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Author | Smolders, S.; Willhammar, T.; Krajnc, A.; Şentosun, K.; Wharmby, M.T.; Lomachenko, K.A.; Bals, S.; Mali, G.; Roeffaers, M.B.J.; De Vos, D.E.; Bueken, B. | ||||
Title | A titanium(IV)-based metal-organic framework featuring defect-rich Ti-O sheets as an oxidative desulfurization catalyst | Type | A1 Journal article | ||
Year | 2019 | Publication | Angewandte Chemie: international edition in English | Abbreviated Journal | Angew Chem Int Edit |
Volume | 58 | Issue | 58 | Pages | 9160-9165 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | While titanium-based metal-organic frameworks (MOFs) have been widely studied for their (photo) catalytic potential, only a few Ti-IV MOFs have been reported owing to the high reactivity of the employed titanium precursors. The synthesis of COK-47 is now presented, the first Ti carboxylate MOF based on sheets of (TiO6)-O-IV octahedra, which can be synthesized with a range of different linkers. COK-47 can be synthesized as an inherently defective nanoparticulate material, rendering it a highly efficient catalyst for the oxidation of thiophenes. Its structure was determined by continuous rotation electron diffraction and studied in depth by X-ray total scattering, EXAFS, and solid-state NMR. Furthermore, its photoactivity was investigated by electron paramagnetic resonance and demonstrated by catalytic photodegradation of rhodamine 6G. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000476691200034 | Publication Date | 2019-05-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1433-7851; 0570-0833 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 11.994 | Times cited | 97 | Open Access | Not_Open_Access |
Notes | ; S.S., B.B., and D.E.D.V. gratefully acknowledge the FWO for funding (Aspirant grant, postdoctoral grant, project funding). T.W. acknowledges a grant from the Swedish research council (VR, 2014-06948). He acknowledges financial support from the Knut and Alice Wallenberg Foundation through the project grant 3DEM-NATUR (no. 2012.0112) as well as for purchasing the TEMs. A.K. and G.M. acknowledge the financial support from the Slovenian Research Agency (research core funding No. P1-0021 and project No. N1-0079). We thank beamline I15-1 (XPDF), Diamond Light Source, for collection of X-ray total scattering data as part of the in-house research program (M.T.W.). A. Venier and O. Mathon are kindly acknowledged for the help during the XAS experiment at BM23 beamline of ESRF. We thank C. Lamberti and L. Braglia for providing the reference EXAFS spectrum of anatase. ; | Approved | Most recent IF: 11.994 | ||
Call Number | UA @ admin @ c:irua:161932 | Serial | 5382 | ||
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Author | Delmelle, R.; Amin-Ahmadi, B.; Sinnaeve, M.; Idrissi, H.; Pardoen, T.; Schryvers, D.; Proost, J. | ||||
Title | Effect of structural defects on the hydriding kinetics of nanocrystalline Pd thin films | Type | A1 Journal article | ||
Year | 2015 | Publication | International journal of hydrogen energy | Abbreviated Journal | Int J Hydrogen Energ |
Volume | 40 | Issue | 40 | Pages | 7335-7347 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | While the microstructure of a metal is well-known to affect its equilibrium hydrogen uptake and therefore the hydriding thermodynamics, microstructural effects on the hydriding kinetics are much less documented. Moreover, for thin film systems, such microstructural effects are difficult to separate from the internal stress effect, since most defects generate internal stresses. Such a decoupling has been achieved in this paper for nanocrystalline Pd thin film model systems through the use of a high-resolution, in-situ curvature measurement set-up during Pd deposition, annealing and hydriding. This set-up allowed producing Pd thin films with similar internal stress levels but significantly different microstructures. This was evidenced from detailed defect statistics obtained by transmission electron microscopy, which showed that the densities of grain boundaries, dislocations and twin boundaries have all been lowered by annealing. The same set-up was then used to study the hydriding equilibrium and kinetic behaviour of the resulting films at room temperature. A full quantitative analysis of their hydriding cycles showed that the rate constants of both the adsorption- and absorption-limited kinetic regimes were strongly affected by microstructure. Defect engineering was thereby shown to increase the rate constants for hydrogen adsorption and absorption in Pd by a factor 40 and 30, respectively. Copyright (C) 2015, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. | ||||
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Publisher | Place of Publication | Oxford | Editor | ||
Language | Wos | 000355884300012 | Publication Date | 2015-05-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0360-3199; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.582 | Times cited | 13 | Open Access | |
Notes | Iap 7/21 | Approved | Most recent IF: 3.582; 2015 IF: 3.313 | ||
Call Number | c:irua:126429 | Serial | 838 | ||
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Author | Van Dijck, J.G.; Mampuys, P.; Ching, H.Y.V.; Krishnan, D.; Baert, K.; Hauffman, T.; Verbeeck, J.; Van Doorslaer, S.; Maes, B.U.W.; Dorbec, M.; Buekenhoudt, A.; Meynen, V. | ||||
Title | Synthesis – properties correlation and the unexpected role of the titania support on the Grignard surface modification | Type | A1 Journal article | ||
Year | 2020 | Publication | Applied Surface Science | Abbreviated Journal | Appl Surf Sci |
Volume | 527 | Issue | Pages | 146851-17 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Organic synthesis (ORSY); Applied Electrochemistry & Catalysis (ELCAT) | ||||
Abstract | While the impact of reaction conditions on surface modification with Grignard reactants has been studied for silica supports, such information is absent for metal oxides like titania. Differences between modified titania and silica are observed, making it paramount to explore the reaction mechanism. A detailed study on the impact of the reaction conditions is reported, with a focus on the chain length of the alkyl Grignard reactant, its concentration, the reaction time and temperature, and the type of titania support. While the increase in the chain length reduces the amount of organic groups on the surface, the concentration, time and temperature show little/no influence on the modification degree. However, the type of titania support used and the percentage of amorphous phase present has a significant impact on the amount of grafted groups. Even though the temperature and concentration show no clear impact on the modification degree, they can cause changes in the surface hydroxyl population, which are thus not linked to the modification degree. Furthermore, the titania support is reduced during functionalization. This reduction dependents on the reaction temperature, the titania support and the chain length of the Grignard reactant. Similarly, this reduction is not linked to the modification degree. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000564205300003 | Publication Date | 2020-06-03 | |
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 | 5 | Open Access | OpenAccess |
Notes | ; The FWO (Fonds Wetenschappelijk Onderzoek) is gratefully acknowledged for the VITO-FWO grant of fellow Jeroen G. Van Dijck (11W9416N) and the financial support granted in project GO12712N. The E.U. is acknowledged for H.Y. Vincent Ching's H2020-MSCA-IF (grant number 792946, iSPY). Dileep Krishnan and Johan Verbeeck acknowledge funding from GOA project “solarpaint” of the University of Antwerp. ; | Approved | Most recent IF: 6.7; 2020 IF: 3.387 | ||
Call Number | UA @ admin @ c:irua:169722 | Serial | 6712 | ||
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Author | Hugé, J.; Rochette, Aj.; de Béthune, S.; Parra Paitan, Cc.; Vanderhaegen, K.; Vandervelden, T.; Van Passel, S.; Vanhove, Mp.m.; Verbist, B.; Verheyen, D.; Waas, T.; Janssens, I.; Janssens de Bisthoven, L. | ||||
Title | Ecosystem services assessment tools for African Biosphere Reserves: A review and user-informed classification | Type | A1 Journal Article | ||
Year | 2020 | Publication | Ecosystem Services | Abbreviated Journal | Ecosyst Serv |
Volume | 42 | Issue | Pages | 101079 | |
Keywords | A1 Journal Article; Engineering Management (ENM) ; | ||||
