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| Author | Croitoru, M.D.; van Dyck, D.; Van Aert, S.; Bals, S.; Verbeeck, J. | ||||
| Title | An efficient way of including thermal diffuse scattering in simulation of scanning transmission electron microscopic images | Type | A1 Journal article | ||
| Year | 2006 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | 106 | Issue | 10 | Pages | 933-940 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Vision lab | ||||
| Abstract | We propose an improved image simulation procedure for atomic-resolution annular dark-field scanning transmission electron microscopy (STEM) based on the multislice formulation, which takes thermal diffuse scattering fully into account. The improvement with regard to the classical frozen phonon approach is realized by separating the lattice configuration statistics from the dynamical scattering so as to avoid repetitive calculations. As an example, the influence of phonon scattering on the image contrast is calculated and investigated. STEM image simulation of crystals can be applied with reasonable computing times to problems involving a large number of atoms and thick or large supercells. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000240397200006 | Publication Date | 2006-05-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0304-3991; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor  |
2.843 | Times cited | 18 | Open Access | |
| Notes | Fwo; Fwo-V | Approved | Most recent IF: 2.843; 2006 IF: 1.706 | ||
| Call Number | UA @ lucian @ c:irua:87604UA @ admin @ c:irua:87604 | Serial | 876 | ||
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| Author | Bogaerts, A.; Bultinck, E.; Eckert, M.; Georgieva, V.; Mao, M.; Neyts, E.; Schwaederlé, L. | ||||
| Title | Computer modeling of plasmas and plasma-surface interactions | Type | A1 Journal article | ||
| Year | 2009 | Publication | Plasma processes and polymers | Abbreviated Journal | Plasma Process Polym |
| Volume | 6 | Issue | 5 | Pages | 295-307 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | In this paper, an overview is given of different modeling approaches used for describing gas discharge plasmas, as well as plasma-surface interactions. A fluid model is illustrated for describing the detailed plasma chemistry in capacitively coupled rf discharges. The strengths and limitations of Monte Carlo simulations and of a particle-in-cell-Monte Carlo collisions model are explained for a magnetron discharge, whereas the capabilities of a hybrid Monte Carlo-fluid approach are illustrated for a direct current glow discharge used for spectrochemical analysis of materials. Finally, some examples of molecular dynamics simulations, for the purpose of plasma-deposition, are given. | ||||
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| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000266471800003 | Publication Date | 2009-04-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1612-8850;1612-8869; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor |
2.846 | Times cited | 18 | Open Access | |
| Notes | Approved | Most recent IF: 2.846; 2009 IF: 4.037 | |||
| Call Number | UA @ lucian @ c:irua:76833 | Serial | 461 | ||
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| Author | Yusupov, M.; Neyts, E.C.; Verlackt, C.C.; Khalilov, U.; van Duin, A.C.T.; Bogaerts, A. | ||||
| Title | Inactivation of the endotoxic biomolecule lipid A by oxygen plasma species : a reactive molecular dynamics study | Type | A1 Journal article | ||
| Year | 2015 | Publication | Plasma processes and polymers | Abbreviated Journal | Plasma Process Polym |
| Volume | 12 | Issue | 12 | Pages | 162-171 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Reactive molecular dynamics simulations are performed to study the interaction of reactive oxygen species, such as OH, HO2 and H2O2, with the endotoxic biomolecule lipid A of the gram-negative bacterium Escherichia coli. It is found that the aforementioned plasma species can destroy the lipid A, which consequently results in reducing its toxic activity. All bond dissociation events are initiated by hydrogen-abstraction reactions. However, the mechanisms behind these dissociations are dependent on the impinging plasma species, i.e. a clear difference is observed in the mechanisms upon impact of HO2 radicals and H2O2 molecules on one hand and OH radicals on the other hand. Our simulation results are in good agreement with experimental observations. | ||||
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| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000350275400005 | Publication Date | 2014-09-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1612-8850; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor |
2.846 | Times cited | 18 | Open Access | |
| Notes | Approved | Most recent IF: 2.846; 2015 IF: 2.453 | |||
| Call Number | c:irua:123540 | Serial | 1589 | ||
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| Author | Ang, F.; Van Passel, S. | ||||
| Title | The sustainable value approach : a clarifying and constructive comment | Type | A1 Journal article | ||
| Year | 2010 | Publication | Ecological Economics | Abbreviated Journal | Ecol Econ |
| Volume | 69 | Issue | 12 | Pages | 2303-2306 |
| Keywords | A1 Journal article; Economics | ||||
| Abstract | Recently, the original benchmarking methodology of the Sustainable Value approach became subjected to serious debate. While Kuosmanen and Kuosmanen (2009b) critically question its validity introducing productive efficiency theory, Figge and Hahn (2009) put forward that the implementation of productive efficiency theory severely conflicts with the original financial economics perspective of the Sustainable Value approach. We argue that the debate is very confusing because the original Sustainable Value approach presents two largely incompatible objectives. Nevertheless, we maintain that both ways of benchmarking could provide useful and moreover complementary insights. If one intends to present the overall resource efficiency of the firm from the investor's viewpoint, we recommend the original benchmarking methodology. If one on the other hand aspires to create a prescriptive tool setting up some sort of reallocation scheme, we advocate implementation of the productive efficiency theory. Although the discussion on benchmark application is certainly substantial, we should avoid the debate to become accordingly narrowed. Next to the benchmark concern, we see several other challenges considering the development of the Sustainable Value approach: (1) a more systematic resource selection, (2) the inclusion of the value chain and (3) additional analyses related to policy in order to increase interpretative power. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000283700900001 | Publication Date | 2010-07-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0921-8009; 1873-6106 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles | |
| Impact Factor |
2.965 | Times cited | 18 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 2.965; 2010 IF: 2.754 | ||
| Call Number | UA @ admin @ c:irua:136760 | Serial | 6258 | ||
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| Author | Janssens, K.; van der Snickt, G.; Alfeld, M.; Noble, P.; van Loon, A.; Delaney, J.; Conover, D.; Zeibel, J.; Dik, J. | ||||
| Title | Rembrandt's 'Saul and David' (c. 1652) : use of multiple types of smalt evidenced by means of non-destructive imaging | Type | A1 Journal article | ||
| Year | 2016 | Publication | Microchemical journal | Abbreviated Journal | Microchem J |
