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Author |
De Meyer, S.; Vanmeert, F.; Vertongen, R.; van Loon, A.; Gonzalez, V.; van der Snickt, G.; Vandivere, A.; Janssens, K. |
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Title |
Imaging secondary reaction products at the surface of Vermeer's Girl with the Pearl Earring by means of macroscopic X-ray powder diffraction scanning |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Heritage science |
Abbreviated Journal |
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Volume |
7 |
Issue |
1 |
Pages |
67 |
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Keywords |
A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) |
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Abstract  |
The use of non-invasive macroscopic imaging techniques is becoming more prevalent in the field of cultural heritage, especially to avoid invasive procedures that damage valuable artworks. For this purpose, an X-ray powder diffraction scanner (MA-XRPD) capable of visualising crystalline compounds in a highly specific manner was recently developed. Many inorganic pigments present in paintings fall into this category of materials. In this study, the 17th century oil painting Girl with a Pearl Earring (c. 1665) by Johannes Vermeer was analysed with a combination of transmission and reflection mode MA-XRPD. By employing this scanner in reflection mode, the relative sensitivity for compounds that are present at the paint surface could be increased, establishing it as a highly relevant technique for investigating the degradation processes that are ongoing at paint surfaces. Many of the original pigments employed by Vermeer could be identified, along with four secondary alteration products: gypsum (CaSO4 center dot 2H(2)O), anglesite (PbSO4), palmierite (K2Pb(SO4)(2)) and weddellite (CaC2O4 center dot 2H(2)O). The formation of gypsum was linked to the presence of chalk in the upper glaze layer while the formation of palmierite and weddellite is driven by the presence of lake pigments (and their substrates). In this manner, MA-XRPD can also be used to pinpoint locations relevant for sampling and synchrotron mu-XRPD analysis, which provides information on the microscopic make-up of the paint. A paint cross-section taken from an area rich in palmierite was analysed with synchrotron mu-XRPD, which confirmed the presence of this secondary compound at the interface of the upper paint layer with the ground layer as well as the presence of anglesite in the ground layer. The capacity of MA-XRPD to identify and chart secondary alteration products in a non-invasive manner has only very recently been demonstrated and makes it a highly relevant technique for the assessment of the chemical condition of works of art. |
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Wos |
000484938100001 |
Publication Date |
2019-09-08 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2050-7445 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
5 |
Open Access |
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Notes |
; The authors would like to thank Interreg Vlaanderen-Nederland for funding to help develop the MA-rXRPD scanner. This project was made possible with support from the Johan Maurits Compagnie Foundation. This study was supported by Interreg and CALIPSOplus (Grant 730872). ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:162801 |
Serial |
5653 |
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| Permanent link to this record |
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Author |
Vanmeert, F.; De Keyser, N.; van Loon, A.; Klaassen, L.; Noble, P.; Janssens, K. |
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Title |
Transmission and reflection mode macroscopic x-ray powder diffraction imaging for the noninvasive visualization of paint degradation in still life paintings by Jan Davidsz. de Heem |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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Volume |
91 |
Issue |
11 |
Pages |
7153-7161 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The use of noninvasive chemical imaging techniques is becoming more widespread for the study of cultural heritage artifacts. Recently a mobile instrument for macroscopic X-ray powder diffraction (MA-XRPD) scanning was developed, which is capable of visualizing the distribution of crystalline (pigment) phases in quasi-flat-painted artifacts. In this study, MA-XRPD is used in both transmission and reflection mode for the analysis of three 17th century still life paintings, two paintings by Jan Davidsz. de Heem (1606-1684) and one copy painting after De Heem by an unknown artist. MA-XRPD allowed to reveal and map the presence of in situ-formed alteration products. In the works examined, two rare lead arsenate minerals, schultenite (PbHAsO4) and mimetite (Pb-5(AsO4)(3)Cl), were encountered, both at and below the paint surface; they are considered to be degradation products of the pigments realgar (alpha-As4S4) and orpiment (As2S3). In transmission mode, the depletion of lead white, present in the (second) ground layer, could be seen, illustrating the intrusive nature of this degradation process. In reflection mode, several sulfate salts, palmierite (K2Pb(SO4)(2)), syngenite (K2Ca(SO4)(2)center dot H2O), and gypsum (CaSO4 center dot 2H(2)O), could be detected, in particular, at the (top) surface of the copy painting. Estimates for the information depth and sensitivity of both transmission and reflection mode MA-XRPD for various pigments have been made. The possibility of MA-XRPD to allow for noninvasive identification and visualization of alteration products is considered a significant advantage and unique feature of this method. MA-XRPD can thus provide highly relevant information for assessing the conservation state of artworks and could guide possible future restoration treatments. |
