rejection changes can be observed in literature. The synthesis and functioning of TFN membranes (herein exemplified by ZIF-8 filled polyamide (PA) membranes prepared via the EFP method) was investigated via targeted membrane synthesis and thorough characterization via STEM-EDX, XRD and PALS. It is hypothesized that the acid generated during the interfacial polymerization (IP) at least partially degrades the crystalline, acid-sensitive ZIF-8 and that this influences the membrane formation (through so-called secondary effects, i.e. not strictly linked to the pore morphology of the MOF). Nanoscale HAADF-STEM imaging and STEM-EDX Zn-mapping revealed no ZIF-8 particles but rather the presence of randomly shaped regions with elevated Zn-content. Also XRD failed to show the presence of crystalline areas in the composite PA films. As the addition of the acid-quenching TEA led to an increase in the diffraction signal observed in XRD, the role of the acid was confirmed. The separate addition of dissolved Zn2+ to the synthesis of regular TFC membranes showed an increase in permeance while losing some salt retention, similar to observations regularly made for TFN membranes. While the addition of a porous material to a TFC membrane is a straightforward concept, all obtained results indicate that the synthesis and performance of such composite membranes is often more complex than commonly accepted. |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000441897200099 |
Publication Date |
2018-06-22 |
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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 |
0376-7388 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.035 |
Times cited |
84 |
Open Access |
OpenAccess |
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Notes |
; C.V.G. and R.V. kindly acknowledge respectively the Flemish Agency for Innovation through Science and Technology (IWT) (IWT, 141697) and the Flemish Fund for Scientific Research (FWO, 1500917N) for a PhD scholarship. The authors kindly acknowledge funding from KU Leuven through C16/17/005 and from the Belgian Federal Government through IAP 6/27 Functional Supramolecular systems. S.B. and M.P. acknowledge financial support from the European Research Council (ERC Starting Grant #335078-COLOURATOM). M.P. acknowledges funding from the European Union (ESTEEM2, No. 312483) and the HEiKA centre FunTECH-3D (Ministry of Science, Research and Art Baden-Wurttemberg, AZ: 33-753-30-20/3/3). The MLZ-Garching is kindly acknowledged for providing access to the NEPOMUC facilities (project no 11541). ; ecas_sara |
Approved |
Most recent IF: 6.035 |
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Call Number |
UA @ lucian @ c:irua:153618UA @ admin @ c:irua:153618 |
Serial |
5132 |
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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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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 |
|
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 |
|
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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Permanent link to this record |
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Author |
Cautaerts, N.; Delville, R.; Stergar, E.; Schryvers, D.; Verwerft, M. |
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Title |
Tailoring the Ti-C nanoprecipitate population and microstructure of titanium stabilized austenitic steels |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of nuclear materials |
Abbreviated Journal |
J Nucl Mater |
|
|
Volume |
507 |
Issue |
507 |
Pages |
177-187 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The present work reports on the microstructural evolution of a new heat of 24% cold worked austenitic DIN 1.4970 (15-15Ti) nuclear cladding steel subjected to ageing heat treatments of varying duration between 500 and 800 degrees C (by steps of 100 degrees C). The primary aim was studying the finely dispersed Ti-C nanoprecipitate population, which are thought to be beneficial for creep and swelling resistance during service. Their size distribution and number density were estimated through dark field imaging and bright field Moire imaging techniques in the transmission electron microscope. Nanoprecipitates formed at and above 600 degrees C, which is a lower temperature than previously reported. The observed nucleation, growth and coarsening behavior of the nanoprecipitates were consistent with simple diffusion arguments. The formation of nanoprecipitates coincided with significant dissociation of dislocations as evidenced by weak beam dark field imaging. Possible mechanisms, including Silcock's stacking fault growth model and Suzuki segregation, are discussed. Recrystallization observed after extended ageing at 800 degrees C caused the redissolution of nanoprecipitates. Large primary Ti(C,N) and (Ti,Mo)C precipitates that occur in the as-received material, and M23C6 precipitates that nucleate on grain boundaries at low temperatures were also characterized by a selective dissolution procedure involving filtration, X-ray diffraction and quantitative Rietveld refinement. The partitioning of key elements between the different phases was derived by combining these findings and was consistent with thermodynamic considerations and the processing history of the steel. (C) 2018 Elsevier B.V. All rights reserved. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000438019800021 |