| Volume | 126 | Issue | Pages | 515-523 | |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | The painting Saul and David, considered to date from c. 1652 and previously attributed to Rembrandt van Rijn and/or his studio, is a complex work of art that has been recently subjected to intensive investigation and conservation treatment. The goal of the research was to give insight into the painting's physical construction and condition in preparation for conservation treatment. It was also anticipated that analysis would shed light on authenticity questions and Rembrandt's role in the creation of the painting. The painting depicts the Old Testament figures of King Saul and David. At left is Saul, seated, holding a spear and wiping a tear from his eye with a curtain. David kneels before him at the right playing his harp. In the past, the large sections with the life-size figures were cut apart and later reassembled. A third piece of canvas was added to replace a missing piece of canvas above the head of David. As part of the investigation into the authenticity of the curtain area, a number of paint micro samples were examined with LM and SEM-EDX. Given that the earth, smalt and lake pigments used in the painting could not be imaged with traditional imaging techniques, the entire painting was also examined with state of the art non-destructive imaging techniques. Special attention was devoted to the presence of cobalt-containing materials, specifically the blue glass pigment smalt considered characteristic for the late Rembrandt. A combination of quantitative electron microprobe analysis and macroscopic X-ray fluorescence scanning revealed that three types of cobalt-containing materials are present in the painting. The first type is a cobalt drier that was found in the overpaint used to cover up the canvas inset and the joins that were added in the 19th century. The other two Co-containing materials are part of the original paint used by Rembrandt and comprise two varieties of smalt, a K-rich glass pigment that derives its gray-blue color by doping with Co-ions. Smalt paint with a higher Ni content (NiO:CoO ratio of around 1:4) was used to depict the blue stripes in Saul's colorful turban, while smalt with a lower Ni content was employed (NiO:CoO ratio of around 1:5) for the broad expanses of Saul's garments. The presence of two types of smalt not only supports the recent re-attribution of the painting to Rembrandt, but also that the picture was painted in two phases. Saul's dark red garment is painted in a rough, “loose” manner and the now discolored smalt-rich layer was found to have been partially removed during a past restoration treatment/s. In contrast, the blue-green smalt in the turban is much better preserved and provides a colorful accent. While the use of different types of smalt in a Rembrandt painting has been previously identified using quantitative EDX analysis of paint cross-sections, to the best of our knowledge this is the first time such a distinction has been observed in a 17th-century painting using non-destructive imaging techniques. In addition to the XRF-based non-invasive elemental mapping, hyperspectral imaging in the visual to near-infrared (VNIR) region was also carried out. (C) 2016 Elsevier B.V. All rights reserved. | ||||
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| Language | Wos | 000373647500063 | Publication Date | 2016-01-29 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0026-265x; 0026-265x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor |
3.034 | Times cited | 18 | Open Access | |
| Notes | ; This research is part of the ReVisualising late Rembrandt: Developing and Applying New Imaging Techniques research project, supported by the Science4Arts research program of the Netherlands Organisation for Scientific Research (NWO, The Hague, NL, ReVisRembrandt project) and the National Science Foundation (NSF, Washington DC, USA, award 1041827). We would like to thank colleagues of the Mauritshuis (The Hague, NL) and the Dutch Cultural Heritage Agency (RCE) in Rijswijk, NL for their support and assistance during the scanning of the Saul and David painting. The GOA project “SOLARPAINT” (University of Antwerp) and the Fund Baillet Latour (Brussels, B) are acknowledged for financial support to GvdS and KJ. We also like to acknowledge the help of Eliza Longhini and Stijn Legrand during some of the XRF scanning stages. ; | Approved | Most recent IF: 3.034 | ||
| Call Number | UA @ admin @ c:irua:133258 | Serial | 5813 | ||
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| Author | Maes, D.; Van Passel, S. | ||||
| Title | Advantages and limitations of exergy indicators to assess sustainability of bioenergy and biobased materials | Type | A1 Journal article | ||
| Year | 2014 | Publication | Environmental Impact Assessment Review | Abbreviated Journal | Environ Impact Asses |
| Volume | 45 | Issue | Pages | 19-29 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) | ||||
| Abstract | Innovative bioenergy projects show a growing diversity in biomass pathways, transformation technologies and end-products, leading to complex new processes. Existing energy-based indicators are not designed to include multiple impacts and are too constrained to assess the sustainability of these processes. Alternatively, indicators based on exergy, a measure of “qualitative energy”, could allow a more holistic view. Exergy is increasingly applied in analyses of both technical and biological processes. But sustainability assessments including exergy calculations, are not very common and are not generally applicable to all types of impact. Hence it is important to frame the use of exergy for inclusion in a sustainability assessment. This paper reviews the potentials and the limitations of exergy calculations, and presents solutions for coherent aggregation with other metrics. The resulting approach is illustrated in a case study. Within the context of sustainability assessment of bioenergy, exergy is a suitable metric for the impacts that require an ecocentric interpretation, and it allows aggregation on a physical basis. The use of exergy is limited to a measurement of material and energy exchanges with the sun, biosphere and lithosphere. Exchanges involving services or human choices are to be measured in different metrics. This combination provides a more inclusive and objective sustainability assessment, especially compared to standard energy- or carbon-based indicators. Future applications of this approach in different situations are required to clarify the potential of exergy-based indicators in a sustainability context. (C) 2013 Elsevier Inc. All rights reserved. | ||||
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| Language | Wos | 000331924600003 | Publication Date | 2013-12-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0195-9255 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor |
3.094 | Times cited | 18 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 3.094; 2014 IF: 2.400 | ||
| Call Number | UA @ admin @ c:irua:127545 | Serial | 6147 | ||
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| Author | Douglas, A.; Neethling, J.H.; Santamarta, R.; Schryvers, D.; Cornish, L.A. | ||||
| Title | Unexpected ordering behaviour of Pt3Al intermetallic precipitates | Type | A1 Journal article | ||
| Year | 2007 | Publication | Journal of alloys and compounds | Abbreviated Journal | J Alloy Compd |
| Volume | 432 | Issue | 1/2 | Pages | 96-102 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000245486300024 | Publication Date | 2006-07-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0925-8388; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor |
3.133 | Times cited | 18 | Open Access | |