Abstract | While the concept of ecosystem services which links biodiversity to human wellbeing, is by now well-known, its translation into actual management decisions is still uneven. African Biosphere Reserves, which are to be living labs for sustainable development, embody the idea of synergies between people and nature. Gaining knowledge about the provision, the use and the trends of ecosystem services in these reserves is essential to ensure their global change-proof management. The diversity of rapidly evolving ecosystem services assessment tools requires a systematic and informed selection, in order to ensure that prospective tool users select the most adequate tool, aligned to their needs and context. Based on a Delphi survey of future tool users, and on a review of ecosystem services assessment tools, we propose guidance to users to select the most suited tool based on the context of African Biosphere Reserves, and on tool requirements regarding data input, necessary skills, outputs and types of ecosystem services addressed. The use of the Delphi survey and the focus on African Biosphere Reserves are new elements that contribute to the theory and practice of ecosystem services assessment. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000522223700008 | Publication Date | 2020-03-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2212-0416 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 7.6 | Times cited | Open Access | ||
Notes | The authors wish to thank all Delphi participants. The authors ac- knowledge the financial support of the UNESCO MAB Programme and the Belgian Science Policy, within the frame of the EVAMAB project; the Belgian Development Cooperation for its support to CEBioS; the KLIMOS Acropolis Research Platform funded by the Flemish Inter- University Council – University Development Cooperation VLIR UOS; the Global Minds Post-Doctoral Fellowship Program of the Vrije Universiteit Brussel and VLIR UOS. This manuscript is one of the out- puts of Work Package 1 of the EVAMAB Project (Economic valuation of ecosystem services in Biosphere Reserves: testing effective rapid as- sessment methods in selected African Biosphere Reserves). | Approved | Most recent IF: 7.6; 2020 IF: 4.072 | ||
Call Number | ENM @ enm @c:irua:167256 | Serial | 6349 | ||
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Author | Borah, R.; Ninakanti, R.; Bals, S.; Verbruggen, S.W. | ||||
Title | Plasmon resonance of gold and silver nanoparticle arrays in the Kretschmann (attenuated total reflectance) vs. direct incidence configuration | Type | A1 Journal article | ||
Year | 2022 | Publication | Scientific reports | Abbreviated Journal | Sci Rep-Uk |
Volume | 12 | Issue | 1 | Pages | 15738-19 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | While the behaviour of plasmonic solid thin films in the Kretschmann (also known as Attenuated Total Reflection, ATR) configuration is well-understood, the use of discrete nanoparticle arrays in this optical configuration is not thoroughly explored. It is important to do so, since close packed plasmonic nanoparticle arrays exhibit exceptionally strong light-matter interactions by plasmonic coupling. The present work elucidates the optical properties of plasmonic Au and Ag nanoparticle arrays in both the direct normal incidence and Kretschmann configuration by numerical models, that are validated experimentally. First, hexagonal close packed Au and Ag nanoparticle films/arrays are obtained by air–liquid interfacial assembly. The numerical models for the rigorous solution of the Maxwell’s equations are validated using experimental optical spectra of these films before systematically investigating various parameters. The individual far-field/near-field optical properties, as well as the plasmon relaxation mechanism of the nanoparticles, vary strongly as the packing density of the array increases. In the Kretschmann configuration, the evanescent fields arising from p – and s -polarized (or TM and TE polarized) incidence have different directional components. The local evanescent field intensity and direction depends on the polarization, angle of incidence and the wavelength of incidence. These factors in the Kretschmann configuration give rise to interesting far-field as well as near-field optical properties. Overall, it is shown that plasmonic nanoparticle arrays in the Kretschmann configuration facilitate strong broadband absorptance without transmission losses, and strong near-field enhancement. The results reported herein elucidate the optical properties of self-assembled nanoparticle films, pinpointing the ideal conditions under which the normal and the Kretschmann configuration can be exploited in multiple light-driven applications. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000858344700048 | Publication Date | 2022-09-21 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2045-2322 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.6 | Times cited | 11 | Open Access | OpenAccess |
Notes | R.B. acknowledges financial support from the University of Antwerp Special Research Fund (BOF) for a DOCPRO4 doctoral scholarship (Grant FN541100001). | Approved | Most recent IF: 4.6 | ||
Call Number | UA @ admin @ c:irua:190864 | Serial | 7194 | ||
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Author | Izadi, M.E.; Bal, K.M.; Maghari, A.; Neyts, E.C. | ||||
Title | Reaction mechanisms of C(3PJ) and C+(2PJ) with benzene in the interstellar medium from quantum mechanical molecular dynamics simulations | Type | A1 Journal article | ||
Year | 2021 | Publication | Physical Chemistry Chemical Physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 23 | Issue | 7 | Pages | 4205-4216 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | While spectroscopic data on small hydrocarbons in interstellar media in combination with crossed molecular beam (CMB) experiments have provided a wealth of information on astrochemically relevant species, much of the underlying mechanistic pathways of their formation remain elusive. Therefore, in this work, the chemical reaction mechanisms of C(<sup>3</sup>P<sub>J</sub>) + C<sub>6</sub>H<sub>6</sub>and C<sup>+</sup>(<sup>2</sup>P) + C<sub>6</sub>H<sub>6</sub>systems using the quantum mechanical molecular dynamics (QMMD) technique at the PBE0-D3(BJ) level of theory is investigated, mimicking a CMB experiment. Both the dynamics of the reactions as well as the electronic structure for the purpose of the reaction network are evaluated. The method is validated for the first reaction by comparison to the available experimental data. The reaction scheme for the C(<sup>3</sup>P<sub>J</sub>) + C<sub>6</sub>H<sub>6</sub>system covers the literature data,<italic>e.g.</italic>the major products are the 1,2-didehydrocycloheptatrienyl radical (C<sub>7</sub>H<sub>5</sub>) and benzocyclopropenyl radical (C<sub>6</sub>H<sub>5</sub>–CH), and it reveals the existence of less common pathways for the first time. The chemistry of the C<sup>+</sup>(<sup>2</sup>P<sub>J</sub>) + C<sub>6</sub>H<sub>6</sub>system is found to be much richer, and we have found that this is because of more exothermic reactions in this system in comparison to those in the C(<sup>3</sup>P<sub>J</sub>) + C<sub>6</sub>H<sub>6</sub>system. Moreover, using the QMMD simulation, a number of reaction paths have been revealed that produce three distinct classes of reaction products with different ring sizes. All in all, at all the collision energies and orientations, the major product is the heptagon molecular ion for the ionic system. It is also revealed that the collision orientation has a dominant effect on the reaction products in both systems, while the collision energy mostly affects the charged system. These simulations both prove the applicability of this approach to simulate crossed molecular beams, and provide fundamental information on reactions relevant for the interstellar medium. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000621595300016 | Publication Date | 2021-01-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1463-9076 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.123 | Times cited | Open Access | OpenAccess | |
Notes | Fonds Wetenschappelijk Onderzoek, 12ZI420N ; Ministry of Science Research and Technology; Universiteit Antwerpen; The financial support from the Iran Ministry of Science, Research and Technology and PLASMANT Research Group University of Antwerp is highly acknowledged by the authors. K.M.B. was funded as a junior postdoctoral fellow of the FWO (Research Foundation – Flanders), Grant 12ZI420N. The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government. | Approved | Most recent IF: 4.123 | ||
Call Number | PLASMANT @ plasmant @c:irua:176672 | Serial | 6742 | ||
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Author | Van der Paal, J.; Verlackt, C.C.; Yusupov, M.; Neyts, E.C.; Bogaerts, A. | ||||
Title | Structural modification of the skin barrier by OH radicals : a reactive molecular dynamics study for plasma medicine | Type | A1 Journal article | ||
Year | 2015 | Publication | Journal of physics: D: applied physics | Abbreviated Journal | J Phys D Appl Phys |