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Wos |
000470793800031 |
Publication Date |
2019-05-10 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.32 |
Times cited |
5 |
Open Access |
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Notes |
; The authors acknowledge financial support from BELSPO (Brussels) S2-ART and METOX projects, the NWO (The Hague) Science4Arts “ReVisRembrandt” project, and the GOA Project Solarpaint (University of Antwerp Research Council). The authors thank the Rijksmuseum, the Royal Museum of Fine Arts Antwerp, and their staff for the collaborations. ; |
Approved |
Most recent IF: 6.32 |
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Call Number |
UA @ admin @ c:irua:160245 |
Serial |
5882 |
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Author |
Juchtmans, R.; Clark, L.; Lubk, A.; Verbeeck, J. |
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Title |
Spiral phase plate contrast in optical and electron microscopy |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Physical review A |
Abbreviated Journal |
Phys Rev A |
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Volume |
94 |
Issue |
94 |
Pages |
023838 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The use of phase plates in the back focal plane of a microscope is a well-established technique in optical microscopy to increase the contrast of weakly interacting samples and is gaining interest in electron microscopy as well. In this paper we study the spiral phase plate (SPP), also called helical, vortex, or two-dimensional Hilbert phase plate, which adds an angularly dependent phase of the form exp(iℓϕk) to the exit wave in Fourier space. In the limit of large collection angles, we analytically calculate that the average of a pair of l=+-1
SPP filtered images is directly proportional to the gradient squared of the exit wave, explaining the edge contrast previously seen in optical SPP work. We discuss the difference between a clockwise-anticlockwise pair of SPP filtered images and derive conditions under which the modulus of the wave's gradient can be seen directly from one SPP filtered image. This work provides the theoretical background to interpret images obtained with a SPP, thereby opening new perspectives for new experiments to study, for example, magnetic materials in an electron microscope. |
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Wos |
000381882800011 |
Publication Date |
2016-08-22 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9926 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.925 |
Times cited |
10 |
Open Access |
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Notes |
The authors acknowledge support from the FWO (Aspirant Fonds Wetenschappelijk Onderzoek – Vlaanderen) and the EU under the Seventh Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative, Reference No. 312483-ESTEEM2 and ERC Starting Grant No. 278510 VORTEX.; ECASJO_ |
Approved |
Most recent IF: 2.925 |
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Call Number |
EMAT @ emat @ c:irua:140086 |
Serial |
4418 |
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Author |
van Laer, K.; Bogaerts, A. |
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Title |
Improving the Conversion and Energy Efficiency of Carbon Dioxide Splitting in a Zirconia-Packed Dielectric Barrier Discharge Reactor |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Energy technology |
Abbreviated Journal |
Energy Technol-Ger |
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Volume |
3 |
Issue |
3 |
Pages |
1038-1044 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The use of plasma technology for CO2 splitting is gaining increasing interest, but one of the major obstacles to date for industrial implementation is the considerable energy cost. We demonstrate that the introduction of a packing of dielectric zirconia (ZrO2) beads into a dielectric barrier discharge (DBD) plasma reactor can enhance the CO2 conversion and energy efficiency up to a factor 1.9 and 2.2, respectively, compared to that in a normal (unpacked) DBD reactor. We obtained a maximum conversion of 42 % and a maximum energy efficiency of 9.6 %. However, it is the ability of the packing to almost double both the conversion and the energy efficiency simultaneously at certain input parameters that makes it very promising. The improved conversion and energy efficiency can be explained by the higher values of the local electric field and electron energy near the contact points of the beads and the lower breakdown voltage, demonstrated by 2 D fluid modeling. |
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Wos |
000362913600006 |
Publication Date |
2015-08-19 |
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Abbreviated Series Title |
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Series Volume |
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Edition |
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ISSN |
2194-4288 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.789 |
Times cited |
59 |
Open Access |
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Notes |
This research was carried out in the framework of the network on Physical Chemistry of Plasma-Surface Interactions—Interuniversity Attraction Poles, phase VII (http://psiiap7.ulb.ac.be/), and supported by the Belgian Science Policy Office (BELSPO). K.V.L. is indebted to the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Flanders) for financial support |
