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Author | Dhayalan, S.K.; Kujala, J.; Slotte, J.; Pourtois, G.; Simoen, E.; Rosseel, E.; Hikavyy, A.; Shimura, Y.; Loo, R.; Vandervorst, W. | ||||
Title | On the evolution of strain and electrical properties in as-grown and annealed Si:P epitaxial films for source-drain stressor applications | Type | A1 Journal article | ||
Year | 2018 | Publication | ECS journal of solid state science and technology | Abbreviated Journal | Ecs J Solid State Sc |
Volume | 7 | Issue | 5 | Pages | P228-P237 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Heavily P doped Si:P epitaxial layers have gained interest in recent times as a promising source-drain stressor material for n type FinFETs (Fin Field Effect Transistors). They are touted to provide excellent conductivity as well as tensile strain. Although the as-grown layers do provide tensile strain, their conductivity exhibits an unfavorable behavior. It reduces with increasing P concentration (P > 1E21 at/cm(3)), accompanied by a saturation in the active carrier concentration. Subjecting the layers to laser annealing increases the conductivity and activates a fraction of P atoms. However, there is also a concurrent reduction in tensile strain (<1%). Literature proposes the formation of local semiconducting Si3P4 complexes to explain the observed behaviors in Si:P [Z. Ye et al., ECS Trans., 50(9) 2013, p. 1007-10111. The development of tensile strain and the saturation in active carrier is attributed to the presence of local complexes while their dispersal on annealing is attributed to strain reduction and increase in active carrier density. However, the existence of such local complexes is not proven and a fundamental void exists in understanding the structure-property correlation in Si:P films. In this respect, our work investigates the reason behind the evolution of strain and electrical properties in the as-grown and annealed Si:P epitaxial layers using ab-initio techniques and corroborate the results with physical characterization techniques. It will be shown that the strain developed in Si:P films is not due to any specific complexes while the formation of Phosphorus-vacancy complexes will be shown responsible for the carrier saturation and the increase in resistivity in the as-grown films. Interstitial/precipitate formation is suggested to be a reason for the strain loss in the annealed films. (C) The Author(s) 2018. Published by ECS. | ||||
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Publisher | Electrochemical society | Place of Publication | Pennington (N.J.) | Editor | |
Language | Wos | 000440834200010 | Publication Date | 2018-05-01 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2162-8769; 2162-8777 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.787 | Times cited ![]() |
4 | Open Access | OpenAccess |
Notes | Approved | Most recent IF: 1.787 | |||
Call Number | UA @ lucian @ c:irua:153204 | Serial | 5122 | ||
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Author | Jimenez-Mena, N.; Jacques, P.J.; Ding, L.; Gauquelin, N.; Schryvers, D.; Idrissi, H.; Delannay, F.; Simar, A. | ||||
Title | Enhancement of toughness of Al-to-steel Friction Melt Bonded welds via metallic interlayers | Type | A1 Journal article | ||
Year | 2019 | Publication | Materials science and engineering: part A: structural materials: properties, microstructure and processing | Abbreviated Journal | Mat Sci Eng A-Struct |
Volume | 740-741 | Issue | Pages | 274-284 | |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | The toughness of Al-to-steel welds decreases with increasing thickness of the intermetallic (IM) layer formed at the interface. Co plating has been added as interlayer in Al-to-steel Friction Melt Bonded (FMB) welds to control the nature and thickness of the IM layer. In comparison to a weld without interlayer, Co plating brings about a reduction of the thickness of the IM layer by 70%. The critical energy release rate of the crack propagating in the weld is used as an indicator of toughness. It is evaluated via an adapted crack propagation test using an energy conservation criterion. For a weld without interlayer, critical energy release rate is found to increase when the thickness of the intermetallic layer decreases. When the intermetallic layer is thick, the crack propagates in a brittle manner through the intermetallic whereas, at low layer thickness, the crack deviates and partially propagates through the Al plate, which causes an increase of toughness. The use of a Co interlayer brings about an increase of toughness by causing full deviation of the crack towards the Al plate. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000453494500029 | Publication Date | 2018-10-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0921-5093 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.094 | Times cited ![]() |
4 | Open Access | Not_Open_Access: Available from 25.10.2020 |
Notes | The authors acknowledge the financial support of the Interuniversity Attraction Poles Program from the Belgian State through the Belgian Policy Agency, Belgium, contract IAP7/21 INTEMATE. N. Jimenez-Mena acknowledges the financial support of the (Fonds pour la formation à la recherchedans l'industrie et dans l'agriculture (FRIA), Belgium. A. Simar acknowledges the financial support of the (European Research Council – Starting Grant (ERC-StG), project ALUFIX, grant agreement no 716678. H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS), Belgium. The authors also acknowledge M. Coulombier for the help provided in the measurement of the friction coefficient, and T. Pardoen and F. Lani for the fruitful discussions. | Approved | Most recent IF: 3.094 | ||
Call Number | EMAT @ emat @c:irua:154866UA @ admin @ c:irua:154866 | Serial | 5061 | ||
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Author | Peeters, J.; Steenackers, G.; Sfarra, S.; Legrand, S.; Ibarra-Castanedo, C.; Janssens, K.; van der Snickt, G. | ||||
Title | IR reflectography and active thermography on artworks : the added value of the 1.53 µm band | Type | A1 Journal article | ||
Year | 2018 | Publication | Applied Sciences | Abbreviated Journal | Appl Sci-Basel |
Volume | 8 | Issue | 1 | Pages | 50 |
Keywords | A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | Infrared Radiation (IR) artwork inspection is typically performed through active thermography and reflectography with different setups and cameras. While Infrared Radiation Reflectography (IRR) is an established technique in the museum field, exploiting mainly the IR-A (0.71.4 µm) band to probe for hidden layers and modifications within the paint stratigraphy system, active thermography operating in the IR-C range (35 μ m) is less frequently employed with the aim to visualize structural defects and features deeper inside the build-up. In this work, we assess to which extent the less investigated IR-B band (1.53 μ m) can combine the information obtained from both setups. The application of IR-B systems is relatively rare as there are only a limited amount of commercial systems available due to the technical complexity of the lens coating. This is mainly added as a so-called broadband option on regular Mid-wave infrared radiation (MWIR) (IR-C/35 μ m) cameras to increase sensitivity for high temperature applications in industry. In particular, four objects were studied in both reflectographic and thermographic mode in the IR-B spectral range and their results benchmarked with IR-A and IR-C images. For multispectral application, a single benchmark is made with macroscopic reflection mode Fourier transform infrared (MA-rFTIR) results. IR-B proved valuable for visualisation of underdrawings, pencil marks, canvas fibres and wooden grain structures and potential pathways for additional applications such as pigment identification in multispectral mode or characterization of the support (panels, canvas) are indicated. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000424388800050 | Publication Date | 2018-01-03 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2076-3417 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.679 | Times cited ![]() |