Publication Date |
2018-04-30 |
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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 |
|
Series Issue |
|
Edition |
|
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ISSN |
0022-3115 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.048 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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Notes |
; We would like to acknowledge ENGIE, SCK.CEN, the SCK.CEN academy and the MYRRHA project for the financial support of this work. Special thanks to T. Wangle and P. Dries for their help with filtration and gravimetry. Also thanks to Dr. G. Leinders for the discussions on XRD and Rietveld refinement. Thanks to E. Charalampopoulou and A. Youssef for assisting with the dissolution experiments. ; |
Approved |
Most recent IF: 2.048 |
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Call Number |
UA @ lucian @ c:irua:152382 |
Serial |
5043 |
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Permanent link to this record |
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Author |
Huygh, S.; Bogaerts, A.; Bal, K.M.; Neyts, E.C. |
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Title |
High Coke Resistance of a TiO2Anatase (001) Catalyst Surface during Dry Reforming of Methane |
Type |
A1 Journal Article |
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Year |
2018 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
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Volume |
122 |
Issue |
17 |
Pages |
9389-9396 |
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Keywords |
A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
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Abstract |
The resistance of a TiO2 anatase (001) surface to coke formation was studied in the context of dry reforming of methane using density functional theory (DFT) calculations. As carbon atoms act as precursors for coke formation, the resistance to coke formation can be measured by the carbon coverage of the surface. This is related to the stability of different CHx (x = 0−3) species and their rate of hydrogenation and dehydrogenation on the TiO2 surface. Therefore, we studied the reaction mechanisms and their corresponding rates as a function of the temperature for the dehydrogenation of the species on the surface. We found that the stabilities of C and CH are significantly lower than those of CH3 and CH2. The hydrogenation rates of the different species are significantly higher than the dehydrogenation rates in a temperature range of 300−1000 K. Furthermore, we found that dehydrogenation of CH3, CH2, and CH will only occur at appreciable rates starting from 600, 900, and 900 K, respectively. On the basis of these results, it is clear that the anatase (001) surface has a high coke resistance, and it is thus not likely that the surface will become poisoned by coke during dry reforming of methane. As the rate limiting step in dry reforming is the dissociative adsorption of CH4, we studied an alternative approach to thermal catalysis. We found that the temperature threshold for dry reforming is at least 700 K. This threshold temperature may be lowered by the use of plasma-catalysis, where the appreciable rates of adsorption of plasma-generated CHx radicals result in bypassing the rate limiting step of the reaction. |
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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 |
000431723700014 |
Publication Date |
2018-05-03 |
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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 |
1 |
Open Access |
OpenAccess |
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Notes |
Federaal Wetenschapsbeleid, IAP/7 ; Fonds Wetenschappelijk Onderzoek, G.0217.14N ; Onderzoeksfonds, Universiteit Antwerpen, 32249 ; |
Approved |
Most recent IF: 4.536 |
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Call Number |
PLASMANT @ plasmant @c:irua:151529c:irua:152816 |
Serial |
5000 |
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Permanent link to this record |
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Author |
Vermeiren, V.; Bogaerts, A. |
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Title |
Supersonic Microwave Plasma: Potential and Limitations for Energy-Efficient CO2Conversion |
Type |
A1 Journal Article |
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Year |
2018 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
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Volume |
122 |
Issue |
45 |
Pages |
25869-25881 |
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Keywords |
A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
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Abstract |
Supersonic flows provide a high thermodynamic
nonequilibrium, which is crucial for energy-efficient conversion of
CO 2 in microwave plasmas and are therefore of great interest.