Approved |
Most recent IF: 2.789; 2015 IF: 2.824 |
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Call Number |
c:irua:128224 |
Serial |
3992 |
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Author |
Navarrete, A.; Centi, G.; Bogaerts, A.; Mart?n,?ngel; York, A.; Stefanidis, G.D. |
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Title |
Harvesting Renewable Energy for Carbon Dioxide Catalysis |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Energy technology |
Abbreviated Journal |
Energy Technol-Ger |
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Volume |
5 |
Issue |
5 |
Pages |
796-811 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The use of renewable energy (RE) to transform carbon dioxide into commodities (i.e., CO2 valorization) will pave the way towards a more sustainable economy in the coming years. But how can we efficiently use this energy (mostly available as electricity or solar light) to drive the necessary (catalytic) transformations? This paper presents a review of the technological advances in the transformation of carbon dioxide by means of RE. The socioeconomic implications and chemical basis of the transformation of carbon dioxide with RE are discussed. Then a general view of the use of RE to activate the (catalytic) transformations of carbon dioxide with microwaves, plasmas, and light is presented. The fundamental phenomena involved are introduced from a catalytic and reaction device perspective to present the advantages of this energy form as well as the inherent limitations of the present state-of-the-art. It is shown that efficient use of RE requires the redesign of current catalytic concepts. In this context, a new kind of reaction system, an energy-harvesting device, is proposed as a new conceptual approach for this endeavor. Finally, the challenges that lie ahead for the efficient and economical use of RE for carbon dioxide conversion are exposed. |
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Wos |
000451619500001 |
Publication Date |
2017-02-08 |
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Abbreviated Series Title |
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Edition |
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ISSN |
2194-4288 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.789 |
Times cited |
15 |
Open Access |
Not_Open_Access |
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Notes |
Fund for Scientific Research Flanders, G.0254.14 N, G.0217.14 N and G.0383.16 N ; Spanish Ministry of Economy and Competitiveness, ENE2014-53459-R ; |
Approved |
Most recent IF: 2.789 |
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Call Number |
PLASMANT @ plasmant @ c:irua:144217 |
Serial |
4615 |
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Author |
Bertrand, L.; Robinet, L.; Thoury, M.; Janssens, K.; Cohen, S.X.; Schöder, S. |
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Title |
Cultural heritage and archaeology materials studied by synchrotron spectroscopy and imaging |
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A1 Journal article |
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Year |
2012 |
Publication |
Applied physics A : materials science & processing |
Abbreviated Journal |
Appl Phys A-Mater |
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Volume |
106 |
Issue |
2 |
Pages |
377-396 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The use of synchrotron radiation techniques to study cultural heritage and archaeological materials has undergone a steep increase over the past 10-15 years. The range of materials studied is very broad and encompasses painting materials, stone, glass, ceramics, metals, cellulosic and wooden materials, and a cluster of organic-based materials, in phase with the diversity observed at archaeological sites, museums, historical buildings, etc. Main areas of investigation are: (1) the study of the alteration and corrosion processes, for which the unique non-destructive speciation capabilities of X-ray absorption have proved very beneficial, (2) the understanding of the technologies and identification of the raw materials used to produce archaeological artefacts and art objects and, to a lesser extent, (3) the investigation of current or novel stabilisation, conservation and restoration practices. In terms of the synchrotron methods used, the main focus so far has been on X-ray techniques, primarily X-ray fluorescence, absorption and diffraction, and Fourier-transform infrared spectroscopy. We review here the use of these techniques from recent works published in the field demonstrating the breadth of applications and future potential offered by third generation synchrotron techniques. New developments in imaging and advanced spectroscopy, included in the UV/visible and IR ranges, could even broaden the variety of materials studied, in particular by fostering more studies on organic and complex organic-inorganic mixtures, while new support activities at synchrotron facilities might facilitate transfer of knowledge between synchrotron specialists and users from archaeology and cultural heritage sciences. |
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Wos |
000299749000009 |
Publication Date |
2011-11-25 |
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Abbreviated Series Title |
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Edition |
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ISSN |
0947-8396 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.455 |
Times cited |
55 |
Open Access |
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Notes |