| Notes | Approved | Most recent IF: 3.133; 2007 IF: 1.455 | |||
| Call Number | UA @ lucian @ c:irua:64279 | Serial | 3808 | ||
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| Author | Deyneko, D.V.; Morozov, V.A.; Hadermann, J.; Savon, A.E.; Spassky, D.A.; Stefanovich, S.Y.; Belik, A.A.; Lazoryak, B.I. | ||||
| Title | A novel red Ca8.5Pb0.5Eu(PO4)7 phosphor for light emitting diodes application | Type | A1 Journal article | ||
| Year | 2015 | Publication | Journal of alloys and compounds | Abbreviated Journal | J Alloy Compd |
| Volume | 647 | Issue | 647 | Pages | 965-972 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Ca9-xPbxEu(PO4)(7) (0 <= x <= 1) solid solutions with a whitlockite-type (or beta-Ca-3(PO4)(2)-type) structure (sp.gr. R3c) were prepared by a standard solid-state method in air. Their luminescent properties under near-ultraviolet (n-UV) light were investigated. Excitation spectra of Ca9-xPbxEu(PO4)(7) showed the strongest absorption at about 395 nm, which matches well with commercially available n-UV-emitting GaN-based LED chips. Emission spectra indicated an intense red emission due to the D-5(0) -> F-7(2) transition of Eu3+, with a maximum in the intensity for Ca8.5Pb0.5Eu(PO4)(7). The emission intensity of Ca8.5Pb0.5Eu(PO4)(7) was about 1.8 times higher than that of a Ca9Eu(PO4)(7) phosphor. We suggest that the introduction of Pb2+ is an efficient approach to enhance luminescence properties of such phosphors. We clarified the influence of the Ca2+/Pb2+ substitution on intensities of three bands for the D-5(0) -> F-7(0) transition in excitation spectra of Ca9-xPbxEu(PO4)(7). In addition, we found a reversible first-order phase transition from R3c to R (3) over barc symmetry by second-harmonic generation in the range from 753 K (x = 1) to 846 K (x = 0). (C) 2015 Elsevier B.V. All rights reserved. | ||||
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| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000361156400135 | Publication Date | 2015-06-18 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0925-8388 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor |
3.133 | Times cited | 18 | Open Access | |
| Notes | Approved | Most recent IF: 3.133; 2015 IF: 2.999 | |||
| Call Number | UA @ lucian @ c:irua:128720 | Serial | 4215 | ||
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| Author | Aghaei, M.; Lindner, H.; Bogaerts, A. | ||||
| Title | Optimization of operating parameters for inductively coupled plasma mass spectrometry : a computational study | Type | A1 Journal article | ||
| Year | 2012 | Publication | Spectrochimica acta: part B : atomic spectroscopy | Abbreviated Journal | Spectrochim Acta B |
| Volume | 76 | Issue | Pages | 56-64 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | An inductively coupled plasma, connected to a mass spectrometer interface, is computationally investigated. The effect of pressure behind the sampler, injector gas flow rate, auxiliary gas flow rate, and applied power is studied. There seems to be an optimum range of injector gas flow rate for each setup which guaranties the presence and also a proper length of the central channel in the torch. Moreover, our modeling results show that for any specific purpose, it is possible to control that either only the central gas flow passes through the sampler orifice or that it is accompanied by the auxiliary gas flow. It was also found that depending on geometry, the variation of outgoing gas flow rate is much less than the variation of the injector gas flow rate and this causes a slightly higher pressure inside the torch. The general effect of increasing the applied power is a rise in the plasma temperature, which results in a higher ionization in the coil region. However, the negative effect is reducing the length of the cool central channel which is important to transfer the sample substances to the sampler. Using a proper applied power can enhance the efficiency of the system. Indeed, by changing the gas path lines, the power can control which flow (i.e., only from injector gas or also from the auxiliary gas) goes to the sampler orifice. Finally, as also reported from experiments in literature, the pressure behind the sampler has no dramatic effect on the plasma characteristics. | ||||
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| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000311008600008 | Publication Date | 2012-06-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0584-8547; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor |
3.241 | Times cited | 18 | Open Access | |
| Notes | Approved | Most recent IF: 3.241; 2012 IF: 3.141 | |||
| Call Number | UA @ lucian @ c:irua:101356 | Serial | 2488 | ||
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| Author | Van Meensel, J.; Lauwers, L.; Van Huylenbroeck, G.; Van Passel, S. | ||||
| Title | Comparing frontier methods for economic-environmental trade-off analysis | Type | A1 Journal article | ||
| Year | 2010 | Publication | European Journal Of Operational Research | Abbreviated Journal | Eur J Oper Res |
| Volume | 207 | Issue | 2 | Pages | 1027-1040 |
| Keywords | A1 Journal article; Economics | ||||
| Abstract | This paper uses a mechanistic frontier approach as a reference to evaluate the ability of conventional parametric (SFA) and non-parametric (DEA) frontier approaches for analyzing economicenvironmental trade-offs. Conventional frontier approaches are environmentally adjusted through incorporating the materials balance principle. The analysis is worked out for the Flemish pig finishing case, which is both representative and didactic. Results show that, on average, SFA and DEA yield adequate economicenvironmental trade-offs. Both methods are good estimators for technical efficiency. Cost allocative and environmental allocative efficiency scores are less robust, due to the well-known methodological advantages and disadvantages of SFA and DEA. For particular firms, SFA, DEA and the mechanistic approach may yield different economicenvironmental trade-offs. One has therefore to be careful when using conventional frontier approaches for firm-specific decision support. The mechanistic approach allows for optimizing performances per average present finisher, which is the production unit in pig finishing. Conventional frontier methods do not allow for this optimization since the number of average present finishers varies along the production functions. Since the mechanistic production function is based on underlying growth, feed uptake and mortality functions, additional firm-specific indicators can also be calculated at each point of the production function. | ||||
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| Language | Wos | 000281107200045 | Publication Date | 2010-05-25 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0377-2217 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor |
3.297 | Times cited | 18 | Open Access | |
| Notes | ; This research is funded by the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Vlaanderen). ; | Approved | Most recent IF: 3.297; 2010 IF: 2.159 | ||
| Call Number | UA @ admin @ c:irua:136761 | Serial | 6171 | ||
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| Author | Bafekry, A.; Stampfl, C.; Akgenc, B.; Ghergherehchi, M. | ||||
| Title | Control of C3N4 and C4N3 carbon nitride nanosheets' electronic and magnetic properties through embedded atoms | Type | A1 Journal article | ||
| Year | 2020 | Publication | Physical Chemistry Chemical Physics | Abbreviated Journal | Phys Chem Chem Phys |