However, the effect of the flow on the chemical reactions is poorly
understood. In this work, we present a combined flow and plasma
chemical kinetics model of a microwave CO 2 plasma in a Laval
nozzle setup. The effects of the flow field on the different dissociation
and recombination mechanisms, the vibrational distribution, and the
vibrational transfer mechanism are discussed. In addition, the effect
of experimental parameters, like position of power deposition, outlet
pressure, and specific energy input, on the CO 2 conversion and
energy efficiency is examined. The short residence time of the gas in
the plasma region, the shockwave, and the maximum critical heat,
and thus power, that can be added to the flow to avoid thermal
choking are the main obstacles to reaching high energy efficiencies. |
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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 |
000451101400016 |
Publication Date |
2018-11-15 |
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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 |
Not_Open_Access |
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Notes |
Fonds Wetenschappelijk Onderzoek, G.0383.16N ; |
Approved |
Most recent IF: 4.536 |
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Call Number |
PLASMANT @ plasmant @c:irua:155412 |
Serial |
5070 |
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Permanent link to this record |
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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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Address |
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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 |
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Author |
Mei, H.; Xu, W.; Wang, C.; Yuan, H.; Zhang, C.; Ding, L.; Zhang, J.; Deng, C.; Wang, Y.; Peeters, F.M. |
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Title |
Terahertz magneto-optical properties of bi- and tri-layer graphene |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
30 |
Issue |
17 |
Pages |
175701 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Magneto-optical (MO) properties of bi- and tri-layer graphene are investigated utilizing terahertz time-domain spectroscopy (THz TDS) in the presence of a strong magnetic field at room-temperature. In the Faraday configuration and applying optical polarization measurements, we measure the real and imaginary parts of the longitudinal and transverse MO conductivities of different graphene samples. The obtained experimental data fits very well with the classical MO Drude formula. Thus, we are able to obtain the key sample and material parameters of bi- and tri-layer graphene, such as the electron effective mass, the electronic relaxation time and the electron density. It is found that in high magnetic fields the electronic relaxation time tau for bi- and tri-layer graphene increases with magnetic field B roughly in a form tau similar to B-2. Most importantly, we obtain the electron effective mass for bi- and tri-layer graphene at room-temperature under non-resonant conditions. This work shows how the advanced THz MO techniques can be applied for the investigation into fundamental physics properties of atomically thin 2D electronic systems. |
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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 |
London |
Editor |
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Language |
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Wos |
000429329500001 |
Publication Date |
2018-03-20 |
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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 |
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 |
11 |
Open Access |
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Notes |
; This work was supported by the National Natural Science Foundation of China (11574319, 11304317, 11304272), the Ministry of Science and Technology of China (2011YQ130018), the Center of Science and Technology of Hefei Academy of Science, the Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 2.649 |
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Call Number |
UA @ lucian @ c:irua:150715UA @ admin @ c:irua:150715 |
Serial |
4983 |
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Permanent link to this record |
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Author |
Vanherck, J.; Sorée, B.; Magnus, W. |
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Title |
Anisotropic bulk and planar Heisenberg ferromagnets in uniform, arbitrarily oriented magnetic fields |
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 |
27 |
Pages |
275801 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Today, further downscaling of mobile electronic devices poses serious problems, such as energy consumption and local heat dissipation. In this context, spin wave majority gates made of very thin ferromagnetic films may offer a viable alternative. However, similar downscaling of magnetic thin films eventually enforces the latter to operate as quasi-2D magnets, the magnetic properties of which are not yet fully understood, especially those related to anisotropies and external magnetic fields in arbitrary directions. To this end, we have investigated the behaviour of an easy-plane and easy-axis anisotropic ferromagnet-both in two and three dimensions-subjected to a uniform magnetic field, applied along an arbitrary direction. In this paper, a spin-1/2 Heisenberg Hamiltonian with anisotropic exchange interactions is solved using double-time temperature-dependent Green's functions and the Tyablikov decoupling approximation. We determine various magnetic properties such as the Curie temperature and the magnetization as a function of temperature and the applied magnetic field, discussing the impact of the system's dimensionality and the type of anisotropy. The magnetic reorientation transition taking place in anisotropic Heisenberg ferromagnets is studied in detail. Importantly, spontaneous magnetization is found to be absent for easy-plane 2D spin systems with short range interactions. |
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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 |
London |
Editor |
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Language |
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Wos |
000434980600001 |
Publication Date |
2018-05-21 |
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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 |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
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Impact Factor |
2.649 |
Times cited |
|
Open Access |
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|
Notes |
; ; |
Approved |
Most recent IF: 2.649 |
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Call Number |
UA @ lucian @ c:irua:151945UA @ admin @ c:irua:151945 |
Serial |
5012 |
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Permanent link to this record |
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Author |
Simchi, H.; Simchi, M.; Fardmanesh, M.; Peeters, F.M. |
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Title |
Phase transition and field effect topological quantum transistor made of monolayer MoS2 |
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 |
23 |
Pages |
235303 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We study topological phase transitions and topological quantum field effect transistor in monolayer molybdenum disulfide (MoS2) using a two-band Hamiltonian model. Without considering the quadratic (q(2)) diagonal term in the Hamiltonian, we show that the phase diagram includes quantum anomalous Hall effect, quantum spin Hall effect, and spin quantum anomalous Hall effect regions such that the topological Kirchhoff law is satisfied in the plane. By considering the q(2) diagonal term and including one valley, it is shown that MoS2 has a non-trivial topology, and the valley Chern number is non-zero for each spin. We show that the wave function is (is not) localized at the edges when the q(2) diagonal term is added (deleted) to (from) the spin-valley Dirac mass equation. We calculate the quantum conductance of zigzag MoS2 nanoribbons by using the nonequilibrium Green function method and show how this device works as a field effect topological quantum transistor. |