; The authors acknowledge the critical reading by B. Berrie (National Gallery of Art, Washington DC, USA). We thank J. Mass (Conservation Department, Winterthur Museum and Country Estate, Winterthur, DE, USA), H. Roemich (Institute of Fine Arts, New York University, USA), J. Hiller (Non-Crystalline Diffraction Beamline, Diamond Light Source, Didcot, UK) and J.-P. Echard (Laboratoire de recherche et de restauration, Musee de la musique, Paris, France) for their comments on the presentation of their work in the manuscript. The IPANEMA platform is jointly developed by CNRS, MNHN, the French Ministry of Culture and Communication and SOLEIL, and benefits from a CPER grant (MESR, Region Ile-de-France). Support by the Access to Research Infrastructures activity in the 7th Framework Programme of the EU (CHARISMA Grant Agreement n. 228330) and the NWO Science4Arts programme are acknowledged. ; |
Approved |
Most recent IF: 1.455; 2012 IF: 1.545 |
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Call Number |
UA @ admin @ c:irua:99166 |
Serial |
5561 |
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Author |
Vandersteen, G.; Schneidewind, U.; Anibas, C.; Schmidt, C.; Seuntjens, P.; Batelaan, O. |
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Title |
Determining groundwater-surface water exchange from temperature-time series : combining a local polynomial method with a maximum likelihood estimator |
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A1 Journal article |
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Year |
2015 |
Publication |
Water resources research |
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Volume |
51 |
Issue |
2 |
Pages |
922-939 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The use of temperature-time series measured in streambed sediments as input to coupled water flow and heat transport models has become standard when quantifying vertical groundwater-surface water exchange fluxes. We develop a novel methodology, called LPML, to estimate the parameters for 1-D water flow and heat transport by combining a local polynomial (LP) signal processing technique with a maximum likelihood (ML) estimator. The LP method is used to estimate the frequency response functions (FRFs) and their uncertainties between the streambed top and several locations within the streambed from measured temperature-time series data. Additionally, we obtain the analytical expression of the FRFs assuming a pure sinusoidal input. The estimated and analytical FRFs are used in an ML estimator to deduce vertical groundwater-surface water exchange flux and its uncertainty as well as information regarding model quality. The LPML method is tested and verified with the heat transport models STRIVE and VFLUX. We demonstrate that the LPML method can correctly reproduce a priori known fluxes and thermal conductivities and also show that the LPML method can estimate averaged and time-variable fluxes from periodic and nonperiodic temperature records. The LPML method allows for a fast computation of exchange fluxes as well as model and parameter uncertainties from many temperature sensors. Moreover, it can utilize a broad frequency spectrum beyond the diel signal commonly used for flux calculations. |
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Wos |
000351401200009 |
Publication Date |
2014-12-31 |
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ISSN |
0043-1397; 0043-137x |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:125492 |
Serial |
7797 |
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Author |
Jain, R.; Rather, J.A.; Dwivedi, A.; Vikas |
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Highly sensitive and selective voltammetric sensor fullerene modified glassy carbon electrode for determination of cefitizoxime in solubilized system |
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A1 Journal article |
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Year |
2010 |
Publication |
Electroanalysis |
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Volume |
22 |
Issue |
21 |
Pages |
2600-2606 |
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A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The usefulness of fullerene modified glassy carbon electrode in mediating the reduction of cefitizoxime in solubilized system has been demonstrated. Due to the unique structure and extraordinary properties, fullerene shows higher catalytic efficiency towards cefitizoxime reduction. The kinetic parameters, electron transfer coefficient (α) and rate constant (K0) across the modified electrode are 0.37 and 0.1081/s respectively. The proposed square-wave voltammetric method is linear over the concentration range 1.210.3 µg/mL. The limit of detection (LOD) is found 0.27 ng/mL. High sensitivity and selectivity together with low detection limit of the electrode response make it suitable for the determination of cefitizoxime. |
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Wos |
000284052900015 |
Publication Date |
2010-10-04 |
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ISSN |
1040-0397 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:98690 |
Serial |
8042 |
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Author |
Gasparotto, A.; Maccato, C.; Sada, C.; Carraro, G.; Kondarides, D.I.; Bebelis, S.; Petala, A.; La Porta, A.; Altantzis, T.; Barreca, D. |
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Title |
Controlled Surface Modification of ZnO Nanostructures with Amorphous TiO2for Photoelectrochemical Water Splitting |
Type |
A1 Journal Article |
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Year |
2019 |
Publication |
Advanced Sustainable Systems |
Abbreviated Journal |
Adv. Sustainable Syst. |
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Pages |