| Volume | 22 | Issue | 4 | Pages | 2249-2261 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | In the present work, the effect of various embedded atom impurities on tuning electronic and magnetic properties of C3N4 and C4N3 nanosheets have been studied using first-principles calculations. Our calculations show that C3N4 is a semiconductor and it exhibits extraordinary electronic properties such as dilute-magnetic semiconductor (with H, F, Cl, Be, V, Fe and Co); metal (with N, P, Mg and Ca), half-metal (with Li, Na, K, Al, Sc, Cr, Mn, and Cu) and semiconductor (with O, S, B, C, Si, Ti, Ni and Zn) with the band gaps in the range of 0.3-2.0 eV depending on the species of embedded atom. The calculated electronic properties reveal that C4N3 is a half-metal and it retains half-metallic character with embedded H, O, S, F, B, N, P, Be, Mg, Al, Sc, V, Fe, Ni and Zn atoms. The substitution of Cl, C, Cr and Mn atoms create ferromagnetic-metal character in the C4N3 nanosheet, embedded Co and Cu atoms exhibit a dilute-magnetic semiconductor nature, and embedded Ti atoms result in the system becoming a semiconductor. Therefore, our results reveal the fact that the band gap and magnetism can be modified or induced by various atom impurities, thus, offering effective possibilities to tune the electronic and magnetic properties of C3N4 and C4N3 nanosheets. | ||||
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| Language | Wos | 000510729400042 | Publication Date | 2019-12-24 | |
| 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 |
3.3 | Times cited | 18 | Open Access | |
| Notes | ; This work has supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). B. Akgenc acknowledges financial support the Kirklareli University-BAP under the Project No 189 and TUBITAK ULAKBIM, High Performance and Grid Computing Center. ; | Approved | Most recent IF: 3.3; 2020 IF: 4.123 | ||
| Call Number | UA @ admin @ c:irua:166553 | Serial | 6476 | ||
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| Author | Obeid, M.M.; Stampfl, C.; Bafekry, A.; Guan, Z.; Jappor, H.R.; Nguyen, C., V; Naseri, M.; Hoat, D.M.; Hieu, N.N.; Krauklis, A.E.; Tuan V Vu; Gogova, D. | ||||
| Title | First-principles investigation of nonmetal doped single-layer BiOBr as a potential photocatalyst with a low recombination rate | Type | A1 Journal article | ||
| Year | 2020 | Publication | Physical Chemistry Chemical Physics | Abbreviated Journal | Phys Chem Chem Phys |
| Volume | 22 | Issue | 27 | Pages | 15354-15364 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Nonmetal doping is an effective approach to modify the electronic band structure and enhance the photocatalytic performance of bismuth oxyhalides. Using density functional theory, we systematically examine the fundamental properties of single-layer BiOBr doped with boron (B) and phosphorus (P) atoms. The stability of the doped models is investigated based on the formation energies, where the substitutional doping is found to be energetically more stable under O-rich conditions than under Bi-rich ones. The results showed that substitutional doping of P atoms reduced the bandgap of pristine BiOBr to a greater extent than that of boron substitution. The calculation of the effective masses reveals that B doping can render the electrons and holes of pristine BiOBr lighter and heavier, respectively, resulting in a slower recombination rate of photoexcited electron-hole pairs. Based on the results of HOMO-LUMO calculations, the introduction of B atoms tends to increase the number of photocatalytically active sites. The top of the valence band and the conduction band bottom of the B doped BiOBr monolayer match well with the water redox potentials in an acidic environment. The absorption spectra propose that B(P) doping causes a red-shift. Overall, the results predict that nonmetal-doped BiOBr monolayers have a reduced bandgap, a slow recombination rate, more catalytically active sites, enhanced optical absorption edges, and reduced work functions, which will contribute to superior photocatalytic performance. | ||||
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| Language | Wos | 000549894000018 | Publication Date | 2020-06-16 | |
| 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 |
3.3 | Times cited | 18 | Open Access | |
| Notes | ; This work was partially supported by the financial support from the Natural Science Foundation of China (Grant No. 11904203) and the Fundamental Research Funds of Shandong University (Grant No. 2019GN065). ; | Approved | Most recent IF: 3.3; 2020 IF: 4.123 | ||
| Call Number | UA @ admin @ c:irua:171235 | Serial | 6522 | ||
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| Author | Tennyson, J.; Rahimi, S.; Hill, C.; Tse, L.; Vibhakar, A.; Akello-Egwel, D.; Brown, D.B.; Dzarasova, A.; Hamilton, J.R.; Jaksch, D.; Mohr, S.; Wren-Little, K.; Bruckmeier, J.; Agarwal, A.; Bartschat, K.; Bogaerts, A.; Booth, J.-P.; Goeckner, M.J.; Hassouni, K.; Itikawa, Y.; Braams, B.J.; Krishnakumar, E.; Laricchiuta, A.; Mason, N.J.; Pandey, S.; Petrovic, Z.L.; Pu, Y.-K.; Ranjan, A.; Rauf, S.; Schulze, J.; Turner, M.M.; Ventzek, P.; Whitehead, J.C.; Yoon, J.-S. | ||||
| Title | QDB: a new database of plasma chemistries and reactions | Type | A1 Journal article | ||
| Year | 2017 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
| Volume | 26 | Issue | 26 | Pages | 055014 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | One of the most challenging and recurring problems when modeling plasmas is the lack of data on the key atomic and molecular reactions that drive plasma processes. Even when there are data for some reactions, complete and validated datasets of chemistries are rarely available. This hinders research on plasma processes and curbs development of industrial applications. The QDB project aims to address this problem by providing a platform for provision, exchange, and validation of chemistry datasets. A new data model developed for QDB is presented. QDB collates published data on both electron scattering and heavy-particle reactions. These data are formed into reaction sets, which are then validated against experimental data where possible. This process produces both complete chemistry sets and identifies key reactions that are currently unreported in the literature. Gaps in the datasets can be filled using established theoretical methods. Initial validated chemistry sets for SF6/CF4/O2 and SF6/CF4/N2/H2 are presented as examples. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000398394500001 | Publication Date | 2017-04-04 | |
| 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 | 18 | Open Access | OpenAccess |
| Notes | Approved | Most recent IF: 3.302 | |||
| Call Number | PLASMANT @ plasmant @ c:irua:142206 | Serial | 4549 | ||
| Permanent link to this record | |||||
| Author | Borovinskaya, O.; Aghaei, M.; Flamigni, L.; Hattendorf, B.; Tanner, M.; Bogaerts, A.; Günther, D. | ||||
| Title | Diffusion- and velocity-driven spatial separation of analytes from single droplets entering an ICP off-axis | Type | A1 Journal article | ||
| Year | 2014 | Publication | Journal of analytical atomic spectrometry | Abbreviated Journal | J Anal Atom Spectrom |