Volume | 48 | Issue | 48 | Pages | 155202 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | While plasma treatment of skin diseases and wound healing has been proven highly effective, the underlying mechanisms, and more generally the effect of plasma radicals on skin tissue, are not yet completely understood. In this paper, we perform ReaxFF-based reactive molecular dynamics simulations to investigate the interaction of plasma generated OH radicals with a model system composed of free fatty acids, ceramides, and cholesterol molecules. This model system is an approximation of the upper layer of the skin (stratum corneum). All interaction mechanisms observed in our simulations are initiated by H-abstraction from one of the ceramides. This reaction, in turn, often starts a cascade of other reactions, which eventually lead to the formation of aldehydes, the dissociation of ceramides or the elimination of formaldehyde, and thus eventually to the degradation of the skin barrier function. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000351856600007 | Publication Date | 2015-03-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-3727;1361-6463; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.588 | Times cited | 20 | Open Access | |
Notes | Approved | Most recent IF: 2.588; 2015 IF: 2.721 | |||
Call Number | c:irua:124230 | Serial | 3242 | ||
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Author | Neyts, E.C. | ||||
Title | The role of ions in plasma catalytic carbon nanotube growth : a review | Type | A1 Journal article | ||
Year | 2015 | Publication | Frontiers of Chemical Science and Engineering | Abbreviated Journal | Front Chem Sci Eng |
Volume | 9 | Issue | 9 | Pages | 154-162 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | While it is well-known that the plasma-enhanced catalytic chemical vapor deposition (PECVD) of carbon nanotubes (CNTs) offers a number of advantages over thermal CVD, the influence of the various individual contributing factors is not well understood. Especially the role of ions is unclear, since ions in plasmas are generally associated with sputtering rather than with growing a material. Even so, various studies have demonstrated the beneficial effects of ion bombardment during the growth of CNTs. This review looks at the role of the ions in plasma-enhanced CNT growth as deduced from both experimental and simulation studies. Specific attention is paid to the beneficial effects of ion bombardment. Based on the available literature, it can be concluded that ions can be either beneficial or detrimental for carbon nanotube growth, depending on the exact conditions and the control over the growth process. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000360319600003 | Publication Date | 2015-06-11 | |
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 | 8 | Open Access | |
Notes | Approved | Most recent IF: 1.712; 2015 IF: NA | |||
Call Number | UA @ lucian @ c:irua:127815 | Serial | 4239 | ||
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Author | Geerts, R.; Vandermoere, F.; Van Winckel, T.; Halet, D.; Joos, P.; Van Den Steen, K.; Van Meenen, E.; Blust, R.; Borregán-Ochando, E.; Vlaeminck, S.E. | ||||
Title | Bottle or tap? Toward an integrated approach to water type consumption | Type | A1 Journal article | ||
Year | 2020 | Publication | Water Research | Abbreviated Journal | Water Res |
Volume | 173 | Issue | Pages | 115578-10 | |
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Centre for Research on Environmental and Social Change | ||||
Abstract | While in many countries, people have access to cheap and safe potable tap water, the global consumption of bottled water is rising. Flanders, Belgium, where this study is located, has an exceptionally high consumption of bottled water per capita. However, in the interest of resource efficiency and global environmental challenges, the consumption of tap water is preferable. To our knowledge, an integrated analysis of the main reasons why people consume tap and bottled water is absent in Flanders, Belgium. Using Flemish survey data (N = 2309), we first compared tap and bottled water consumers through bivariate correlation analysis. Subsequently, path modelling techniques were used to further investigate these correlations. Our results show that bottled water consumption in Flanders is widespread despite environmental and financial considerations. For a large part, this is caused by negative perceptions about tap water. Many consumers consider it unhealthy, unsafe and prefer the taste of bottled water. Furthermore, we found that the broader social context often inhibits the consumption of tap water. On the one hand, improper infrastructures (e.g. lead piping) can limit access to potable tap water. On the other hand, social norms exist that promote bottled water. Lastly, results suggest that the consumption of bottled water is most common among men, older people and less educated groups. We conclude that future research and policy measures will benefit from an approach that integrates all behavioural aspects associated with water type consumption. This will enable both governments and tap water companies to devise more effective policies to manage and support tap water supply networks. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000523569000012 | Publication Date | 2020-01-31 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0043-1354 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 12.8 | Times cited | 2 | Open Access | |
Notes | ; This was supported by a grant from Water-link. ; | Approved | Most recent IF: 12.8; 2020 IF: 6.942 | ||
Call Number | UA @ admin @ c:irua:165873 | Serial | 6464 | ||
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Author | Liu, F.; Meng, J.; Xia, F.; Liu, Z.; Peng, H.; Sun, C.; Xu, L.; Van Tendeloo, G.; Mai, L.; Wu, J. | ||||
Title | Origin of the extra capacity in nitrogen-doped porous carbon nanofibers for high-performance potassium ion batteries | Type | A1 Journal article | ||
Year | 2020 | Publication | Journal Of Materials Chemistry A | Abbreviated Journal | J Mater Chem A |
Volume | 8 | Issue | 35 | Pages | 18079-18086 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | While graphite has limited capacity as an anode material for potassium-ion batteries, nitrogen-doped carbon materials are more promising as extra capacity can usually be produced. However, the mechanism behind the origin of the extra capacity remains largely unclear. Here, the potassium storage mechanisms have been systematically studied in freestanding and porous N-doped carbon nanofibers with an additional similar to 100 mA h g(-1)discharge capacity at 0.1 A g(-1). The extra capacity is generated in the whole voltage window range from 0.01 to 2 V, which corresponds to both surface/interface K-ion absorptions due to the pyridinic N and pyrrolic N induced atomic vacancies and layer-by-layer intercalation due to the effects of graphitic N. As revealed by transmission electron microscopy, the N-doped samples have a clear and enhanced K-intercalation reaction. Theoretical calculations confirmed that the micropores with pyridinic N and pyrrolic N provide extra sites to form bonds with K, resulting in the extra capacity at high voltage. The chemical absorption of K-ions occurring inside the defective graphitic layer will prompt fast diffusion of K-ions and full realization of the intercalation capacity at low voltage. The approach of preparing N-doped carbon-based materials and the mechanism revealed by this work provide directions for the development of advanced materials for efficient energy storage. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000569873400015 | Publication Date | 2020-08-03 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2050-7488; 2050-7496 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 11.9 | Times cited | 2 | Open Access | OpenAccess |
Notes | ; F. Liu and J. S. Meng contributed equally to this work. This work was supported by the National Natural Science Foundation of China (51832004 and 51521001), the National Key Research and Development Program of China (2016YFA0202603), and the Natural Science Foundation of Hubei Province (2019CFA001). The S/TEM work was performed at the Nanostructure Research Center (NRC), which is supported by the Fundamental Research Funds for the Central Universities (WUT: 2019III012GX, 2020III002GX), the State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, and the State Key Laboratory of Silicate Materials for Architectures (all of the laboratories are at Wuhan University of Technology). ; | Approved | Most recent IF: 11.9; 2020 IF: 8.867 | ||
Call Number | UA @ admin @ c:irua:172741 | Serial | 6573 | ||
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Author | Han, M.; De Clippeleir, H.; Al-Omari, A.; Wett, B.; Vlaeminck, S.E.; Bott, C.; Murthy, S. | ||||