1900046 |
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Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
The utilization of solar radiation to trigger photoelectrochemical (PEC) water splitting has gained interest for sustainable energy production. In this study, attention is focused on the development of ZnO–TiO2 nanocomposite photoanodes. The target systems are obtained by growing porous arrays of highly crystalline, elongated ZnO nanostructures on indium tin oxide (ITO) by chemical vapor deposition. Subsequently, the obtained nanodeposits are functionalized with TiO2 via radio frequency-sputtering for different process durations, and subjected to final annealing in air. Characterization results demonstrate the successful formation of high purity composite systems in which the surface of ZnO nanostructures is decorated by ultra-small amounts of amorphous titania, whose content can be conveniently tailored as a function of deposition time. Photocurrent density measurements in sunlight triggered water splitting highlight a remarkable performance enhancement with respect to single-phase zinc and titanium oxides, with up to a threefold photocurrent increase compared to bare ZnO. These results, mainly traced back to the formation of ZnO/TiO2 heterojunctions yielding an improved photocarrier separation, show that the target nanocomposites are attractive photoanodes for efficient PEC water splitting. |
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Wos |
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Publication Date |
2019-06-03 |
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Abbreviated Series Title |
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ISSN |
2366-7486 |
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Times cited |
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Open Access |
Not_Open_Access |
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Notes |
This work was financially supported by Padova University DOR 2016–2019, P-DiSC #03BIRD2016-UNIPD, and #03BIRD2018-UNIPD projects and ACTION post-doc fellowship. A.G. acknowledges AMGAFoundation and INSTM Consortium. T.A. acknowledges a postdoctoral grant from the Research Foundation Flanders (FWO, Belgium). Thanks are also due to Dr. Sebastiano Pianta (Department of Chemical Sciences, Padova University, Italy) for experimental assistance. |
Approved |
Most recent IF: NA |
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| |
Call Number |
EMAT @ emat @ |
Serial |
5186 |
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| Permanent link to this record |
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Author |
Cukaric, N.A.; Partoens, B.; Tadic, M.Z.; Arsoski, V.V.; Peeters, F.M. |
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| |
Title |
The 30-band k . p theory of valley splitting in silicon thin layers |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
|
| |
Volume |
28 |
Issue |
28 |
Pages |
195303 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The valley splitting of the conduction-band states in a thin silicon-on-insulator layer is investigated using the 30-band k . p theory. The system composed of a few nm thick Si layer embedded within thick SiO2 layers is analyzed. The valley split states are found to cross periodically with increasing quantum well width, and therefore the energy splitting is an oscillatory function of the quantum well width, with period determined by the wave vector K-0 of the conduction band minimum. Because the valley split states are classified by parity, the optical transition between the ground hole state and one of those valley split conduction band states is forbidden. The oscillations in the valley splitting energy decrease with electric field and with smoothing of the composition profile between the well and the barrier by diffusion of oxygen from the SiO2 layers to the Si quantum well. Such a smoothing also leads to a decrease of the interband transition matrix elements. The obtained results are well parametrized by the effective two-valley model, but are found to disagree from previous 30-band calculations. This discrepancy could be traced back to the fact that the basis for the numerical solution of the eigenproblem must be restricted to the first Brillouin zone in order to obtain quantitatively correct results for the valley splitting. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000374394700009 |
Publication Date |
2016-04-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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| |
ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.649 |
Times cited |
|
Open Access |
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| |
Notes |
; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia, the Flemish fund for Scientific Research (FWO-Vl), and the Methusalem programme of the Flemish government. ; |
Approved |
Most recent IF: 2.649 |
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| |
Call Number |
UA @ lucian @ c:irua:133610 |
Serial |
4261 |
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| Permanent link to this record |
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Author |
Buyle, M.; Maes, B.; Van Passel, S.; Boonen, K.; Vercalsteren, A.; Audenaert, A. |
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Title |
Ex-ante LCA of emerging carbon steel slag treatment technologies : fast forwarding lab observations to industrial-scale production |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Journal Of Cleaner Production |
Abbreviated Journal |
J Clean Prod |
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| |
Volume |
313 |
Issue |
|
Pages |