| Volume | 29 | Issue | 2 | Pages | 262-271 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | The reproducible temporal separation of ion signals generated from a single multi-element droplet, observed in previous studies, was investigated in detail in this work using an ICPTOFMS with high temporal resolution. It was shown that the signal peak intensities of individual elements temporally shift relative to each other only for droplets moving through the plasma off-axis. The magnitude of these shifts correlated with the vaporization temperatures of the analytes and depended on the radial position of the droplets as well as on the thermal properties and velocity profiles of the carrier gases of the ICP. The occurrence of the signal shifting was explained by a spatial separation of analytes already present in the vapor phase in the ICP from a yet unvaporized residue of the droplet. This separation is most likely driven by anisotropic diffusion of vaporized analytes towards the plasma axis and a radial velocity gradient. The proposed explanation is supported by modeling of the gas velocities inside the ICP and imaging of the atomic and ionic emissions produced from single droplets, whose patterns were sloping towards the center of the torch. The effects observed in these studies are important not only for the fundamental understanding of analyteplasma interactions but have also a direct impact on the signal intensities and stability. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000329934000006 | Publication Date | 2013-11-02 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0267-9477;1364-5544; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor |
3.379 | Times cited | 18 | Open Access | |
| Notes | Approved | Most recent IF: 3.379; 2014 IF: 3.466 | |||
| Call Number | UA @ lucian @ c:irua:112897 | Serial | 697 | ||
| Permanent link to this record | |||||
| Author | Aghaei, M.; Lindner, H.; Bogaerts, A. | ||||
| Title | Effect of a mass spectrometer interface on inductively coupled plasma characteristics : a computational study | Type | A1 Journal article | ||
| Year | 2012 | Publication | Journal of analytical atomic spectrometry | Abbreviated Journal | J Anal Atom Spectrom |
| Volume | 27 | Issue | 4 | Pages | 604-610 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | An inductively coupled plasma connected to a mass spectrometer interface (sampling cone) is computationally investigated. Typical plasma characteristics, such as gas flow velocity, plasma temperature and electron density, are calculated in two dimensions (cylindrical symmetry) and compared with and without a mass spectrometer sampling interface. The results obtained from our model compare favorably with experimental data reported in the literature. A dramatic increase in the plasma velocity is reported in the region close to the interface. Furthermore, a cooled metal interface lowers the plasma temperature and electron density on the axial channel very close to the sampling cone but the corresponding values in the off axial regions are increased. Therefore, the effect of the interface strongly depends on the measurement position. It is shown that even a small shift from the actual position of the sampler leads to a considerable change of the results. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000301496700005 | Publication Date | 2012-02-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0267-9477;1364-5544; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor |
3.379 | Times cited | 18 | Open Access | |
| Notes | Approved | Most recent IF: 3.379; 2012 IF: 3.155 | |||
| Call Number | UA @ lucian @ c:irua:97386 | Serial | 791 | ||
| Permanent link to this record | |||||
| Author | Van Holsbeke, C.; Vos, W.; van Hoorenbeeck, K.; Boudewyns, A.; Salgado, R.; Verdonck, P.R.; Ramet, J.; de Backer, J.; De Backer, W.; Verhulst, S.L. | ||||
| Title | Functional respiratory imaging as a tool to assess upper airway patency in children with obstructive sleep apnea | Type | A1 Journal article | ||
| Year | 2013 | Publication | Sleep Medicine | Abbreviated Journal | Sleep Med |
| Volume | 14 | Issue | 5 | Pages | 433-439 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP) | ||||
| Abstract | Objective: We aim to investigate if anatomical and functional properties of the upper airway using computerized 3D models derived from computed tomography (CT) scans better predict obstructive sleep apnea (OSA) severity than standard clinical markers. Methods: Consecutive children with suspected OSA underwent polysomnography, clinical assessment of upper airway patency, and a CT scan while awake. A three-dimensional (3D) reconstruction of the pharyngeal airway was built from these images, and computational fluid dynamics modeling of low inspiratory flow was performed using open-source software. Results: Thirty-three children were included (23 boys; mean age, was 6.0 +/- 3.2 y). OSA was diagnosed in 23 patients. Children with OSA had a significantly lower volume of the overlap region between tonsils and the adenoids (median volume, 1408 mm compared to 2173 mm; p = 0.04), a lower mean cross-sectional area at this location (median volume, 69.3 mm(2) compared to 114.3 mm(2); p = 0.04), and a lower minimal cross-sectional area (median volume, 17.9 mm(2) compared to 25.9 mm(2); p = 0.05). Various significant correlations were found between several imaging parameters and the severity of OSA, most pronounced for upper airway conductance (r = -0.46) (p < 0.01) for correlation between upper airway conductance and the apnea-hypopnea index. No differences or significant correlations were observed with clinical parameters of upper airway patency. Preliminary data after treatment showed that none of the patients with residual OSA had their smallest cross-sectional area located in segment 3, and this frequency was significantly lower than in their peers whose sleep study normalized (64%; p = 0.05). Conclusion: Functional imaging parameters are highly correlated with OSA severity and are a more powerful correlate than clinical scores of upper airway patency. Preliminary data also showed that we could identify differences in the upper airway of those subjects who did not benefit from a local upper airway treatment. (c) 2013 Elsevier B.V. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000318612100009 | Publication Date | 2013-03-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1389-9457; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor |
3.391 | Times cited | 18 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 3.391; 2013 IF: 3.100 | ||
| Call Number | UA @ lucian @ c:irua:109015 | Serial | 1302 | ||
| Permanent link to this record | |||||
| Author | Neek-Amal, M.; Peeters, F.M. | ||||
| Title | Effect of grain boundary on the buckling of graphene nanoribbons | Type | A1 Journal article | ||
| Year | 2012 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
| Volume | 100 | Issue | 10 | Pages | 101905-101905,4 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The buckling of graphene nano-ribbons containing a grain boundary is studied using atomistic simulations where free and supported boundary conditions are invoked. We consider the buckling transition of two kinds of grain boundaries with special symmetry. When graphene contains a large angle grain boundary with theta = 21.8 degrees, the buckling strains are larger than those of perfect graphene when the ribbons with free (supported) boundary condition are subjected to compressive tension parallel (perpendicular) to the grain boundary. This is opposite for the results of theta = 32.2 degrees. The shape of the deformations of the buckled graphene nanoribbons depends on the boundary conditions, the presence of the particular used grain boundaries, and the direction of applied in-plane compressive tension. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3692573] | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000301655500021 | Publication Date | 2012-03-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor |
3.411 | Times cited | 18 | Open Access | |
| Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; | Approved | Most recent IF: 3.411; 2012 IF: 3.794 | ||