4 | Open Access | |
Notes | ; This research has been funded by the University of Antwerp and the Institute for the Promotion of Innovation by Science and Technology in Flanders (VLAIO) by the support to the TETRA project 'SINT: Smart Integration of Numerical modelling and Thermal inspection' with project number HBC.2017.0032. Furthermore, the research leading to these results has received funding from the Research Foundation Flanders (FWO) travel grant V4.010.16N and the Stimpro stimuli of UAntwerpen under project ID 32864. We would like to end with a special thanks to the MiViM research chair of Prof. Xavier Maldague and the support of the full team in supporting the preliminary measurements of this research. ; | Approved | Most recent IF: 1.679 | ||
Call Number | UA @ admin @ c:irua:149164 | Serial | 5677 | ||
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Author | Sathiyamoorthy, S.; Girijakumari, G.; Kannan, P.; Venugopal, K.; Thiruvottriyur Shanmugam, S.; Veluswamy, P.; De Wael, K.; Ikeda, H. | ||||
Title | Tailoring the functional properties of polyurethane foam with dispersions of carbon nanofiber for power generator applications | Type | A1 Journal article | ||
Year | 2018 | Publication | Applied surface science | Abbreviated Journal | Appl Surf Sci |
Volume | 449 | Issue | 449 | Pages | 507-513 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | To produce effective thermoelectric nanocomposites, carbon nanofibers (CNF) incorporated polyurethane (PU) foams with nanocomposites are prepared via in-situ polymerization method to create a synergy that would produce a high thermopower. The formation mechanism of foams, the reaction kinetics, and the physical properties such as density and water absorption studied before and after CNF incorporation. The microscopy images showed a uniform dispersion of CNF in the PU matrix of the prepared foams. Spectroscopic studies such as X-ray photoelectron and laser Raman spectroscopy suggested the existence of a tight intermolecular binding interaction between the carbon nanofibers and the PU matrix in the prepared composite foams. It found that the thermopower is directly dependent on the concentration of carbon nanofiber since, with rising concentration of 1%3%, the coefficient values increased from 1.2 μV/K to 11.9 μV/K respectively, a value higher than that of earlier report. This unique nanocomposite offers a new opportunity to recycle waste heat in portable/wearable electronics and other applications, which will broaden the development of low weight and mechanical flexibility. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000438025400064 | Publication Date | 2018-02-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0169-4332 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.387 | Times cited ![]() |
4 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 3.387 | ||
Call Number | UA @ admin @ c:irua:151287 | Serial | 5868 | ||
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Author | Compernolle, T.; Van Passel, S.; Huisman, K.; Kort, P. | ||||
Title | The option to abandon : stimulating innovative groundwater remediation technologies characterized by technological uncertainty | Type | A1 Journal article | ||
Year | 2014 | Publication | Science Of The Total Environment | Abbreviated Journal | Sci Total Environ |
Volume | 496 | Issue | Pages | 63-74 | |
Keywords | A1 Journal article; Economics | ||||
Abstract | Many studies on technology adoption demonstrate that uncertainty leads to a postponement of investments by integrating a wait option in the economic analysis. The aim of this study however is to demonstrate how the investment in new technologies can be stimulated by integrating an option to abandon. Furthermore, this real option analysis not only considers the ex ante decision analysis of the investment in a new technology under uncertainty, but also allows for an ex post evaluation of the investment. Based on a case study regarding the adoption of an innovative groundwater remediation strategy, it is demonstrated that when the option to abandon the innovative technology is taken into account, the decision maker decides to invest in this technology, while at the same time it determines an optimal timing to abandon the technology if its operation proves to be inefficient. To reduce uncertainty about the effectiveness of groundwater remediation technologies, samples are taken. Our analysis shows that when the initial belief in an effective innovative technology is low, it is important that these samples provide correct information in order to justify the adoption of the innovative technology. (C) 2014 Elsevier B.V. All rights reserved. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000342245600009 | Publication Date | 2014-07-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0048-9697 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles | |
Impact Factor | 4.9 | Times cited ![]() |
4 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 4.9; 2014 IF: 4.099 | ||
Call Number | UA @ admin @ c:irua:119931 | Serial | 6269 | ||
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Author | Moretti, M.; Van Passel, S.; Camposeo, S.; Pedrero, F.; Dogot, T.; Lebailly, P.; Vivaldi, G.A. | ||||
Title | Modelling environmental impacts of treated municipal wastewater reuse for tree crops irrigation in the Mediterranean coastal region | Type | A1 Journal article | ||
Year | 2019 | Publication | Science Of The Total Environment | Abbreviated Journal | Sci Total Environ |
Volume | 660 | Issue | 660 | Pages | 1513-1521 |
Keywords | A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) | ||||
Abstract | Wastewater reuse provides valuable solutions to solve the societal challenges of decreasing availability and limiting access to secure water resources. The present study quantifies the environmental performance of nectarine orchards irrigation using treated municipal wastewater (TMW) and surface water using a unique dataset based on field experimental data. Climate change, toxicity (for human and freshwater), eutrophication (marine and freshwater) and acidification impacts were analysed using the impact assessment method suggested by the International Reference Life Cycle Data System (ILCD). The water footprint associated to the life cycles of each system has been estimated using the Available WAter REmaining (AWARE) method. Monte Carlo simulation was used to assess data uncertainty. The irrigation of nectarine orchards using TMW performs better than the irrigation using surface water for eutrophication impact categories. Compared with surface water resources, the potential impacts of TMW reuse in agriculture on climate change and toxicity are affected by the wastewater treatment phase (WWT). Only eutrophication and acidification burdens are generated by in-field substitution of surface water with TMW. Considering human and ecosystem water demand, the irrigation with TMW increases water consumption of 19.12 m3 per kg of nectarine produced. Whereas, it shows a positive contribution to water stress (−0.19 m3) if only human water demand is considered. This study provides important results that allow for a better understanding of the potential environmental consequences of TMW reuse in agriculture. It suggests that embracing the type of WWTs, the replacement of fertilizers, the effects on water scarcity and ecosystem quality might be useful to redefine water reuse regulations and increase public acceptance for the reuse of TMW in agriculture. Moreover, this study reveals the need for developing consensus and standardized guidance for life cycle analysis of water reuse applications. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000457725700145 | Publication Date | 2019-01-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0048-9697 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles | |
Impact Factor | 4.9 | Times cited ![]() |
4 | Open Access | |
Notes | ; The authors would like to thank the EU, MIUR and FNRS for funding, in the frame of the collaborative international Consortium DESERT financed under the ERA-NET WaterWorks2014 Cofunded Call. This ERA-NET is an integral part of the 2015 Joint Activities developed by the “Water Challenges for a Changing World Joint Programme Initiative (Water JPI)”. G.A. Vivaldi would like to thank also the Regione Puglia for the support from the “Fondo di Sviluppo e Coesione” 2007-2013 – APQ Ricerca Regione Puglia “Programma regionale a sostegno della specializzazione intelligente e della sostenibilita sociale ed ambientale – FutureInResearch”. ; | Approved | Most recent IF: 4.9 | ||
Call Number | UA @ admin @ c:irua:156931 | Serial | 6227 | ||
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Author | Kenawy, A.; Magnus, W.; Milošević, M.V.; Sorée, B. | ||||
Title | Electronically tunable quantum phase slips in voltage-biased superconducting rings as a base for phase-slip flux qubits | Type | A1 Journal article | ||
Year | 2020 | Publication | Superconductor Science & Technology | Abbreviated Journal | Supercond Sci Tech |
Volume | 33 | Issue | 12 | Pages | 125002 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Quantum phase slips represent a coherent mechanism to couple flux states of a superconducting loop. Since their first direct observation, there have been substantial developments in building charge-insensitive quantum phase-slip circuits. At the heart of these devices is a weak link, often a nanowire, interrupting a superconducting loop. Owing to the very small cross-sectional area of such a nanowire, quantum phase slip rates in the gigahertz range can be achieved. Instead, here we present the use of a bias voltage across a superconducting loop to electrostatically induce a weak link, thereby amplifying the rate of quantum phase slips without physically interrupting the loop. Our simulations reveal that the bias voltage modulates the free energy barrier between subsequent flux states in a very controllable fashion, providing a route towards a phase-slip flux qubit with a broadly tunable transition frequency. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000577207000001 | Publication Date | 2020-09-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0953-2048 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.6 | Times cited ![]() |
4 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 3.6; 2020 IF: 2.878 | ||
Call Number | UA @ admin @ c:irua:172643 | Serial | 6503 | ||
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Author | Vishwakarma, M.; Agrawal, K.; Hadermann, J.; Mehta, B.R. | ||||
Title | Investigating the effect of sulphurization on volatility of compositions in Cu-poor and Sn-rich CZTS thin films | Type | A1 Journal article | ||
Year | 2020 | Publication | Applied Surface Science | Abbreviated Journal | Appl Surf Sci |
Volume | 507 | Issue | Pages | 145043 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | In the present work, the Cu-poor and Sn-rich CZTS thin films were prepared in order to study the volatility of Sn with respect to other components. Thin film compositions were kept intentionally Sn-rich to understand the behaviour of loss and segregation of Sn during sulphurization. The homogeneous composition distribution in precursor thin films turns heterogeneous with a change in morphology after sulphurization. The inability of identifying nanoscale secondary phases in CZTS thin film by conventional analytical techniques such as XRD and Raman, can be fulfilled by employing HAADF-STEM analysis. XPS and HAADF-STEM analyses provide the quantification of nanoscale secondary phases across the thin film and surface, respectively. The volatility of Sn was revealed in the form of segregation in the middle layer of CZTS cross-sectional lamella rather than loss to annealing atmosphere. It was observed that among the cations of CZTS, Sn segregates more than Cu, while Zn segregates least. The nanoscale spurious phases were observed to vary across different regions in the sulphurized CZTS sample. The reactive annealing lead to grain growth and formation of grain boundary features in the CZTS thin films, where annealing significantly modifies the potential difference and band bending at grain boundaries with respect to intra-grains. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000520021200053 | Publication Date | 2019-12-13 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0169-4332 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.7 | Times cited ![]() |
4 | Open Access | OpenAccess |
Notes | ; Authors acknowledges support provided by DST, India in the forms of InSOL project. We also acknowledge Dr. Indrani Mishra for XPS measurements and DST-FIST Raman facility for Raman measurements. Manoj Vishwakarma acknowledges IIT Delhi, New Delhi, India for MHRD fellowship. Prof. B.R. Mehta acknowledges the support of the Schlumberger chair professorship. ; | Approved | Most recent IF: 6.7; 2020 IF: 3.387 | ||
Call Number | UA @ admin @ c:irua:168603 | Serial | 6552 | ||
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Author | Monico, L.; Cartechini, L.; Rosi, F.; Chieli, A.; Grazia, C.; De Meyer, S.; Nuyts, G.; Vanmeert, F.; Janssens, K.; Cotte, M.; De Nolf, W.; Falkenberg, G.; Sandu, I.C.A.; Tveit, E.S.; Mass, J.; De Freitas, R.P.; Romani, A.; Miliani, C. | ||||
Title | Probing the chemistry of CdS paints in The Scream by in situ noninvasive spectroscopies and synchrotron radiation x-ray techniques | Type | A1 Journal article | ||
Year | 2020 | Publication | Science Advances | Abbreviated Journal | |
Volume | 6 | Issue | 20 | Pages | eaay3514 |
Keywords | A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | The degradation of cadmium sulfide (CdS)-based oil paints is a phenomenon potentially threatening the iconic painting The Scream (ca. 1910) by Edvard Munch (Munch Museum, Oslo) that is still poorly understood. Here, we provide evidence for the presence of cadmium sulfate and sulfites as alteration products of the original CdS-based paint and explore the external circumstances and internal factors causing this transformation. Macroscale in situ noninvasive spectroscopy studies of the painting in combination with synchrotron-radiation x-ray microspectroscopy investigations of a microsample and artificially aged mock-ups show that moisture and mobile chlorine compounds are key factors for promoting the oxidation of CdS, while light (photodegradation) plays a less important role. Furthermore, under exposure to humidity, parallel/secondary reactions involving dissolution, migration through the paint, and recrystallization of water-soluble phases of the paint are associated with the formation of cadmium sulfates. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000533573300009 | Publication Date | 2020-05-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2375-2548 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 13.6 | Times cited ![]() |
4 | Open Access | |