127921 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Energy and Materials in Infrastructure and Buildings (EMIB) |
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Abstract |
The valuable properties of carbon steel slag are currently underexploited. To date, research mainly focusses on valorising a single property of the slag. In this study an ex-ante life cycle assessment (LCA) was applied to evaluate the environmental profile of a novel technological pathway aimed at the extraction of chromium from carbon steel slag in combination with high quality valorisation of the residual matrix material. A comparison with current practice was made, not only by calculating the environmental impact of the lab scale observations, but more importantly by estimating the impact on an industrial scale. Practical guidance on ex-ante LCA is limited, so this study contributes by incorporating simulations on thermodynamic behaviour, complemented with empirical calculation rules and including information derived from similar technologies to perform the upscaling. These principles of ex-ante LCA were applied to the lab results of two consecutive research iterations. Substantial improvements of the environmental profile were observed: ex-ante results turned out to be a factor 20 lower compared to the results from the lab observations after the first iteration and had decreased by a factor 2 compared to the small pilot scale of the second iteration. All upscaled results are better than those from the worst case reference scenario (landfill). Based on the experience gained after this iterative research cycle, a practical recommendation is that at a low technology readiness level using more simple calculation rules in combination with a flowsheet based on elementary design principles for processes at an industrial scale is a more efficient way of modelling compared to a fully-fledged process design from the start. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000693416000002 |
Publication Date |
2021-06-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0959-6526 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
5.715 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 5.715 |
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Call Number |
UA @ admin @ c:irua:179313 |
Serial |
6922 |
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| Permanent link to this record |
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Author |
Kuppens, T.; Rafiaani, P.; Vanreppelen, K.; Yperman, J.; Carleer, R.; Schreurs, S.; Thewys, T.; Van Passel, S. |
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Title |
Combining Monte Carlo simulations and experimental design for incorporating risk and uncertainty in investment decisions for cleantech : a fast pyrolysis case study |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Clean Technologies And Environmental Policy |
Abbreviated Journal |
Clean Technol Envir |
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Volume |
20 |
Issue |
6 |
Pages |
1195-1206 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
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Abstract |
The value of phytoextracting crops (plants cultivated for soil remediation) depends on the profitability of the sequential investment in a conversion technology aimed at the economic valorization of the plants. However, the net present value (NPV) of an investment in such an innovative technology is risky due to technical and economic uncertainties. Therefore, decision makers want to dispose of information about the probability of a positive NPV, the largest possible loss, and the crucial economic and technical parameters influencing the NPV. This paper maps the total uncertainty in the NPV of an investment in fast pyrolysis for the production of combined heat and power from willow cultivated for phytoextraction in the Belgian Campine. The probability of a positive NPV has been calculated by performing Monte Carlo simulations. Information about possible losses has been provided by means of experimental design. Both methods are then combined in order to identify the key economic and technical parameters influencing the project's profitability. It appears that the case study has a chance of 87% of generating a positive NPV with an expected value of 3 million euro (MEUR), while worst-case scenarios predict possible losses of 7 MEUR. The amount of arable land, the biomass yield, the purchase price of the crop, the policy support, and the product yield of fast pyrolysis are identified as the most influential parameters. It is concluded that both methods, i.e., Monte Carlo simulations and experimental design, provide decision makers with complementary information with regard to economic risk. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000439453500007 |
Publication Date |
2018-05-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1618-954x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
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Impact Factor |
3.331 |
Times cited |
5 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.331 |
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Call Number |
UA @ admin @ c:irua:152385 |
Serial |
6169 |
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| Permanent link to this record |
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Author |
Salzmann, B.B.V.; Vliem, J.F.; Maaskant, D.N.; Post, L.C.; Li, C.; Bals, S.; Vanmaekelbergh, D. |
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Title |
From CdSe nanoplatelets to quantum rings by thermochemical edge reconfiguration |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Chemistry Of Materials |
Abbreviated Journal |