Title | Impact of carbon to nitrogen ratio and aeration regime on mainstream deammonification | Type | A1 Journal article | ||
Year | 2016 | Publication | Water science and technology | Abbreviated Journal | |
Volume | 74 | Issue | 2 | Pages | 375-384 |
Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | While deammonification of high-strength wastewater in the sludge line of sewage treatment plants has become well established, the potential cost savings spur the development of this technology for mainstream applications. This study aimed at identifying the effect of aeration and organic carbon on the deammonification process. Two 10 L sequencing bath reactors with different aeration frequencies were operated at 25 degrees C. Real wastewater effluents from chemically enhanced primary treatment and high-rate activated sludge process were fed into the reactors with biodegradable chemical oxygen demand/nitrogen (bCOD/N) of 2.0 and 0.6, respectively. It was found that shorter aerobic solids retention time (SRT) and higher aeration frequency gave more advantages for aerobic ammonium-oxidizing bacteria (AerAOB) than nitrite oxidizing bacteria (NOB) in the system. From the kinetics study, it is shown that the affinity for oxygen is higher for NOB than for AerAOB, and higher dissolved oxygen set-point could decrease the affinity of both AerAOB and NOB communities. After 514 days of operation, it was concluded that lower organic carbon levels enhanced the activity of anoxic ammonium-oxidizing bacteria (AnAOB) over denitrifiers. As a result, the contribution of AnAOB to nitrogen removal increased from 40 to 70%. Overall, a reasonably good total removal efficiency of 66% was reached under a low bCOD/N ratio of 2.0 after adaptation. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000380765500011 | Publication Date | 2016-04-30 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 0273-1223; 1996-9732 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:135032 | Serial | 8062 | ||
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Author | Philippaerts, A.; Goossens, S.; Vermandel, W.; Tromp, M.; Turner, S.; Geboers, J.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F. | ||||
Title | Design of Ru-zeolites for hydrogen-free production of conjugated linoleic acid | Type | A1 Journal article | ||
Year | 2011 | Publication | Chemsuschem | Abbreviated Journal | Chemsuschem |
Volume | 4 | Issue | 6 | Pages | 757-767 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | While conjugated vegetable oils are currently used as additives in the drying agents of oils and paints, they are also attractive molecules for making bio-plastics. Moreover, conjugated oils will soon be accepted as nutritional additives for functional food products. While current manufacture of conjugated vegetable oils or conjugated linoleic acids (CLAs) uses a homogeneous base as isomerisation catalyst, a heterogeneous alternative is not available today. This contribution presents the direct production of CLAs over Ru supported on different zeolites, varying in topology (ZSM-5, BETA, Y), Si/Al ratio and countercation (H+, Na+, Cs+). Ru/Cs-USY, with a Si/Al ratio of 40, was identified as the most active and selective catalyst for isomerisation of methyl linoleate (cis-9,cis-12 (C18:2)) to CLA at 165 °C. Interestingly, no hydrogen pre-treatment of the catalyst or addition of hydrogen donors is required to achieve industrially relevant isomerisation productivities, namely, 0.7 g of CLA per litre of solvent per minute. Moreover, the biologically most active CLA isomers, namely, cis-9,trans-11, trans-10,cis-12 and trans-9,trans-11, were the main products, especially at low catalyst concentrations. Ex situ physicochemical characterisation with CO chemisorption, extended X-ray absorption fine structure measurements, transmission electron microscopy analysis, and temperature-programmed oxidation reveals the presence of highly dispersed RuO2 species in Ru/Cs-USY(40). | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000292214000009 | Publication Date | 2011-04-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1864-5631; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 7.226 | Times cited | 24 | Open Access | |
Notes | Fwo | Approved | Most recent IF: 7.226; 2011 IF: 6.827 | ||
Call Number | UA @ lucian @ c:irua:90352 | Serial | 660 | ||
Permanent link to this record | |||||
Author | Coghe, F.; Tirry, W.; Rabet, L.; Schryvers, D.; Van Houtte, P. | ||||
Title | Importance of twinning in static and dynamic compression of a Ti-6Al-4V titanium alloy with an equiaxed microstructure | Type | A1 Journal article | ||
Year | 2012 | Publication | Materials science and engineering: part A: structural materials: properties, microstructure and processing | Abbreviated Journal | Mat Sci Eng A-Struct |
Volume | 537 | Issue | Pages | 1-10 | |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Whereas deformation twinning is known to be an important deformation mechanism for hexagonal materials like magnesium and pure titanium, so far almost no literature exists on the twinning behaviour of the Ti-6Al-4V alloy. In this work it was shown that the activation of twinning as a deformation mechanism could have a pronounced effect on the mechanical behaviour of the Ti-6Al-4V alloy. This effect is even more pronounced under dynamic loading conditions. Transmission electron microscopy showed that only the {1 0 1 2}{1 0 1 1} tensile twin system was activated under certain loading conditions. Light-optical microscopy and electron backscatter diffraction data were afterwards used to experimentally determine the twin fractions. The importance of twinning for the texture evolution was also studied. It was shown that even small twin fractions can lead to distinct texture features, especially due to the discrete reorientation of the c-axes. The experimental results were compared to simulated results that were obtained with a viscoplastic self-consistent crystal plasticity code, after experimental validation that twinning can be reliably modelled as a unidirectional slip system. Although good agreement was obtained for the experimental and simulated stress-strain curves, the simulated results concerning twinning correlated well only on a qualitative basis as the simulated twin fractions were systematically higher than the experimental fractions. This seems to strengthen the hypothesis made by other research groups that complete grains might reorient by twinning. (C) 2011 Elsevier B.V. All rights reserved. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lausanne | Editor | ||
Language | Wos | 000301473300001 | Publication Date | 2011-12-21 | |
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 | 35 | Open Access | |
Notes | Approved | Most recent IF: 3.094; 2012 IF: 2.108 | |||
Call Number | UA @ lucian @ c:irua:97818 | Serial | 1565 | ||
Permanent link to this record | |||||
Author | Smeyers, R.; Milošević, M.V.; Covaci, L. | ||||
Title | Strong gate-tunability of flat bands in bilayer graphene due to moiré encapsulation between hBN monolayers | Type | A1 Journal article | ||
Year | 2023 | Publication | Nanoscale | Abbreviated Journal | |
Volume | 15 | Issue | 9 | Pages | 4561-4569 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
Abstract | When using hexagonal boron-nitride (hBN) as a substrate for graphene, the resulting moire pattern creates secondary Dirac points. By encapsulating a multilayer graphene within aligned hBN sheets the controlled moire stacking may offer even richer benefits. Using advanced tight-binding simulations on atomistically-relaxed heterostructures, here we show that the gap at the secondary Dirac point can be opened in selected moire-stacking configurations, and is independent of any additional vertical gating of the heterostructure. On the other hand, gating can broadly tune the gap at the principal Dirac point, and may thereby strongly compress the first moire mini-band in width against the moire-induced gap at the secondary Dirac point. We reveal that in hBN-encapsulated bilayer graphene this novel mechanism can lead to isolated bands flatter than 10 meV under moderate gating, hence presenting a convenient pathway towards electronically-controlled strongly-correlated states on demand. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000933052600001 | Publication Date | 2023-02-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2040-3364; 2040-3372 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.7 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 6.7; 2023 IF: 7.367 | |||
Call Number | UA @ admin @ c:irua:195249 | Serial | 7340 | ||
Permanent link to this record | |||||