Notes | ; The research was financially supported by the European research project IPERION-CH, funded by the European Commission, H2020-INFRAIA-2014-2015 (grant agreement no. 654028); the project AMIS, within the program Dipartimenti di Eccellenza 2018-2022 (funded by MIUR and University of Perugia); and the program “Ricerca di Base 2017” (funded by University of Perugia). S.D.M. and K.J. acknowledge the GOA Project SolarPaint from the University of Antwerp Research Council and projects G056619N and G054719N from FWO (Brussels). F.V. and K.J. acknowledge support from Interreg Project Smart*Light and thank BELSPO (Brussels) for financial support via FED-tWIN mandate PRF055. L.M. acknowledges the Erasmus+ program (Staff Mobility for training, A. Y. 2018 to 2019) of the European Commission. In situ noninvasive analyses were performed using the European MOLAB platform, which is financially supported by the European project IPERION-CH. For the beamtime grants received, the authors thank the ESRF-ID21 beamline (experiment nos. HG32, HG64, and HG95), DESY-P06 beamline, a member of the Helmholtz Association HGF (experiment nos. I-20130221 EC and I-20160126 EC), and the project CALIPSOplus under the Grant Agreement 730872 from the EU Framework Programme for Research and Innovation HORIZON 2020. ; | Approved | Most recent IF: 13.6; 2020 IF: NA | ||
Call Number | UA @ admin @ c:irua:169519 | Serial | 6585 | ||
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Author | Obeid, M.M.; Bafekry, A.; Rehman, S.U.; Nguyen, C., V. | ||||
Title | A type-II GaSe/HfS₂ van der Waals heterostructure as promising photocatalyst with high carrier mobility | Type | A1 Journal article | ||
Year | 2020 | Publication | Applied Surface Science | Abbreviated Journal | Appl Surf Sci |
Volume | 534 | Issue | Pages | 147607 | |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | In this paper, the electronic, optical, and photocatalytic properties of GaSe/HfS2 heterostructure are studied via first-principles calculations. The stability of the vertically stacked heterobilayers is validated by the binding energy, phonon spectrum, and ab initio molecular dynamics simulation. The results reveal that the most stable GaSe/HfS2 heterobilayer retains a type-II alignment with an indirect bandgap 1.40 eV. As well, the results also show strong optical absorption intensity in the studied heterostructure (1.8 x 10(5) cm(-1)). The calculated hole mobility is 1376 cm(2) V-1 s(-1), while electron mobility reaches 911 cm(2) V-1 s(-1) along the armchair and zigzag directions. By applying an external electric field, the bandgap and band offset of the designed heterostructure can be effectively modified. Remarkably, a stronger external electric field can create nearly free electron states in the vicinity of the bottom of the conduction band, which induces indirect-to-direct bandgap transition as well as a semiconductor-to-metal transition. In contrast, the electronic properties of GaSe/HfS2 heterostructure are predicted to be insensitive to biaxial strain. The current work reveals that GaSe/HfS2 heterostructure is a promising candidate as a novel photocatalytic material for hydrogen generation in the visible range. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000582367700045 | Publication Date | 2020-08-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0169-4332 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.7 | Times cited ![]() |
4 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 6.7; 2020 IF: 3.387 | ||
Call Number | UA @ admin @ c:irua:174301 | Serial | 6682 | ||
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Author | van Cleempoel, A.; Joutsensaari, J.; Kauppinen, E.; Gijbels, R.; Claeys, M. | ||||
Title | Aerosol synthesis and characterization of ultrafine fullerene particles | Type | A1 Journal article | ||
Year | 1998 | Publication | Fullerene science and technology | Abbreviated Journal | Fullerene Sci Techn |
Volume | 6 | Issue | 4 | Pages | 599-627 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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Publisher | Place of Publication | New York | Editor | ||
Language | Wos | 000074859200001 | Publication Date | 2008-04-23 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 1064-122X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited ![]() |
3 | Open Access | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:24038 | Serial | 78 | ||
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Author | Ibrahim, I.S.; Peeters, F.M. | ||||
Title | Electrons in a periodic magnetic field | Type | A1 Journal article | ||
Year | 1996 | Publication | Surface science : a journal devoted to the physics and chemistry of interfaces | Abbreviated Journal | Surf Sci |
Volume | 361/362 | Issue | Pages | 341-344 | |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
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Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | A1996UZ03300083 | Publication Date | 2002-07-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0039-6028; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.925 | Times cited ![]() |
3 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:15815 | Serial | 1020 | ||
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Author | Teodorescu, V.S.; Nistor, L.C.; van Landuyt, J. | ||||
Title | High resolution TEM observation of in situ colloid formation in CaF2 crystals | Type | A1 Journal article | ||
Year | 1997 | Publication | Materials science forum | Abbreviated Journal | |
Volume | 239-241 | Issue | Pages | 671-674 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lausanne | Editor | ||
Language | Wos | A1997BH33W00145 | Publication Date | 0000-00-00 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0255-5476; 1662-9752 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited ![]() |
3 | Open Access | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:21404 | Serial | 1460 | ||
Permanent link to this record | |||||
Author | Zhang, Y.-R.; Tinck, S.; De Schepper, P.; Wang, Y.-N.; Bogaerts, A. | ||||
Title | Modeling and experimental investigation of the plasma uniformity in CF4/O2 capacitively coupled plasmas, operating in single frequency and dual frequency regime | Type | A1 Journal article | ||
Year | 2015 | Publication | Journal of vacuum science and technology: A: vacuum surfaces and films | Abbreviated Journal | J Vac Sci Technol A |
Volume | 33 | Issue | 33 | Pages | 021310 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | A two-dimensional hybrid Monte Carlofluid model, incorporating a full-wave solution of Maxwell's equations, is employed to describe the behavior of high frequency (HF) and very high frequency capacitively coupled plasmas (CCPs), operating both at single frequency (SF) and dual frequency (DF) in a CF4/O2 gas mixture. First, the authors investigate the plasma composition, and the simulations reveal that besides CF4 and O2, also COF2, CF3, and CO2 are important neutral species, and CF+3 and F− are the most important positive and negative ions. Second, by comparing the results of the model with and without taking into account the electromagnetic effects for a SF CCP, it is clear that the electromagnetic effects are important, both at 27 and 60 MHz, because they affect the absolute values of the calculation results and also (to some extent) the spatial profiles, which accordingly affects the uniformity in plasma processing. In order to improve the plasma radial uniformity, which is important for the etch process, a low frequency (LF) source is added to the discharge. Therefore, in the major part of the paper, the plasma uniformity is investigated for both SF and DF CCPs, operating at a HF of 27 and 60 MHz and a LF of 2 MHz. For this purpose, the authors measure the etch rates as a function of position on the wafer in a wide range of LF powers, and the authors compare them with the calculated fluxes toward the wafer of the plasma species playing a role in the etch process, to explain the trends in the measured etch rate profiles. It is found that at a HF of 60 MHz, the uniformity of the etch rate is effectively improved by adding a LF power of 2 MHz and 300 W, while its absolute value increases by about 50%, thus a high etch rate with a uniform distribution is observed under this condition. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | 000355739500026 | Publication Date | 2015-01-29 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0734-2101;1520-8559; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.374 | Times cited ![]() |