Chem Mater |
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Volume |
33 |
Issue |
17 |
Pages |
6853-6859 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The variation in the shape of colloidal semiconductor nanocrystals (NCs) remains intriguing. This interest goes beyond crystallography as the shape of the NC determines its energy levels and optoelectronic properties. While thermodynamic arguments point to a few or just a single shape(s), terminated by the most stable crystal facets, a remarkable variation in NC shape has been reported for many different compounds. For instance, for the well-studied case of CdSe, close-to-spherical quantum dots, rods, two-dimensional nanoplatelets, and quantum rings have been reported. Here, we report how two-dimensional CdSe nanoplatelets reshape into quantum rings. We monitor the reshaping in real time by combining atomically resolved structural characterization with optical absorption and photoluminescence spectroscopy. We observe that CdSe units leave the vertical sides of the edges and recrystallize on the top and bottom edges of the nanoplatelets, resulting in a thickening of the rims. The formation of a central hole, rendering the shape into a ring, only occurs at a more elevated temperature. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000696553600024 |
Publication Date |
2021-08-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756; 1520-5002 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
9.466 |
Times cited |
7 |
Open Access |
OpenAccess |
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Notes |
Hans Meeldijk is kindly acknowledged for helping with electron microscopy at Utrecht University. B.B.V.S. and D.V. acknowledge the Dutch NWO for financial support via the TOP-ECHO grant no. 715.016.002. D.V. acknowledges financial support from the European ERC Council, ERC Advanced grant 692691 “First Step”. D.V. and L.C.P. acknowledge the Dutch NWO for financial support via the TOP-ECHO grant nr. 718.015.002. S.B acknowledges financial support from the European ERC Council, ERC Consolidator grant 815128. This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement no. 731019 (EUSMI). Realnano; sygmaSB |
Approved |
Most recent IF: 9.466 |
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Call Number |
UA @ admin @ c:irua:181550 |
Serial |
6839 |
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| Permanent link to this record |
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Author |
Antipov, E.V.; Putilin, S.N.; Shpanchenko, R.V.; Alyoshin, V.A.; Rozova, M.G.; Abakumov, A.M.; Mikhailova, D.A.; Balagurov, A.M.; Lebedev, O.; Van Tendeloo, G. |
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Title |
Structural features, oxygen and fluorine doping in Cu-based superconductors |
Type |
A1 Journal article |
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Year |
1997 |
Publication |
Physica: C : superconductivity
T2 – International Conference on Materials and Mechanisms of, Superconductivity – High Temperature Superconductors V, Feb. 28-Mar. 04, 1997, Beijing, Peoples R. China |
Abbreviated Journal |
Physica C |
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Volume |
282 |
Issue |
Part 1 |
Pages |
61-64 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The variation of structures and superconducting properties by changing extra oxygen or fluorine atoms concentration in Hg-based Cu mixed oxides and YBa2Cu3O6+delta was studied. The data obtained by NPD study of Hg-1201 can be considered as an evidence of the conventional oxygen doping mechanism with 2 delta holes per (CuO2) layer. The extra oxygen atom was found to be located in the middle of the Hg mesh only. Different formal charges of oxygen and fluorine inserted into reduced 123 structure results in its distinct variations. The fluorine incorporation into strongly reduced YBa2Cu3O6+delta causes a significant structural rearrangement and the formation of a new compound with a composition close to YBa2Cu3O6F2 (tetragonal alpha = 3.87 Angstrom and c approximate to 13 Angstrom), which structure was deduced from the combined results of X-ray diffraction, electron diffraction and high resolution electron microscopy. Fluorination treatment by XeF2 of nonsuperconducting 123 samples causes an appearance of bulk superconductivity with T-c up to 94K. |
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Corporate Author |
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Thesis |
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Publisher |
Elsevier Science |
Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
A1997XZ90400019 |
Publication Date |
2002-07-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.404 |
Times cited |
10 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.404; 1997 IF: 2.199 |
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Call Number |
UA @ lucian @ c:irua:95866 |
Serial |
3237 |
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| Permanent link to this record |
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Author |
Gorbanev, Y.; Verlackt, C.C.W.; Tinck, S.; Tuenter, E.; Foubert, K.; Cos, P.; Bogaerts, A. |
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Title |
Combining experimental and modelling approaches to study the sources of reactive species induced in water by the COST RF plasma jet |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
20 |
Issue |
4 |
Pages |
2797-2808 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