| Call Number | UA @ lucian @ c:irua:97794 | Serial | 809 | ||
| Permanent link to this record | |||||
| Author | Milovanović, S.P.; Masir, M.R.; Peeters, F.M. | ||||
| Title | Interplay between snake and quantum edge states in a graphene Hall bar with a pn-junction | Type | A1 Journal article | ||
| Year | 2014 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
| Volume | 105 | Issue | 12 | Pages | 123507 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The magneto- and Hall resistance of a locally gated cross shaped graphene Hall bar is calculated. The edge of the top gate is placed diagonally across the center of the Hall cross. Four-probe resistance is calculated using the Landauer-Büttiker formalism, while the transmission coefficients are obtained using the non-equilibrium Green's function approach. The interplay between transport due to edge channels and snake states is investigated. When two edge channels are occupied, we predict oscillations in the Hall and the bend resistance as function of the magnetic field, which are a consequence of quantum interference between the occupied snake states. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000343004400090 | Publication Date | 2014-09-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951;1077-3118; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor |
3.411 | Times cited | 18 | Open Access | |
| Notes | This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN and the Methusalem Foundation of the Flemish government. | Approved | Most recent IF: 3.411; 2014 IF: 3.302 | ||
| Call Number | UA @ lucian @ c:irua:121119 | Serial | 1704 | ||
| Permanent link to this record | |||||
| Author | Jannis, D.; Müller-Caspary, K.; Béché, A.; Oelsner, A.; Verbeeck, J. | ||||
| Title | Spectroscopic coincidence experiments in transmission electron microscopy | Type | A1 Journal article | ||
| Year | 2019 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
| Volume | 114 | Issue | 14 | Pages | 143101 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | We demonstrate the feasibility of coincidence measurements on a conventional transmission electron microscope, revealing the temporal correlation between electron energy loss spectroscopy (EELS) and energy dispersive X-ray (EDX) spectroscopy events. We make use of a delay line detector with ps-range time resolution attached to a modified EELS spectrometer. We demonstrate that coincidence between both events, related to the excitation and deexcitation of atoms in a crystal, provides added information not present in the individual EELS or EDX spectra. In particular, the method provides EELS with a significantly suppressed or even removed background, overcoming the many difficulties with conventional parametric background fitting as it uses no assumptions on the shape of the background, requires no user input and does not suffer from counting noise originating from the background signal. This is highly attractive, especially when low concentrations of elements need to be detected in a matrix of other elements. |
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| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000464450200022 | Publication Date | 2019-04-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor |
3.411 | Times cited | 18 | Open Access | OpenAccess |
| Notes | Fonds Wetenschappelijk Onderzoek, G093417 ; Horizon 2020 Framework Programme, 823717 ESTEEM3 ; Helmholtz Association, VH-NG-1327 ; | Approved | Most recent IF: 3.411 | ||
| Call Number | EMAT @ emat @UA @ admin @ c:irua:159155 | Serial | 5168 | ||
| Permanent link to this record | |||||
| Author | Alvarez-Martin, A.; Trashin, S.; Cuykx, M.; Covaci, A.; De Wael, K.; Janssens, K. | ||||
| Title | Photodegradation mechanisms and kinetics of Eosin-Y in oxic and anoxic conditions | Type | A1 Journal article | ||
| Year | 2017 | Publication | Dyes and pigments | Abbreviated Journal | Dyes Pigments |
| Volume | 145 | Issue | Pages | 376-384 | |
| Keywords | A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre | ||||
| Abstract | Lakes based on Eosin-Y are extensively used by 19th century artists. Unfortunately, the identification of these pigments in paintings is a difficult task because Eosin-Y degrades very fast under the influence of light. The characterization of the (photo)degradation products of Eosin-Y can be very useful for the identification of these pigments in historic works of art and related cultural heritage artifacts. Furthermore, knowledge on how different factors influence the discoloration process (e.g. different types of irradiation sources and presence/absence of oxygen) is a valuable tool for preventive conservation. To this aim we performed a study on the photodegradation of Eosin-Y in solution under different illumination and in both oxic and anoxic conditions. The photodegradation of Eosin-Y was monitored by UV-VIS spectrophotometry, LC-QTOFMS and electrochemistry techniques. Results indicated higher degradation rates, by a factor of 20 or higher, under illumination with wavelengths near to the main absorbance band of the red pigment. Two different degradation pathways are observed under the conditions studied. LC-QTOFMS and electrochemistry suggested that in the presence of oxygen the degradation mechanism is an oxidative process where the breakdown of the structure causes the total discoloration. Meanwhile under anoxic conditions, a debromination process takes place while the chromophore, and consequently the color of the molecule in solution, remains essentially intact. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000405972900046 | Publication Date | 2017-06-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0143-7208 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor |
3.473 | Times cited | 18 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 3.473 | ||
| Call Number | UA @ admin @ c:irua:144385 | Serial | 5770 | ||
| Permanent link to this record | |||||
| Author | Leus, K.; Perez, J.P.H.; Folens, K.; Meledina, M.; Van Tendeloo, G.; Du Laing, G.; Van Der Voort, P. | ||||
| Title | UiO-66-(SH)2 as stable, selective and regenerable adsorbent for the removal of mercury from water under environmentally-relevant conditions | Type | A1 Journal article | ||
| Year | 2017 | Publication | Faraday discussions | Abbreviated Journal | Faraday Discuss |
| Volume | 201 | Issue | Pages | 145-161 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The dithiol functionalized UiO-66-(SH)(2) is developed as an efficient adsorbent for the removal of mercury in aqueous media. Important parameters for the application of MOFs in real-life circumstances include: stability and recyclability of the adsorbents, selectivity for the targeted Hg species in the presence of much higher concentrations of interfering species, and ability to purify wastewater below international environmental limits within a short time. We show that UiO-66-(SH)(2) meets all these criteria. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000409366000009 | Publication Date | 2017-06-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1359-6640 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor |
3.588 | Times cited | 18 | Open Access | Not_Open_Access |
| Notes | ; J. P. H. P. is grateful for the funding from the Vlaamse Interuniversitaire Raad-Universitaire Ontwikkelingssamenwerking (VLIR-UOS). K. L. acknowledges the financial support from the Ghent University BOF Postdoctoral Grant (01P06813T). ; | Approved | Most recent IF: 3.588 | ||
| Call Number | UA @ lucian @ c:irua:145653 | Serial | 4757 | ||
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| Author | Van Dael, M.; Marquez, N.; Reumerman, P.; Pelkmans, L.; Kuppens, T.; Van Passel, S. | ||||