3 | Open Access | |
Notes | Approved | Most recent IF: 1.374; 2015 IF: 2.322 | |||
Call Number | c:irua:122650 | Serial | 2107 | ||
Permanent link to this record | |||||
Author | Rotaru, G.-M.; Schryvers, D. | ||||
Title | New (3(3)under-bar) long-period microtwin variant in the martensitic phase of the PtTi alloy | Type | A1 Journal article | ||
Year | 2008 | Publication | Materials science and engineering: part A: structural materials: properties, microstructure and processing | Abbreviated Journal | Mat Sci Eng A-Struct |
Volume | 481 | Issue | Si | Pages | 437-441 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000255716100090 | Publication Date | 2007-06-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0921-5093; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.094 | Times cited ![]() |
3 | Open Access | |
Notes | Multimat | Approved | Most recent IF: 3.094; 2008 IF: 1.806 | ||
Call Number | UA @ lucian @ c:irua:69140 | Serial | 2300 | ||
Permanent link to this record | |||||
Author | Enjalbert, R.; Galy, J.; Castro, A.; Lidin, S.; Withers, R.; Van Tendeloo, G. | ||||
Title | Order and twining in Sb2W0.75Mo0.25O6 | Type | A1 Journal article | ||
Year | 2003 | Publication | Solid state sciences | Abbreviated Journal | Solid State Sci |
Volume | 5 | Issue | 5 | Pages | 721-724 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000183284700006 | Publication Date | 2003-05-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1293-2558; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.811 | Times cited ![]() |
3 | Open Access | |
Notes | Approved | Most recent IF: 1.811; 2003 IF: 1.327 | |||
Call Number | UA @ lucian @ c:irua:54697 | Serial | 2500 | ||
Permanent link to this record | |||||
Author | Muret, P.; Nguyen, T.T.A.; Frangis, N.; Van Tendeloo, G.; van Landuyt, J. | ||||
Title | Photoelectric and electrical responses of several erbium silicide/silicon interfaces | Type | A1 Journal article | ||
Year | 1996 | Publication | Applied surface science T2 – International Symposium on Si Heterostructures – From Physics to Devices, SEP 11-14, 1995, IRAKLION, GREECE | Abbreviated Journal | Appl Surf Sci |
Volume | 102 | Issue | Pages | 173-177 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | In this work, photoelectric yield and electrical properties of several types of epitaxial erbium silicide on silicon Schottky diodes are studied, Different preparation conditions are used simultaneously on n- and p-Si(111) substrates for the 200 Angstrom thick silicide films. A last type of sample consists in 1.3 monolayer of epitaxial silicide with root 3 X root 3 superstructure on the Si substrate and covered by silver on the top. Photocurrent measurements are done as a function of photon energy at several temperatures. All these samples show barrier heights near 1 eV on p-type Si, even for the interface comprising only 1.3 monolayer of silicide whereas barrier heights on n-rype Si span the range from 0.28 to 0.67 eV for this last kind of sample, the sum of the barriers always exceeding the silicon band gap, These photoelectric results are confirmed by electrical characterisations, All these results show that the Fermi level is pinned 0.1 eV below the conduction band edge on p-type Si but shifts to various positions lower within the band gap on n-type Si. This fact leads to the hypothesis of a density of -7 interface states close to the charge change in the Si depletion zone from p- to n-type, namely 10(12) eV(-1) cm(-2). Although some inhomogeneities and defects at the interface are detected by electron microscopy for samples annealed at 750 degrees C, Fermi level position seems rather insensitive to the structural details of the interface while the silicide thickness plays a role on n-type Si. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | A1996VJ86100039 | Publication Date | 2003-05-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0169-4332; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.711 | Times cited ![]() |
3 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:104392 | Serial | 2611 | ||
Permanent link to this record | |||||
Author | Adriaensen, L.; Vangaever, F.; Lenaerts, J.; Gijbels, R. | ||||
Title | S-SIMS and MetA-SIMS study of organic additives in thin polymer coatings | Type | A1 Journal article | ||
Year | 2006 | Publication | Applied surface science | Abbreviated Journal | Appl Surf Sci |
Volume | 252 | Issue | 19 | Pages | 6628-6631 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000240609900057 | Publication Date | 2006-06-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0169-4332; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.387 | Times cited ![]() |
3 | Open Access | |
Notes | Approved | Most recent IF: 3.387; 2006 IF: 1.436 | |||
Call Number | UA @ lucian @ c:irua:60083 | Serial | 2937 | ||
Permanent link to this record | |||||
Author | Vasiliev, A.L.; Stepantsov, E.A.; Ivanov, Z.G.; Olsson, E.; Verbist, K.; Van Tendeloo, G. | ||||
Title | Structure of artificial grain boundaries in sapphire bicrystals with intermediate layers | Type | A1 Journal article | ||
Year | 1997 | Publication | Interface science | Abbreviated Journal | |
Volume | 5 | Issue | Pages | 223-230 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Kluwer | Place of Publication | Boston | Editor | |
Language | Wos | A1997YJ98600002 | Publication Date | 0000-00-00 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0927-7056 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited ![]() |
3 | Open Access | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:21451 | Serial | 3307 | ||
Permanent link to this record | |||||
Author | Lepoittevin, C.; Malo, S.; Van Tendeloo, G.; Hervieu, M. | ||||
Title | Synthesis and structural mechanisms of the 2201-type ferrites and polytypes: Fe2(Sr2-xAx)FeO6.5-\delta/2 (A = Ba, La, Tl, Pb and Bi) | Type | A1 Journal article | ||
Year | 2009 | Publication | Solid state sciences | Abbreviated Journal | Solid State Sci |
Volume | 11 | Issue | 3 | Pages | 595-607 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The Fe2(Sr2 − xAx)FeO6.5 − ä/2 systems have been investigated, by doping the iron rich 2201-type parent structure with Ba2+, La3+ and 5d10 post-transition cations. The syntheses have been carried out up to the limit of the 2201-type solid solutions, in order to test the role of the double iron layer Fe2O2.5 − ä/2. The localisation of the charge carriers in these compounds is consistent with their strong antiferro-magnetism. The investigation was then carried out in the transition part of the diagram up to the formation of stable phases. The study of structural mechanisms was carried using high resolution electron microscopy (transmission and scanning transmission), electron diffraction and energy dispersive spectroscopy. Different non-stoichiometry mechanisms are observed, depending on the electronic structure and chemical properties of the doping elements. The specific behavior of the modulated double iron layer is discussed. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000264644800001 | Publication Date | 2008-12-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1293-2558; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.811 | Times cited ![]() |