Author | Wang, Z.; Wang, Y.B.; Yin, J.; Tovari, E.; Yang, Y.; Lin, L.; Holwill, M.; Birkbeck, J.; Perello, D.J.; Xu, S.; Zultak, J.; Gorbachev, R.V.; Kretinin, A.V.; Taniguchi, T.; Watanabe, K.; Morozov, S.V.; Andelkovic, M.; Milovanović, S.P.; Covaci, L.; Peeters, F.M.; Mishchenko, A.; Geim, A.K.; Novoselov, K.S.; Fal'ko, V.I.; Knothe, A.; Woods, C.R. | ||||
Title | Composite super-moiré lattices in double-aligned graphene heterostructures = Composite super-moire lattices in double-aligned graphene heterostructures | Type | A1 Journal article | ||
Year | 2019 | Publication | Science Advances | Abbreviated Journal | |
Volume | 5 | Issue | 12 | Pages | eaay8897 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
Abstract | When two-dimensional (2D) atomic crystals are brought into close proximity to form a van der Waals heterostructure, neighbouring crystals may influence each other's properties. Of particular interest is when the two crystals closely match and a moire pattern forms, resulting in modified electronic and excitonic spectra, crystal reconstruction, and more. Thus, moire patterns are a viable tool for controlling the properties of 2D materials. However, the difference in periodicity of the two crystals limits the reconstruction and, thus, is a barrier to the low-energy regime. Here, we present a route to spectrum reconstruction at all energies. By using graphene which is aligned to two hexagonal boron nitride layers, one can make electrons scatter in the differential moire pattern which results in spectral changes at arbitrarily low energies. Further, we demonstrate that the strength of this potential relies crucially on the atomic reconstruction of graphene within the differential moire super cell. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000505069600089 | Publication Date | 2019-12-21 | |
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 | Times cited | 71 | Open Access | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ admin @ c:irua:165754 | Serial | 6289 | ||
Permanent link to this record | |||||
Author | Xu, W.; Peeters, F.M.; Devreese, J.T. | ||||
Title | Electrophonon resonances in a quasi-two-dimensional electron system | Type | A1 Journal article | ||
Year | 1993 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 48 | Issue | 3 | Pages | 1562-1570 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems | ||||
Abstract | When the energy difference between two electric subbands in a quasi-two-dimensional electron system equals a LO-phonon energy, resonant scattering will occur. This leads to an enhancement of the scattering rate and, consequently, to a suppression of the conductivity. Changing the energy difference between the electric subbands (e.g., through a gate) leads to a series of electrophonon resonances in the conductivity. A detailed study is made of this effect for different confinement potentials. We found that the scattering processes where the emission of a phonon is involved are very important for the electrophonon resonance and that the size of the effect decreases with increasing temperature. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lancaster, Pa | Editor | ||
Language | Wos | A1993LP05000024 | Publication Date | 2002-07-27 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0163-1829;1095-3795; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.736 | Times cited | 45 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:5747 | Serial | 1022 | ||
Permanent link to this record | |||||
Author | Moldovan, D.; Peeters, F.M. | ||||
Title | Atomic Collapse in Graphene | Type | P1 Proceeding | ||
Year | 2016 | Publication | Nanomaterials For Security | Abbreviated Journal | |
Volume | Issue | Pages | 3-17 | ||
Keywords | P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract | When the charge Z of an atom exceeds the critical value of 170, it will undergo a process called atomic collapse which triggers the spontaneous creation of electron-positron pairs. The high charge requirements have prevented the observation of this phenomenon with real atomic nuclei. However, thanks to the relativistic nature of the carriers in graphene, the same physics is accessible at a much lower scale. The atomic collapse analogue in graphene is realized using artificial nuclei which can be created via the deposition of impurities on the surface of graphene or using charged vacancies. These supercritically charged artificial nuclei trap electrons in a sequence of quasi-bound states which can be observed experimentally as resonances in the local density of states. | ||||
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Corporate Author | Thesis | ||||
Publisher | Springer | Place of Publication | Dordrecht | Editor | |
Language | Wos | 000386506200001 | Publication Date | 2016-07-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 978-94-017-7593-9; 978-94-017-7591-5 | 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:138237 | Serial | 4348 | ||
Permanent link to this record | |||||
Author | Mulkers, J.; Milošević, M.V.; Van Waeyenberge, B. | ||||
Title | Cycloidal versus skyrmionic states in mesoscopic chiral magnets | Type | A1 Journal article | ||
Year | 2016 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 93 | Issue | 93 | Pages | 214405 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | When subjected to the interfacially induced Dzyaloshinskii-Moriya interaction, the ground state in thin ferromagnetic films with high perpendicular anisotropy is cycloidal. The period of this cycloidal state depends on the strength of the Dzyaloshinskii-Moriya interaction. In this work, we have studied the effect of confinement on the magnetic ground state and excited states, and we determined the phase diagram of thin strips and thin square platelets by means of micromagnetic calculations. We show that multiple cycloidal states with different periods can be stable in laterally confined films, where the period of the cycloids does not depend solely on the Dzyaloshinskii-Moriya interaction strength but also on the dimensions of the film. The more complex states comprising skyrmions are also found to be stable, though with higher energy. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000377298600006 | Publication Date | 2016-06-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.836 | Times cited | 28 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 3.836 | ||
Call Number | c:irua:133919 | Serial | 4081 | ||
Permanent link to this record | |||||
Author | Tytgat, T.; Hauchecorne, B.; Abakumov, A.M.; Smits, M.; Verbruggen, S.W.; Lenaerts, S. | ||||
Title | Photocatalytic process optimisation for ethylene oxidation | Type | A1 Journal article | ||
Year | 2012 | Publication | Chemical engineering journal | Abbreviated Journal | Chem Eng J |
Volume | 209 | Issue | Pages | 494-500 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | When studying photocatalysis it is important to consider, beside the chemical approach, the engineering part related to process optimisation. To achieve this a fixed bed photocatalytic set-up consisting of different catalyst placings, in order to vary catalyst distribution, is studied. The use of a fixed quantity of catalyst placed packed or randomly distributed in the reactor, results in an almost double degradation for the distributed catalyst. Applying this knowledge leads to an improved performance with limited use of catalyst. A reactor only half filled with catalyst leads to higher degradation performance compared to a completely filled reactor. Taking into account this simple process optimisation by better distributing the catalyst a more sustainable photocatalytic air purification process is achieved. (C) 2012 Elsevier B.V. All rights reserved. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lausanne | Editor | ||
Language | Wos | 000311190500058 | Publication Date | 2012-08-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1385-8947; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.216 | Times cited | 12 | Open Access | |
Notes | ; We are grateful for the delivered photocatalyst by Evonik as well as for the PhD grant (T. Tytgat) given by the Institute of Innovation by Science and Technology in Flanders (IWT). ; | Approved | Most recent IF: 6.216; 2012 IF: 3.473 | ||
Call Number | UA @ lucian @ c:irua:105185 | Serial | 2609 | ||
Permanent link to this record | |||||
Author | Hillen, M.; Sels, S.; Ribbens, B.; Verspeek, S.; Janssens, K.; Van der Snickt, G.; Steenackers, G. | ||||
Title | Qualitative Comparison of Lock-in Thermography (LIT) and Pulse Phase Thermography (PPT) in Mid-Wave and Long-Wave Infrared for the Inspection of Paintings | Type | A1 Journal article | ||
Year | 2023 | Publication | Applied Sciences | Abbreviated Journal | Appl Sci-Basel |
Volume | 13 | Issue | 7 | Pages | 1-13 |
Keywords | A1 Journal article; Engineering sciences. Technology; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS) | ||||