| Title | Development and techno-economic evaluation of a biorefinery based on biomass (waste) streams : case study in the Netherlands | Type | A1 Journal article | ||
| Year | 2014 | Publication | Biofuels Bioproducts & Biorefining-Biofpr | Abbreviated Journal | Biofuel Bioprod Bior |
| Volume | 8 | Issue | 5 | Pages | 635-644 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) | ||||
| Abstract | In this paper, the technical and economic advantages of combining conversion technologies into a multi-dimensional plant primarily using regional biomass residues are investigated. The main objective is to show how locally available biomass can be used more efficiently as a source for renewable energy and bio-based products. Therefore, not only is the theoretical perspective considered, but also a reality check for the local situation is taken into account. Although industrial attitude toward biorefineries is positive, the efficient production of a portfolio of bio-based products has not yet been implemented. A biorefinery concept for Moerdijk (the Netherlands) was developed, focusing on grass refining, production of pyrolysis oil, biodiesel production, and bio-LNG production. Grass refining is the most experimental technique of all proposed conversion techniques. In terms of development, pyrolysis oil and bio-LNG production are in the demonstration phase. Anaerobic digestion and biodiesel production are proven techniques. It is shown that this concept allows for synergies with regard to the utilization of residue flows from internal processes. Furthermore, it is demonstrated that by integrating different conversion technologies, an economically feasible concept can be developed in which technologies, currently residing in a demonstration phase, can also be brought to the market. (c) 2013 Society of Chemical Industry and John Wiley & Sons, Ltd | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000342662200015 | Publication Date | 2013-11-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1932-104x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor |
3.694 | Times cited | 18 | Open Access | |
| Notes | ; We would like to thank the editor and the anonymous referees for their helpful suggestions and insightful comments that have significantly improved the paper. The Energy Conversion Parks (ECP) project is funded by the Interreg IVa – Flanders-Netherlands program from the European Fund for Regional Development that stimulates cross-border projects. Also the Dutch Ministry of Economic Affairs, the Flemish Government, the Provinces of Noord-Brabant (NL), Zeeland (NL), Limburg (BE) and the partners (VITO, Avans University of Applied Sciences, Wageningen University and Research, Hasselt University, and Zeeland University of Applied Sciences) themselves are co-financing the project. We also would like to express our gratitude toward the organization of the 2nd Iberoamerican Congress on Biorefineries in Jaen (Spain) for giving us the opportunity to present and thereby fine-tune our work. ; | Approved | Most recent IF: 3.694; 2014 IF: 4.214 | ||
| Call Number | UA @ admin @ c:irua:127541 | Serial | 6180 | ||
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| Author | Verlackt, C.C.W.; Neyts, E.C.; Jacob, T.; Fantauzzi, D.; Golkaram, M.; Shin, Y.-K.; van Duin, A.C.T.; Bogaerts, A. | ||||
| Title | Atomic-scale insight into the interactions between hydroxyl radicals and DNA in solution using the ReaxFF reactive force field | Type | A1 Journal article | ||
| Year | 2015 | Publication | New journal of physics | Abbreviated Journal | New J Phys |
| Volume | 17 | Issue | 17 | Pages | 103005 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Cold atmospheric pressure plasmas have proven to provide an alternative treatment of cancer by targeting tumorous cells while leaving their healthy counterparts unharmed. However, the underlying mechanisms of the plasma–cell interactions are not yet fully understood. Reactive oxygen species, and in particular hydroxyl radicals (OH), are known to play a crucial role in plasma driven apoptosis of malignant cells. In this paper we investigate the interaction of OH radicals, as well as H2O2 molecules and HO2 radicals, with DNA by means of reactive molecular dynamics simulations using the ReaxFF force field. Our results provide atomic-scale insight into the dynamics of oxidative stress on DNA caused by the OH radicals, while H2O2 molecules appear not reactive within the considered timescale. Among the observed processes are the formation of 8-OH-adduct radicals, forming the first stages towards the formation of 8-oxoGua and 8-oxoAde, H-abstraction reactions of the amines, and the partial opening of loose DNA ends in aqueous solution. |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000367328100001 | Publication Date | 2015-10-02 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1367-2630; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor |
3.786 | Times cited | 18 | Open Access | |
| Notes | CCWV,ECN and AB acknowledge the contribution of J Van Beeck who is investigating the interaction between H2O2 andDNAusingrMDsimulations. Furthermore, they acknowledge financial support from the Fund for Scientific Research—Flanders (project number G012413N). The calculations were performed using the Turing HPCinfrastructure 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 Universiteit Antwerpen. TJ and DF gratefully acknowledge support from the European Research Council through the ERC-Starting GrantTHEOFUN(Grant Agreement No. 259608). | Approved | Most recent IF: 3.786; 2015 IF: 3.558 | ||
| Call Number | c:irua:129178 | Serial | 3955 | ||
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| Author | Boullay, P.; Schryvers, D.; Kohn, R.V. | ||||
| Title | Bending martensite needles in Ni65Al35 investigated by two-dimensional elasticity and high-resolution transmission electron microscopy | Type | A1 Journal article | ||
| Year | 2001 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 64 | Issue | Pages | 144105,1-8 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000171530000026 | 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 |
3.836 | Times cited | 18 | Open Access | |
| Notes | Approved | Most recent IF: 3.836; 2001 IF: NA | |||
| Call Number | UA @ lucian @ c:irua:48392 | Serial | 227 | ||
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| Author | Gordon, I.; Wagner, P.; Das, A.; Vanacken, J.; Moshchalkov, V.V.; Bruynseraede, Y.; Schuddinck, W.; Van Tendeloo, G.; Ziese, M.; Borghs, G. | ||||
| Title | Comparative Hall studies in the electron- and hole-doped manganites La0.33Ca0.67MnO3 and La0.70Ca0.30MnO3 | Type | A1 Journal article | ||
| Year | 2000 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 62 | Issue | 17 | Pages | 11633-11638 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000165201900064 | 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 |
3.836 | Times cited | 18 | Open Access | |
| Notes | Approved | Most recent IF: 3.836; 2000 IF: NA | |||
| Call Number | UA @ lucian @ c:irua:54734 | Serial | 417 | ||
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| Author | Peelaers, H.; Partoens, B.; Giantomassi, M.; Rangel, T.; Goossens, E.; Rignanese, G.-M.; Gonze, X.; Peeters, F.M. | ||||
| Title | Convergence of quasiparticle band structures of Si and Ge nanowires in the GW approximation and the validity of scissor shifts | Type | A1 Journal article | ||