3 | Open Access | |
Notes | Esteem 026019 | Approved | Most recent IF: 1.811; 2009 IF: 1.675 | ||
Call Number | UA @ lucian @ c:irua:76416 | Serial | 3437 | ||
Permanent link to this record | |||||
Author | Tafuri, F.; Carillo, F.; Lombardi, F.; Granozio, F.M.; dii Uccio, U.S.; Testa, G.; Sarnelli, E.; Verbist, K.; Van Tendeloo, G. | ||||
Title | YBa2Cu3O7-x Josephson junctions and dc SQUIDs based on 45\text{\textdegree} a-axis tilt and twist grain boundaries : atomically clean interfaces for applications | Type | A1 Journal article | ||
Year | 1999 | Publication | Superconductor science and technology T2 – International Superconductive Electronics Conference, JUN 21-25, 1999, BERKELEY, CALIFORNIA | Abbreviated Journal | Supercond Sci Tech |
Volume | 12 | Issue | 11 | Pages | 1007-1009 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | YBa2Cu3O7-x artificial grain boundary Josephson junctions have been fabricated, employing a recently implemented biepitaxial technique. The grain boundaries can be obtained by controlling the orientation of the MgO seed layer and are characterized by a misalignment of the c-axes (45 degrees a-axis tilt or 45 degrees a-axis twist). These types of grain boundaries are still mostly unexplored. We carried out a complete characterization of their transport properties and microstructure. Junctions and de SQUIDs associated with these grain boundaries exhibit an excellent Josephson phenomenology and high values of the ICRN product and of the magnetic flux-to-voltage transfer parameter respectively. Remarkable differences in the transport parameters of tilt and twist junctions have been observed, which can be of interest for several applications. A maximum speed of Josephson vortices as calculated from the voltage step values of the order of 2 x 10(6) m s(-1) is obtained. These devices could also have some impact on experiments designed to study the symmetry of the order parameter, exploiting their microstructure and anisotropic properties. High-resolution electron microscopy showed the presence of perfect basal plane faced boundaries in the cross sections of tilt boundaries. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Bristol | Editor | ||
Language | Wos | 000083948400093 | Publication Date | 2002-08-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0953-2048;1361-6668; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.878 | Times cited ![]() |
3 | Open Access | |
Notes | Approved | Most recent IF: 2.878; 1999 IF: 1.728 | |||
Call Number | UA @ lucian @ c:irua:102896 | Serial | 3565 | ||
Permanent link to this record | |||||
Author | Xu, W.; Peeters, F.M.; Devreese, J.T. | ||||
Title | Warm-electron transport in a two-dimensional semiconductor | Type | A1 Journal article | ||
Year | 1992 | Publication | Semiconductor science and technology | Abbreviated Journal | Semicond Sci Tech |
Volume | 7 | Issue | Pages | 1251-1256 | |
Keywords | A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | A1992JT73000006 | Publication Date | 0000-00-00 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0268-1242 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.19 | Times cited ![]() |
3 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:2915 | Serial | 3903 | ||
Permanent link to this record | |||||
Author | Wang, W.; Bogaerts, A. | ||||
Title | Effective ionisation coefficients and critical breakdown electric field of CO2at elevated temperature: effect of excited states and ion kinetics | Type | A1 Journal article | ||
Year | 2016 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 25 | Issue | 25 | Pages | 055025 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Electrical breakdown by the application of an electric field occurs more easily in hot gases than in cold gases because of the extra electron-species interactions that occur as a result of dissociation, ionization and excitation at higher temperature. This paper discusses some overlooked physics and clarifies inaccuracies in the evaluation of the effective ionization coefficients and the critical reduced breakdown electric field of CO2 at elevated temperature, considering the influence of excited states and ion kinetics. The critical reduced breakdown electric field is obtained by balancing electron generation and loss mechanisms using the electron energy distribution function (EEDF) derived from the Boltzmann transport equation under the two-term approximation. The equilibrium compositions of the hot gas mixtures are determined based on Gibbs free energy minimization considering the ground states as well as vibrationally and electronically excited states as independent species, which follow a Boltzmann distribution with a fixed excitation temperature. The interaction cross sections between electrons and the excited species, not reported previously, are properly taken into account. Furthermore, the ion kinetics, including electron–ion recombination, associative electron detachment, charge transfer and ion conversion into stable negative ion clusters, are also considered. Our results indicate that the excited species lead to a greater population of high-energy electrons at higher gas temperature and this affects the Townsend rate coefficients (i.e. of electron impact ionization and attachment), but the critical reduced breakdown electric field strength of CO2 is only affected when also properly accounting for the ion kinetics. Indeed, the latter greatly influences the effective ionization coefficients and hence the critical reduced breakdown electric field at temperatures above 1500 K. The rapid increase of the dissociative electron attachment cross-section of molecular oxygen with rising vibrational quantum number leads to a larger electron loss rate and this enhances the critical reduced breakdown electric field strength in the temperature range where the concentration of molecular oxygen is relatively high. The results obtained in this work show reasonable agreement with experimental results from literature, and are important for the evaluation of the dielectric strength of CO2 in a highly reactive environment at elevated temperature. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000385494000006 | Publication Date | 2016-09-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1361-6595 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited ![]() |
3 | Open Access | |
Notes | Skłodowska-Curie Individual Fellowship ‘GlidArc’ within Horizon2020 (Grant No.657304) and the FWO project (grant G.0383.16N). 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 Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. | Approved | Most recent IF: 3.302 | ||
Call Number | PLASMANT @ plasmant @ c:irua:135515 | Serial | 4281 | ||
Permanent link to this record | |||||
Author | Wang, W.; Berthelot, A.; Kolev, S.; Tu, X.; Bogaerts, A. | ||||
Title | CO2 conversion in a gliding arc plasma: 1D cylindrical discharge model | Type | A1 Journal article | ||