Abstract | When studying paintings with active infrared thermography (IRT), minimizing the temperature fluctuations and thermal shock during a measurement becomes important. Under these conditions, it might be beneficial to use lock-in thermography instead of the conventionally used pulse thermography (PT). This study compared the observations made with lock-in thermography (LIT) and pulse phase thermography (PPT) with halogen light excitation. Three distinctly different paintings were examined. The LIT measurements caused smaller temperature fluctuations and, overall, the phase images appeared to have a higher contrast and less noise. However, in the PPT phase images, the upper paint layer was less visible, an aspect which is of particular interest when trying to observe subsurface defects or the structure of the support. The influence of the spectral range of the cameras on the results was also investigated. All measurements were taken with a mid-wave infrared (MWIR) and long wave infrared (LWIR) camera. The results show that there is a significant number of direct reflection artifacts, caused by the use of the halogen light sources when using the MWIR camera. Adding a long-pass filter to the MWIR camera eliminated most of these artifacts. All results are presented in a side-by-side comparison. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000972133900001 | Publication Date | 2023-03-24 | |
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 | 2.7 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 2.7; 2023 IF: 1.679 | |||
Call Number | UA @ admin @ c:irua:194898 | Serial | 7333 | ||
Permanent link to this record | |||||
Author | Renard, K.; Idrissi, H.; Schryvers, D.; Jacques, P.J. | ||||
Title | Multiscale characterization of the work hardening mechanisms in Fe-Mn based TWIP steels | Type | A1 Journal article | ||
Year | 2012 | Publication | Steel research international | Abbreviated Journal | Steel Res Int |
Volume | 83 | Issue | 4 | Pages | 385-390 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | When strained in tension, high-manganese austenitic twinning induced plasticity (TWIP) steels achieve very high strength and elongation before necking. The main hypotheses available in the literature about the origin of their excellent work hardening include deformation twinning and dynamic strain ageing. In order to provide some answers, various experiments at different scales were conducted on FeMnC steels and the Fe28 wt%Mn3.5 wt%Al2.8 wt%Si alloy. At a macroscopic scale, tensile tests were performed on all the studied grades. It was shown that, though the FeMnAlSi based alloy retains very high elongation, the FeMnC steels properties are even more extraordinary. Tensile tests at different strain rates with the help of digital image correlation were also performed on the Fe20 wt%Mn1.2 wt%C steel to study the PLC effect occurring in this type of steel. It is suggested that supplementary hardening could come from reorientation of MnC pairs in the cores of the dislocations. At a microscopic scale, the Fe20 wt%Mn1.2 wt%C TWIP steel and the FeMnAlSi grade were thoroughly investigated by means of in situ TEM analysis. In the FeMnC steel, the formed twins could also lead to a composite effect, since they contain plenty of sessile dislocations. In the FeMnAlSi alloy, mechanical twins are thicker and contain fewer defects, leading to a lower work hardening than the other grade. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Verlag Stahleisen | Place of Publication | Düsseldorf | Editor | |
Language | Wos | 000302471600016 | Publication Date | 2012-02-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1611-3683; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.235 | Times cited | 12 | Open Access | |
Notes | Approved | Most recent IF: 1.235; 2012 IF: 0.493 | |||
Call Number | UA @ lucian @ c:irua:97391 | Serial | 2239 | ||
Permanent link to this record | |||||
Author | Bercx, M.; Partoens, B.; Lamoen, D. | ||||
Title | Quantitative modeling of secondary electron emission from slow-ion bombardment on semiconductors | Type | A1 Journal article | ||
Year | 2019 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 99 | Issue | 8 | Pages | 085413 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
Abstract | When slow ions incident on a surface are neutralized, the excess potential energy is passed on to an electron inside the surface, leading to emission of secondary electrons. The microscopic description of this process, as well as the calculation of the secondary electron yield, is a challenging problem due to its complexity as well as its sensitivity to surface properties. One of the first quantitative descriptions was articulated in the 1950s by Hagstrum, who based his calculation on a parametrization of the density of states of the material. In this paper, we present a model for calculating the secondary electron yield, derived from Hagstrum’s initial approach. We use first-principles density functional theory calculations to acquire the necessary input and introduce the concept of electron cascades to Hagstrum’s model in order to improve the calculated spectra, as well as remove its reliance on fitting parameters. We apply our model to He+ and Ne+ ions incident on Ge(111) and Si(111) and obtain yield spectra that match closely to the experimental results of Hagstrum. |
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Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000458367800010 | Publication Date | 2019-02-11 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.836 | Times cited | 5 | Open Access | OpenAccess |
Notes | We would like to thank Prof. D. Depla for the useful discussions on the secondary electron yield. Furthermore, we acknowledge financial support of FWO-Vlaanderen through project G.0216.14N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWOVlaanderen and the Flemish Government-department EWI. | Approved | Most recent IF: 3.836 | ||
Call Number | EMAT @ emat @UA @ admin @ c:irua:157174 | Serial | 5154 | ||
Permanent link to this record | |||||
Author | Zhao, X.N.; Xu, W.; Xiao, Y.M.; Van Duppen, B. | ||||
Title | Spin polarization in monolayer MoS₂ in the presence of proximity-induced interactions | Type | A1 Journal article | ||
Year | 2020 | Publication | International Journal Of Modern Physics C | Abbreviated Journal | Int J Mod Phys C |
Volume | 31 | Issue | 10 | Pages | 2050143 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | When monolayer (ML) MoS2 is placed on a substrate, the proximity-induced interactions such as the Rashba spin-orbit coupling (RSOC) and exchange interaction (EI) can be introduced. Thus, the electronic system can behave like a spintronic device. In this study, we present a theoretical study on how the presence of the RSCO and EI can lead to the band splitting, the lifting of the valley degeneracy and to the spin polarization in n- and p-type ML MoS2. We find that the maxima of the in-plane spin orientation in the conduction and valence bands in ML MoS2 depend on the Rashba parameter and the effective Zeeman field factor. At a fixed Rashba parameter, the minima of the split conduction band and the maxima of the split valence band along with the spin polarization in ML MoS2 can be tuned effectively by varying the effective Zeeman field factor. On the basis that the EI can be induced by placing the ML MoS2 on a ferromagnetic substrate or by magnetic doping in ML MoS2, we predict that the interesting spintronic effects can be observed in n- and p-type ML MoS2. This work can be helpful to gain an in-depth understanding of the basic physical properties of ML MoS2 for application in advanced electronic and optoelectronic devices. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000583803200009 | Publication Date | 2020-06-09 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0129-1831 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 1.9 | Times cited | Open Access | ||
Notes | ; This work was supported by the Ministry of Science and Technology of China (Grant No. 2011YQ130018), Department of Science and Technology of Yunnan Province and by the Chinese Academy of Sciences. ; | Approved | Most recent IF: 1.9; 2020 IF: 1.171 | ||
Call Number | UA @ admin @ c:irua:173635 | Serial | 6609 | ||
Permanent link to this record | |||||
Author | Gorlé, C.; van Beeck, J.; Rambaud, P. | ||||
Title | Dispersion in the wake of a rectangular building : validation of two Reynolds-averaged Navier-Stokes modelling approaches | Type | A1 Journal article | ||
Year | 2010 | Publication | Boundary-layer meteorology | Abbreviated Journal | Bound-Lay Meteorol |