| Year | 2011 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 83 | Issue | 4 | Pages | 045306-045306,6 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Starting from fully converged density-functional theory calculations, the quasiparticle corrections are calculated for different sized Si and Ge nanowires using the GW approximation. The effectiveness of recently developed techniques in speeding up the convergence of the quasiparticle calculations is demonstrated. The complete quasiparticle band structures are also obtained using an interpolation technique based on maximallylocalized Wannier functions. From the quasiparticle results, we assess the correctness of the commonly applied scissor-shift correction. Dispersion changes are observed, which are also reflected in changes in the effective band masses calculated taking into account quasiparticle corrections. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000286771400004 | Publication Date | 2011-01-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor |
3.836 | Times cited | 18 | Open Access | |
| Notes | ; We are grateful to Yann Pouillon for valuable technical support with the build system of ABINIT, related to the WANNIER90 library. This work was supported by the Flemish Science Foundation (FWO-Vl) and by the Interuniversity Attraction Poles Program (P6/42)-Belgian State-Belgian Science Policy. X. G. and G.-M. R. acknowledge funding from the EU's 7th Framework Programme through the ETSF I3 e-Infrastructure project (Grant No. 211956), the Communaute francaise de Belgique through the Action de Recherche Concertee 07/12-003 “Nanosystemes hybrides metal-organiques,” and the Wallon Region Project No. 816849 “ European Theoretical Spectroscopy Facility” (WALL ETSF). M. G. acknowledges funding from the FRFC Project No. 2.4.589.09.F. ; | Approved | Most recent IF: 3.836; 2011 IF: 3.691 | ||
| Call Number | UA @ lucian @ c:irua:86905 | Serial | 510 | ||
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| Author | Zhang, S.H.; Xu, W.; Peeters, F.M.; Badalyan, S.M. | ||||
| Title | Electron energy and temperature relaxation in graphene on a piezoelectric substrate | Type | A1 Journal article | ||
| Year | 2014 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 89 | Issue | 19 | Pages | 195409 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We study the energy and temperature relaxation of electrons in graphene on a piezoelectric substrate. Scattering from the combined potential of extrinsic piezoelectric surface acoustical (PA) phonons of the substrate and intrinsic deformation acoustical phonons of graphene is considered for a (non) degenerate gas of Dirac fermions. It is shown that in the regime of low energies or temperatures the PA phonons dominate the relaxation and change qualitatively its character. This prediction is relevant for quantum metrology and electronic applications using graphene devices and suggests an experimental setup for probing electron-phonon coupling in graphene. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000336000400008 | Publication Date | 2014-05-09 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor |
3.836 | Times cited | 18 | Open Access | |
| Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government. ; | Approved | Most recent IF: 3.836; 2014 IF: 3.736 | ||
| Call Number | UA @ lucian @ c:irua:117675 | Serial | 928 | ||
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| Author | Li, Z.; Covaci, L.; Marsiglio, F. | ||||
| Title | Impact of Dresselhaus versus Rashba spin-orbit coupling on the Holstein polaron | Type | A1 Journal article | ||
| Year | 2012 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 85 | Issue | 20 | Pages | 205112-205112,5 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We utilize an exact variational numerical procedure to calculate the ground-state properties of a polaron in the presence of Rashba and linear Dresselhaus spin-orbit coupling. We find that when the linear Dresselhaus spin-orbit coupling approaches the Rashba spin-orbit coupling, the Van Hove singularity in the density of states will be shifted away from the bottom of the band and finally disappear when the two spin-orbit couplings are tuned to be equal. The effective mass will be suppressed; the trend will become more significant for low phonon frequency. The presence of two dominant spin-orbit couplings will make it possible to tune the effective mass with more varied observables. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000303794900003 | Publication Date | 2012-05-09 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor |
3.836 | Times cited | 18 | Open Access | |
| Notes | ; This work was supported in part by the Natural Sciences and Engineering Research Council of Canada (NSERC), by ICORE (Alberta), by the Flemish Science Foundation (FWO-Vl), and by the Canadian Institute for Advanced Research (CIfAR). ; | Approved | Most recent IF: 3.836; 2012 IF: 3.767 | ||
| Call Number | UA @ lucian @ c:irua:99121 | Serial | 1558 | ||
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| Author | Li, L.L.; Xu, W.; Peeters, F.M. | ||||
| Title | Intrinsic optical anisotropy of [001]-grown short-period InAs/GaSb superlattices | Type | A1 Journal article | ||
| Year | 2010 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 82 | Issue | 23 | Pages | 235422-235422,10 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We theoretically investigate the intrinsic optical anisotropy or polarization induced by the microscopic interface asymmetry (MIA) in no-common-atom (NCA) InAs/GaSb superlattices (SLs) grown along the [001] direction. The eight-band K⋅P model is used to calculate the electronic band structures and incorporates the MIA effect. A Boltzmann equation approach is employed to calculate the optical properties. We found that in NCA InAs/GaSb SLs, the MIA effect causes a large in-plane optical anisotropy for linearly polarized light and the largest anisotropy occurs for light polarized along the [110] and [11̅ 0] directions. The relative difference between the optical-absorption coefficient for [110]-polarized light and that for [11̅ 0]-polarized light is found to be larger than 50%. The dependence of the in-plane optical anisotropy on temperature, photoexcited carrier density, and layer width is examined in detail. This study is important for optical devices which require the polarization control and selectivity. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000286768800007 | Publication Date | 2010-12-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor |
3.836 | Times cited | 18 | Open Access | |
| Notes | ; This work was supported partly by the Flemish Science Foundation (FWO-VL), the Belgium Science Policy (IAP), the NSF of China (Grants No. 10664006, No. 10504036, and No. 90503005), Special Funds of 973 Project of China (Grant No. 2005CB623603), and Knowledge Innovation Program of the Chinese Academy of Sciences. ; | Approved | Most recent IF: 3.836; 2010 IF: 3.774 | ||
| Call Number | UA @ lucian @ c:irua:88909 | Serial | 1717 | ||
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| Author | Gonzalez, A.; Partoens, B.; Peeters, F.M. | ||||
| Title | Padé approximants for the groundstate energy of closed-shell quantum dots | Type | A1 Journal article | ||
| Year | 1997 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 56 | Issue | Pages | 15740-15743 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
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| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000071251000036 | 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 |
3.836 | Times cited | 18 | Open Access | |
| Notes | Approved | Most recent IF: 3.836; 1997 IF: NA | |||
| Call Number | UA @ lucian @ c:irua:19270 | Serial | 2550 | ||
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