Year | 2016 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 25 | Issue | 25 | Pages | 065012 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | CO 2 conversion by a gliding arc plasma is gaining increasing interest, but the underlying mechanisms for an energy-efficient process are still far from understood. Indeed, the chemical complexity of the non-equilibrium plasma poses a challenge for plasma modeling due to the huge computational load. In this paper, a one-dimensional (1D) gliding arc model is developed in a cylindrical frame, with a detailed non-equilibrium CO 2 plasma chemistry set, including the CO 2 vibrational kinetics up to the dissociation limit. The model solves a set of time- dependent continuity equations based on the chemical reactions, as well as the electron energy balance equation, and it assumes quasi-neutrality in the plasma. The loss of plasma species and heat due to convection by the transverse gas flow is accounted for by using a characteristic frequency of convective cooling, which depends on the gliding arc radius, the relative velocity of the gas flow with respect to the arc and on the arc elongation rate. The calculated values for plasma density and plasma temperature within this work are comparable with experimental data on gliding arc plasma reactors in the literature. Our calculation results indicate that excitation to the vibrational levels promotes efficient dissociation in the gliding arc, and this is consistent with experimental investigations of the gliding arc based CO 2 conversion in the literature. Additionally, the dissociation of CO 2 through collisions with O atoms has the largest contribution to CO 2 splitting under the conditions studied. In addition to the above results, we also demonstrate that lumping the CO 2 vibrational states can bring a significant reduction of the computational load. The latter opens up the way for 2D or 3D models with an accurate description of the CO 2 vibrational kinetics. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000386605100002 | Publication Date | 2016-10-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1361-6595 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited ![]() |
3 | Open Access | |
Notes | This research was supported by the European Marie Skłodowska-Curie Individual Fellowship ‘GlidArc’ within Horizon2020 (Grant No. 657304) and by the FWO project (grant G.0383.16N). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. | Approved | Most recent IF: 3.302 | ||
Call Number | PLASMANT @ plasmant @ c:irua:135990 | Serial | 4286 | ||
Permanent link to this record | |||||
Author | Jalabert, D.; Pelloux-Gervais, D.; Béché, A.; Hartmann, J.M.; Gergaud, P.; Rouvière, J.L.; Canut, B. | ||||
Title | Depth strain profile with sub-nm resolution in a thin silicon film using medium energy ion scattering | Type | A1 Journal article | ||
Year | 2012 | Publication | Physica Status Solidi A-Applications And Materials Science | Abbreviated Journal | Phys Status Solidi A |
Volume | 209 | Issue | 2 | Pages | 265-267 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The depth strain profile in silicon from the Si (001) substrate to the surface of a 2 nm thick Si/12 nm thick SiGe/bulk Si heterostructure has been determined by medium energy ion scattering (MEIS). It shows with sub-nanometer resolution and high strain sensitivity that the thin Si cap presents residual compressive strain caused by Ge diffusion coming from the fully strained SiGe layer underneath. The strain state of the SiGe buffer have been checked by X-ray diffraction (XRD) and nano-beam electron diffraction (NBED) measurements. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000303382700005 | Publication Date | 2011-11-11 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1862-6300; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.775 | Times cited ![]() |
3 | Open Access | |
Notes | Approved | Most recent IF: 1.775; 2012 IF: 1.469 | |||
Call Number | UA @ lucian @ c:irua:136430 | Serial | 4497 | ||
Permanent link to this record | |||||
Author | Aussems, D.U.B.; Bal, K. M.; Morgan, T.W.; van de Sanden, M.C.M.; Neyts, E.C. | ||||
Title | Atomistic simulations of graphite etching at realistic time scales | Type | A1 Journal article | ||
Year | 2017 | Publication | Chemical science | Abbreviated Journal | Chem Sci |
Volume | 8 | Issue | 10 | Pages | 7160-7168 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Hydrogen–graphite interactions are relevant to a wide variety of applications, ranging from astrophysics to fusion devices and nano-electronics. In order to shed light on these interactions, atomistic simulation using Molecular Dynamics (MD) has been shown to be an invaluable tool. It suffers, however, from severe timescale limitations. In this work we apply the recently developed Collective Variable-Driven Hyperdynamics (CVHD) method to hydrogen etching of graphite for varying inter-impact times up to a realistic value of 1 ms, which corresponds to a flux of 1020 m2 s1. The results show that the erosion yield, hydrogen surface coverage and species distribution are significantly affected by the time between impacts. This can be explained by the higher probability of C–C bond breaking due to the prolonged exposure to thermal stress and the subsequent transition from ion- to thermal-induced etching. This latter regime of thermal-induced etching – chemical erosion – is here accessed for the first time using atomistic simulations. In conclusion, this study demonstrates that accounting for long time-scales significantly affects ion bombardment simulations and should not be neglected in a wide range of conditions, in contrast to what is typically assumed. |
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Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000411730500055 | Publication Date | 2017-08-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2041-6520 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.668 | Times cited ![]() |
3 | Open Access | OpenAccess |
Notes | DIFFER is part of the Netherlands Organisation for Scientic Research (NWO). K. M. B. is funded as a PhD fellow (aspirant) of the FWO-Flanders (Fund for Scientic Research-Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government – department EWI. | Approved | Most recent IF: 8.668 | ||
Call Number | PLASMANT @ plasmant @c:irua:145519 | Serial | 4707 | ||
Permanent link to this record | |||||
Author | Gonzalez-Garcia, A.; Lopez-Perez, W.; Rivera-Julio, J.; Peeters, F.M.; Mendoza-Estrada, V.; Gonzalez-Hernandez, R. | ||||
Title | Structural, mechanical and electronic properties of two-dimensional structure of III-arsenide (111) binary compounds: An ab-initio study | Type | A1 Journal article | ||
Year | 2018 | Publication | Computational materials science | Abbreviated Journal | Comp Mater Sci |
Volume | 144 | Issue | 144 | Pages | 285-293 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Structural, mechanical and electronic properties of two-dimensional single-layer hexagonal structures in the (111) crystal plane of IIIAs-ZnS systems (III = B, Ga and In) are studied by first-principles calculations based on density functional theory (DFT). Elastic and phonon dispersion relation display that 2D h-IIIAs systems (III = B, Ga and In) are both mechanical and dynamically stable. Electronic structures analysis show that the semiconducting nature of the 3D-IIIAs compounds is retained by their 2D single layer counterpart. Furthermore, density of states reveals the influence of sigma and pi bonding in the most stable geometry (planar or buckled) for 2D h-IIIAs systems. Calculations of elastic constants show that the Young's modulus, bulk modulus and shear modulus decrease for 2D h-IIIAs binary compounds as we move down on the group of elements of the periodic table. In addition, as the bond length between the neighboring cation-anion atoms increases, the 2D h-IIIAs binary compounds display less stiffness and more plasticity. Our findings can be used to understand the contribution of the r and p bonding in the most stable geometry (planar or buckled) for 2D h-IIIAs systems. Structural and electronic properties of h-IIIAs systems as a function of the number of layers have been also studied. It is shown that h-BAs keeps its planar geometry while both h-GAs and h-InAs retained their buckled ones obtained by their single layers. Bilayer h-IIIAs present the same bandgap nature of their counterpart in 3D. As the number of layers increase from 2 to 4, the bandgap width for layered h-IIIAs decreases until they become semimetal or metal. Interestingly, these results are different to those found for layered h-GaN. The results presented in this study for single and few-layer h-IIIAs structures could give some physical insights for further theoretical and experimental studies of 2D h-IIIV-like systems. (C) 2017 Elsevier B.V. All rights reserved. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000424902300036 | Publication Date | 2017-12-29 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0927-0256 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.292 | Times cited ![]() |