Volume | 137 | Issue | 1 | Pages | 115-133 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | When modelling the turbulent dispersion of a passive tracer using Reynolds-averaged Navier-Stokes (RANS) simulations, two different approaches can be used. The first consists of solving a transport equation for a scalar, where the governing parameters are the mean velocity field and the turbulent diffusion coefficient, given by the ratio of the turbulent viscosity and the turbulent Schmidt number Sc (t) . The second approach uses a Lagrangian particle tracking algorithm, where the governing parameters are the mean velocity and the fluctuating velocity field, which is determined from the turbulence kinetic energy and the Lagrangian time T (L) . A comparison between the two approaches and wind-tunnel data for the dispersion in the wake of a rectangular building immersed in a neutral atmospheric boundary layer (ABL) is presented. Particular attention was paid to the influence of turbulence model parameters on the flow and concentration field. In addition, an approach to estimate Sc (t) and T (L) based on the calculated flow field is proposed. The results show that applying modified turbulence model constants to enable correct modelling of the ABL improves the prediction for the velocity and concentration fields when the modification is restricted to the region for which it was derived. The difference between simulated and measured concentrations is smaller than 25% or the uncertainty of the data on 76% of the points when solving the transport equation for a scalar with the proposed formulation for Sc (t) , and on 69% of the points when using the Lagrangian particle tracking with the proposed formulation for T (L) . | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Dordrecht | Editor | ||
Language | Wos | 000281712500006 | Publication Date | 2010-06-30 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0006-8314;1573-1472; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.573 | Times cited | 16 | Open Access | |
Notes | Approved | Most recent IF: 2.573; 2010 IF: 1.879 | |||
Call Number | UA @ lucian @ c:irua:95570 | Serial | 736 | ||
Permanent link to this record | |||||
Author | Desmet, N.J.S.; van Belleghem, S.; Seuntjens, P.; Bouma, T.J.; Buis, K.; Meire, P. | ||||
Title | Quantification of the impact of macrophytes on oxygen dynamics and nitrogen retention in a vegetated lowland river | Type | A1 Journal article | ||
Year | 2011 | Publication | Physics and chemistry of the earth, parts A/B/C | Abbreviated Journal | |
Volume | 36 | Issue | 12 | Pages | 479-489 |
Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | When macrophytes are growing in the river, the vegetation induces substantial changes to the water quality. Some effects are the result of direct interactions, such as photosynthetic activity or nutrient uptake, whereas others may be attributed to indirect effects of the water plants on hydrodynamics and river processes. This research focused on the direct effect of macrophytes on oxygen dynamics and nutrient cycling. Discharge, macrophyte biomass density, basic water quality, dissolved oxygen and nutrient concentrations were in situ monitored throughout the year in a lowland river (Nete catchment, Belgium). In addition, various processes were investigated in more detail in multiple ex situ experiments. The field and aquaria measurement results clearly demonstrated that aquatic plants can exert considerable impact on dissolved oxygen dynamics in a lowland river. When the river was dominated by macrophytes, dissolved oxygen concentrations varied from 5 to 10 mg l−1. Considering nutrient retention, it was shown that the investigated in-stream macrophytes could take up dissolved inorganic nitrogen (DIN) from the water column at rates of View the MathML source. And DIN fluxes towards the vegetation were found to vary from 0.03 to 0.19 g N ha−1 h−1 in spring and summer. Compared to the measured changes in DIN load over the river stretch, it means that about 313% of the DIN retention could be attributed to direct nitrogen uptake from the water by macrophytes. Yet, the role of macrophytes in rivers should not be underrated as aquatic vegetation also exerts considerable indirect effects that may have a greater impact than the direct fixation of nutrients into the plant biomass. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000295862600001 | Publication Date | 2008-06-15 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1474-7065 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:92439 | Serial | 8436 | ||
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Author | Vasylenko, A.A.; Misko, V.R. | ||||
Title | Nonlinear transport of the Wigner crystal in symmetric and asymmetric FET-like structures : nonlinear transport of the Wigner crystal on superfluid He-4 in quasi-one-dimensional channels with symmetric and asymmetric constrictions | Type | A1 Journal article | ||
Year | 2015 | Publication | European physical journal : B : condensed matter and complex systems | Abbreviated Journal | Eur Phys J B |
Volume | 88 | Issue | 88 | Pages | 105 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | When floating on a two-dimensional surface of superfluid He-4, electrons arrange themselves in two-dimensional crystalline structure known as Wigner crystal. In channels, the boundaries interfere the crystalline order and in case of very narrow channels one observes a quasi-one-dimensional (quasi-1D) Wigner crystal formed by just a few rows of electrons and, ultimately, one row in the “quantum wire” regime. Recently, the “quantum wire” regime was accessed experimentally [D.G. Rees, H. Totsuji, K. Kono, Phys. Rev. Lett. 108, 176801 (2012)] resulting in unusual transport phenomena such as, e.g., oscillations in the electron conductance. Using molecular dynamics simulations, we study the nonlinear transport of electrons in channels with various types of constrictions: single and multiple symmetric and asymmetric geometrical constrictions with varying width and length, and saddle-point-type potentials with varying gate voltage. In particular, we analyze the average particle velocity of the particles and the corresponding electron current versus the driving force or the gate voltage. We have revealed a significant difference in the dynamics for long and short constrictions: The oscillations of the average velocity of the particles for the systems with short constrictions exhibit a clear correlation with the transitions between the states with different numbers of rows of particles; on the other hand, for the systems with longer constrictions these oscillations are suppressed. The obtained results qualitatively agree with the experimental observations. Next, we propose a FET-like structure that consists of a channel with asymmetric constrictions. We show that applying a transverse bias results either in increase of the average particle velocity or in its suppression thus allowing a flexible control tool over the electron transport. The advantage of the asymmetric FET is that it does not have a gate and it allows an easy control of relatively large electron flow. Furthermore, the asymmetric device can be used for rectification of an ac-driven electron flow. Our results bring important insights into the dynamics of electrons floating on the surface of superfluid He-4 in channels with constrictions and allow the effective control over the electron transport. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Berlin | Editor | ||
Language | Wos | 000353065100002 | Publication Date | 2015-04-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1434-6028;1434-6036; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.461 | Times cited | Open Access | ||
Notes | Approved | Most recent IF: 1.461; 2015 IF: 1.345 | |||
Call Number | c:irua:125997 | Serial | 2359 | ||
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Author | Baken, S.; Sjostedt, C.; Gustafsson, J.P.; Seuntjens, P.; Desmet, N.; De Schutter, J.; Smolders, E. | ||||
Title | Characterisation of hydrous ferric oxides derived from iron-rich groundwaters and their contribution to the suspended sediment of streams | Type | A1 Journal article | ||
Year | 2013 | Publication | Applied geochemistry | Abbreviated Journal | |
Volume | 39 | Issue | Pages | 59-68 | |
Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | When Fe(II) bearing groundwaters surface in streams, particulate authigenic Fe-rich material is produced by oxidation. Such freshly precipitated Fe minerals may be transported as suspended sediment and have a profound impact on the fate of trace metals and nutrients in rivers. The objective of this study was to monitor changes in mineralogy and composition of authigenic material from its source to streams of increasing order. Groundwaters, surface waters, and suspended sediment in streams of different order were sampled in the Kleine Nete catchment (Belgium), a lowland with Fe-rich groundwaters (3.5-53.8 mg Fe/L; pH 6.3-6.9). Fresh authigenic material (>0.45 mu m) was produced by oxidising filtered (<0.45 mu m) groundwater and surface water. This material contained, on average, 44% Fe, and smaller concentrations of C, P, and Ca. Iron EXAFS (Extended X-ray Absorption Fine Structure) spectroscopy showed that the Fe was present as poorly crystalline hydrous ferric oxides with a structure similar to that of ferrihydrite. The Fe concentration in the suspended sediment samples decreased to 36-40% (stream order 2), and further to 18-26% (stream order 4 and 5). Conversely, the concentrations of organic C, Ca, Si, and trace metals increased with increasing stream order, suggesting mixing of authigenic material with suspended sediment from a different source. The Fe speciation in the suspended sediment was similar to that in fresh authigenic material, but more Fe-Fe interactions were observed, i.e. it was increasingly hydrolysed, suggesting ageing reactions. The suspended sediment in the streams of order 4 and 5 is estimated to contain between 31% and 59% of authigenic material, but more data are needed to refine this estimate. The authigenic material is an important sink for P in these streams which may alleviate the eutrophication risk in this catchment. (C) 2013 Elsevier Ltd. All rights reserved. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000327488700007 | Publication Date | 2013-10-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0883-2927 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:112769 | Serial | 7595 | ||
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Author | Longo, R.; Ferrarotti, M.; Garcia Sánchez, C.; Derudi, M.; Parente, A. | ||||
Title | Advanced turbulence models and boundary conditions for flows around different configurations of ground-mounted buildings | Type | A1 Journal article | ||
Year | 2017 | Publication | Journal of wind engineering and industrial aerodynamics | Abbreviated Journal | J Wind Eng Ind Aerod |
Volume | 167 | Issue | Pages | 160-182 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | When dealing with Atmospheric Boundary Layer (ABL) simulations, commercial computational fluid dynamics (CFD) acquires a strategic resonance. Thanks to its good compromise between accuracy of results and calculation time, RANS still represents a valid alternative to more resource-demanding methods. However, focusing on the models' performances in urban studies, LES generally outmatches RANS results, even if the former is at least one order of magnitude more expensive. Consequently, the present work aims to propose a variety of approaches meant to solve some of the major problems linked to RANS simulations and to further improve its accuracy in typical urban contexts. All of these models are capable of switching from an undisturbed flux formulation to a disturbed one through a local deviation or a marker function. For undisturbed flows, a comprehensive approach is adopted, solving the issue of the erroneous stream-wise gradients affecting the turbulent profiles. Around obstacles, Non-Linear Eddy-Viscosity closures are adopted, due to their prominent capability in capturing the anisotropy of turbulence. The purpose of this work is then to propose a new Building Influence Area concept and to offer more affordable alternatives to LES simulations without sacrificing a good grade of accuracy. | ||||
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Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000405766600013 | Publication Date | 2017-05-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0167-6105 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.049 | Times cited | 9 | Open Access | Not_Open_Access |
Notes | ; ; | Approved | Most recent IF: 2.049 | ||
Call Number | UA @ lucian @ c:irua:145191 | Serial | 4713 | ||
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Author | Gorlé, C.; van Beeck, J.; Rambaud, P.; Van Tendeloo, G. | ||||
Title | CFD modelling of small particle dispersion: the influence of the turbulence kinetic energy in the atmospheric boundary layer | Type | A1 Journal article | ||
Year | 2009 | Publication | Atmospheric environment : an international journal | Abbreviated Journal | Atmos Environ |
Volume | 43 | Issue | 3 | Pages | 673-681 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | When considering the modelling of small particle dispersion in the lower part of the Atmospheric Boundary Layer (ABL) using Reynolds Averaged Navier Stokes simulations, the particle paths depend on the velocity profile and on the turbulence kinetic energy, from which the fluctuating velocity components are derived to predict turbulent dispersion. It is therefore important to correctly reproduce the ABL, both for the velocity profile and the turbulence kinetic energy profile. For RANS simulations with the standard kå model, Richards and Hoxey (1993. Appropriate boundary conditions for computational wind engineering models using the kå turbulence model. Journal of Wind Engineering and Industrial Aerodynamics 4647, 145153.) proposed a set of boundary conditions which result in horizontally homogeneous profiles. The drawback of this method is that it assumes a constant profile of turbulence kinetic energy, which is not always consistent with field or wind tunnel measurements. Therefore, a method was developed which allows the modelling of a horizontally homogeneous turbulence kinetic energy profile that is varying with height. By comparing simulations performed with the proposed method to simulations performed with the boundary conditions described by Richards and Hoxey (1993. Appropriate boundary conditions for computational wind engineering models using the kå turbulence model. Journal of Wind Engineering and Industrial Aerodynamics 4647, 145153.), the influence of the turbulence kinetic energy on the dispersion of small particles over flat terrain is quantified. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Oxford | Editor | ||
Language | Wos | 000262737900023 | Publication Date | 2008-10-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1352-2310; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.629 | Times cited | 79 | Open Access | |
Notes | Iwt | Approved | Most recent IF: 3.629; 2009 IF: 3.139 | ||
Call Number | UA @ lucian @ c:irua:76016 | Serial | 306 | ||
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Author | de Aquino, B.R.H.; Ghorbanfekr-Kalashami, H.; Neek-Amal, M.; Peeters, F.M. | ||||
Title | Ionized water confined in graphene nanochannels | Type | A1 Journal article | ||
Year | 2019 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 21 | Issue | 18 | Pages | 9285-9295 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | When confined between graphene layers, water behaves differently from the bulk and exhibits unusual properties such as fast water flow and ordering into a crystal. The hydrogen-bonded network is affected by the limited space and by the characteristics of the confining walls. The presence of an extraordinary number of hydronium and hydroxide ions in narrow channels has the following effects: (i) they affect water permeation through the channel, (ii) they may interact with functional groups on the graphene oxide surface and on the edges, and (iii) they change the thermochemistry of water, which are fundamentally important to understand, especially when confined water is subjected to an external electric field. Here we study the physical properties of water when confined between two graphene sheets and containing hydronium and hydroxide. We found that: (i) there is a disruption in the solvation structure of the ions, which is also affected by the layered structure of confined water, (ii) hydronium and hydroxide occupy specific regions inside the nanochannel, with a prevalence of hydronium (hydroxide) ions at the edges (interior), and (iii) ions recombine more slowly in confined systems than in bulk water, with the recombination process depending on the channel height and commensurability between the size of the molecules and the nanochannel height – a decay of 20% (40%) in the number of ions in 8 ps is observed for a channel height of h = 7 angstrom (bulk water). Our work reveals distinctive properties of water confined in a nanocapillary in the presence of additional hydronium and hydroxide ions. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000472922500028 | Publication Date | 2019-03-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1463-9076; 1463-9084 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.123 | Times cited | 10 | Open Access | |
Notes | ; This work was supported by the Fund for Scientific Research Flanders (FWO-Vl) and the Methusalem programe. ; | Approved | Most recent IF: 4.123 | ||
Call Number | UA @ admin @ c:irua:161377 | Serial | 5419 | ||
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