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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 |
London |
Editor |
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Language |
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Wos |
000432821600001 |
Publication Date |
2018-04-26 |
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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 |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
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Impact Factor |
2.649 |
Times cited |
2 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 2.649 |
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Call Number |
UA @ lucian @ c:irua:151457UA @ admin @ c:irua:151457 |
Serial |
5035 |
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Permanent link to this record |
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Author |
Abdullah, H.M.; Bahlouli, H.; Peeters, F.M.; Van Duppen, B. |
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Title |
Confined states in graphene quantum blisters |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
|
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Volume |
30 |
Issue |
38 |
Pages |
385301 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Bilayer graphene samples may exhibit regions where the two layers are locally delaminated forming a so-called quanttun blister in the graphene sheet. Electron and hole states can be confined in this graphene quantum blisters (GQB) by applying a global electrostatic bias. We scrutinize the electronic properties of these confined states under the variation of interlayer bias, coupling, and blister's size. The spectra display strong anti-crossings due to the coupling of the confined states on upper and lower layers inside the blister. These spectra are layer localized where the respective confined states reside on either layer or equally distributed. For finite angular momentum, this layer localization can be at the edge of the blister and corresponds to degenerate modes of opposite momenta. Furthermore, the energy levels in GQB exhibit electron-hole symmetry that is sensitive to the electrostatic bias. Finally, we demonstrate that confinement in GQB persists even in the presence of a variation in the interlayer coupling. |
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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 |
London |
Editor |
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Language |
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Wos |
000443135000001 |
Publication Date |
2018-08-13 |
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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 |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
6 |
Open Access |
|
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|
Notes |
; HMA and HB acknowledge the Saudi Center for Theoretical Physics (SCTP) for their generous support and the support of KFUPM under physics research group projects RG1502-1 and RG1502-2. This work is supported by the Flemish Science Foundation (FWO-Vl) by a post-doctoral fellowship (BVD). ; |
Approved |
Most recent IF: 2.649 |
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Call Number |
UA @ lucian @ c:irua:153620UA @ admin @ c:irua:153620 |
Serial |
5086 |
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Permanent link to this record |
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Author |
de Jong van Coevorden, C.M.; Gielis, J.; Caratelli, D. |
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Title |
Application of Gielis transformation to the design of metamaterial structures |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of physics : conference series |
Abbreviated Journal |
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Volume |
963 |
Issue |
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Pages |
Unsp 012008 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
In this communication, the use of Gielis transformation to design more compact metamaterial unit cells is explored. For this purpose, transformed complementary split ring resonators and spiral resonators are coupled to micro-strip lines and theirbehaviour is investigated. The obtained results confirm that the useof the considered class of supershaped geometries enables the synthesis of very compact scalable microwave components. |
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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 |
000435022800008 |
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 |
1742-6588; 1742-6596 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:150947 |
Serial |
7475 |
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Permanent link to this record |
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Author |
Hai, G.-Q.; Candido, L.; Brito, B.G.A.; Peeters, F.M. |
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Title |
Electron pairing: from metastable electron pair to bipolaron |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of physics communications |
Abbreviated Journal |
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Volume |
2 |
Issue |
3 |
Pages |
Unsp 035017 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Starting from the shell structure in atoms and the significant correlation within electron pairs, we distinguish the exchange-correlation effects between two electrons of opposite spins occupying the same orbital from the average correlation among many electrons in a crystal. In the periodic potential of the crystal with lattice constant larger than the effective Bohr radius of the valence electrons, these correlated electron pairs can form a metastable energy band above the corresponding single-electron band separated by an energy gap. In order to determine if these metastable electron pairs can be stabilized, we calculate the many-electron exchange-correlation renormalization and the polaron correction to the two-band system with single electrons and electron pairs. We find that the electron-phonon interaction is essential to counterbalance the Coulomb repulsion and to stabilize the electron pairs. The interplay of the electron-electron and electron-phonon interactions, manifested in the exchange-correlation energies, polaron effects, and screening, is responsible for the formation of electron pairs (bipolarons) that are located on the Fermi surface of the single-electron band. |
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Publisher |
IOP Publishing |
Place of Publication |
Bristol |
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Wos |
000434996900022 |
Publication Date |
2018-02-13 |
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ISSN |
2399-6528 |
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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 |
9 |
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Notes |
; This work was supported by the Brazilian agencies FAPESP and CNPq. GQH would like to thank Prof. Bangfen Zhu for his invaluable support and expert advice. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:152079UA @ admin @ c:irua:152079 |
Serial |
5022 |
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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 |
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A1 Journal article |
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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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000426378100001 |
Publication Date |
2018-02-28 |
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ISSN |
0022-3727 |
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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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