3 | Open Access | |
Notes | ; This work has been carried out by the financial support of Universidad del Norte and Colciencias (Administrative Department of Science, Technology and Research of Colombia) under Convocatoria 712 – Convocatoria para proyectos de investigacion en Ciencias Basicas, ano 2015, Cod: 121571250192, Contrato 110-216. ; | Approved | Most recent IF: 2.292 | ||
Call Number | UA @ lucian @ c:irua:149897UA @ admin @ c:irua:149897 | Serial | 4949 | ||
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Author | Zhang, Q.-Z.; Bogaerts, A. | ||||
Title | Plasma streamer propagation in structured catalysts | Type | A1 Journal Article | ||
Year | 2018 | Publication | Plasma Sources Science & Technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 27 | Issue | 10 | Pages | 105013 |
Keywords | A1 Journal Article; plasma catalysis, streamer propagation, 3D structures, PIC/MCC; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract | Plasma catalysis is gaining increasing interest for various environmental applications. Catalytic material can be inserted in different shapes in the plasma, e.g., as pellets, (coated) beads, but also as honeycomb monolith and 3DFD structures, also called ‘structured catalysts’, which have high mass and heat transfer properties. In this work, we examine the streamer discharge propagation and the interaction between plasma and catalysts, inside the channels of such structured catalysts, by means of a two-dimensional particle-in-cell/Monte Carlo collision model. Our results reveal that plasma streamers behave differently in various structured catalysts. In case of a honeycomb structure, the streamers are limited to only one channel, with low or high plasma density when the channels are parallel or perpendicular to the electrodes, respectively. In contrast, in case of a 3DFD structure, the streamers can distribute to different channels, causing discharge enhancement due to surface charging on the dielectric walls of the structured catalyst, and especially giving rise to a broader plasma distribution. The latter should be beneficial for plasma catalysis applications, as it allows a larger catalyst surface area to be exposed to the plasma. |
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000448131900002 | Publication Date | 2018-10-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1361-6595 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited ![]() |
3 | Open Access | Not_Open_Access |
Notes | We acknowledge financial support from the European Marie Skłodowska-Curie Individual Fellowship within H2020 (Grant Agreement 702604). This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. | Approved | Most recent IF: 3.302 | ||
Call Number | PLASMANT @ plasmant @c:irua:155510 | Serial | 5068 | ||
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Author | Kontogiannidou, E.; Karavasili, C.; Kouskoura, M.G.; Filippousi, M.; Van Tendeloo, G.; Andreadis, I.I.; Eleftheriadis, G.K.; Kontopoulou, I.; Markopoulou, C.K.; Bouropoulos, N.; Fatouros, D.G. | ||||
Title | In vitro and ex vivo assessment of microporous Faujasite zeolite (NaX-FAU) as a carrier for the oral delivery of danazol | Type | A1 Journal article | ||
Year | 2019 | Publication | Journal of drug delivery science and technology | Abbreviated Journal | J Drug Deliv Sci Tec |
Volume | 51 | Issue | 51 | Pages | 177-184 |
Keywords | A1 Journal article; Pharmacology. Therapy; Electron microscopy for materials research (EMAT) | ||||
Abstract | Microporous zeolite NaX-FAU has been systemically evaluated for the oral delivery of the poorly water-soluble compound danazol. For this purpose, danazol-loaded zeolitic particles were prepared by the incipient wetness method and were characterized by means of N-2 physisorption, X-ray diffraction (XRD), differential scanning calorimetry (DSC), thermogravimetric analysis (TGA) and high-resolution transmission electron microscopy (HRTEM). The zeolitic formulation shows a high drug payload and drug stability over a period of six months under accelerated storage conditions. The dissolution profile of danazol-loaded zeolitic particles was assessed in simulated gastric fluid (SGF) pH 1.2; fasted state simulated intestinal fluids (FaSSIF) and fed state simulated intestinal fluid (FeSSIF) showing a gradual and increasing drug dissolution in the different media. Ex vivo studies using the everted gut sac model show an increased drug transport across rat intestinal epithelium when loaded in the zeolitic particles. Our results suggest that microporous Faujasite zeolite (NaX-FAU) could be used as a drug delivery system to facilitate the oral delivery of poorly water soluble compounds. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000468750300018 | Publication Date | 2019-03-04 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1773-2247; 2588-8943 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.194 | Times cited ![]() |
3 | Open Access | Not_Open_Access: Available from 27.08.2020 |
Notes | ; This research was supported by General Secretariat for Research and Technology, Greece – Research Program “Excellence II, 4766”. The authors acknowledge financial support from the European Union under the Seventh Framework Program (Integrated Infrastructure Initiative No. 262348 European Soft Matter Infrastructure, ESMI). ; | Approved | Most recent IF: 1.194 | ||
Call Number | UA @ admin @ c:irua:160279 | Serial | 5252 | ||
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Author | Brault, P.; Chamorro-Coral, W.; Chuon, S.; Caillard, A.; Bauchire, J.-M.; Baranton, S.; Coutanceau, C.; Neyts, E. | ||||
Title | Molecular dynamics simulations of initial Pd and PdO nanocluster growth in a magnetron gas aggregation source | Type | A1 Journal article | ||
Year | 2019 | Publication | Frontiers of Chemical Science and Engineering | Abbreviated Journal | Front Chem Sci Eng |
Volume | 13 | Issue | 2 | Pages | 324-329 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Molecular dynamics simulations are carried out for describing growth of Pd and PdO nanoclusters using the ReaxFF force field. The resulting nanocluster structures are successfully compared to those of nanoclusters experimentally grown in a gas aggregation source. The PdO structure is quasi-crystalline as revealed by high resolution transmission microscope analysis for experimental PdO nanoclusters. The role of the nanocluster temperature in the molecular dynamics simulated growth is highlighted. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000468848400009 | Publication Date | 2019-03-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2095-0179 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.712 | Times cited ![]() |
3 | Open Access | Not_Open_Access |
Notes | Approved | Most recent IF: 1.712 | |||
Call Number | UA @ admin @ c:irua:160278 | Serial | 5276 | ||
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