The vast biomedical potential of cold atmospheric pressure plasmas (CAPs) is governed by the formation of reactive species. These biologically active species are formed upon the interaction of CAPs with the surroundings. In biological milieu, water plays an essential role. The development of biomedical CAPs thus requires understanding of the sources of the reactive species in aqueous media exposed to the plasma. This is especially important in case of the COST RF plasma jet, which is developed as a reference microplasma system. In this work, we investigated the formation of the OH radicals, H atoms and H2O2 in aqueous solutions exposed to the COST plasma jet. This was done by combining experimental and modelling approaches. The liquid phase species were analysed using UV-Vis spectroscopy and spin trapping with hydrogen isotopes and electron paramagnetic resonance (EPR) spectroscopy. The discrimination between the species formed from the liquid phase and the gas phase molecules was performed by EPR and 1H-NMR analyses of the liquid samples. The concentrations of the reactive species in the gas phase plasma were obtained using a zero-dimensional (0D) chemical kinetics computational model. A three-dimensional (3D) fluid dynamics model was developed to provide information on the induced humidity in the plasma effluent. The comparison of the experimentally obtained trends for the formation of the species as a function of the feed gas and effluent humidity with the modelling results suggest that all reactive species detected in our system are mostly formed in the gas phase plasma inside the COST jet, with minor amounts arising from the plasma effluent humidity. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000423505500066 |
Publication Date |
2018-01-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1463-9076 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.123 |
Times cited |
23 |
Open Access |
OpenAccess |
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Notes |
We are grateful to Volker Schulz-von der Gathen (Experimental Physics II: Application Oriented Plasma Physics, Ruhr-Universita¨t Bochum, Germany) for providing the COST RF plasma jet. We thank our colleagues at the University of Antwerp: Gilles Van Loon (Mechanical Workshop), Karen Leyssens (Research group PLASMANT), and Sylvia Dewilde (Department of Biomedical Sciences) for their help with the equipment. This work was funded by the European Marie Sklodowska-Curie Individual Fellowship ‘LTPAM’ within Horizon2020 (grant no. 657304). Stefan Tinck thanks the Fund for Scientific Research – Flanders (FWO) for supporting his work (grant no. 0880.212.840). |
Approved |
Most recent IF: 4.123 |
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Call Number |
PLASMANT @ plasmant @c:irua:148365 |
Serial |
4808 |
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Author |
Akkerman, Q.A.; Bladt, E.; Petralanda, U.; Dang, Z.; Sartori, E.; Baranov, D.; Abdelhady, A.L.; Infante, I.; Bals, S.; Manna, L. |
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Title |
Fully inorganic Ruddlesden-Popper double CI-I and triple CI-Br-I lead halide perovskite nanocrystals |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
31 |
Issue |
31 |
Pages |
2182-2190 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The vast majority of lead halide perovskite (LHP) nanocrystals (NCs) are currently based on either a single halide composition (CsPbCl3, CsPbBr3, and CsPbI3) or an alloyed mixture of bromide with either Cl- or I- [i.e., CsPb(Br:Cl)(3) or CsPb(Br:I)(3)]. In this work, we present the synthesis as well as a detailed optical and structural study of two halide alloying cases that have not previously been reported for LHP NCs: Cs2PbI2Cl2 NCs and triple halide CsPb(Cl:Br:I)(3) NCs. In the case of Cs2PbI2Cl2, we observe for the first time NCs with a fully inorganic Ruddlesden-Popper phase (RPP) crystal structure. Unlike the well-explored organic-inorganic RPP, here, the RPP formation is triggered by the size difference between the halide ions. These NCs exhibit a strong excitonic absorption, albeit with a weak photoluminescence quantum yield (PLQY). In the case of the triple halide CsPb(Cl:Br:I)(3) composition, the NCs comprise a CsPbBr2Cl perovskite crystal lattice with only a small amount of incorporated iodide, which segregates at RPP planes' interfaces within the CsPb(Cl:Br:I)(3) NCs. Supported by density functional theory calculations and postsynthetic surface treatments to enhance the PLQY, we show that the combination of iodide segregation and defective RPP interfaces are most likely linked to the strong PL quenching observed in these nanostructures. In summary, this work demonstrates the limits of halide alloying in LHP NCs because a mixture that contains halide ions of very different sizes leads to the formation of defective RPP interfaces and a severe quenching of LHP NC's optical properties. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000462950400038 |
Publication Date |
2019-03-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.466 |
Times cited |
58 |
Open Access |
OpenAccess |
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Notes |
; Q.A.A. and L.M. acknowledge funding from the European Union Seventh Framework Programme under grant agreement no. 614897 (ERC Consolidator Grant “TRANS-NANO”). The work of D.B. was supported by the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement no. 794560. E.B. and S.B. acknowledge funding from the Research Foundation Flanders (G.038116N, G.03691, and funding of a postdoctoral grant to E.B.). I.I. acknowledges The Netherlands Organization of Scientific Research (NWO) for financial support through the Innovational Research Incentive (Vidi) Scheme (grant no. 723.013.002). The computational work was carried out on the Dutch national e-infrastructure with the support of the SURF Cooperative. ; |
Approved |
Most recent IF: 9.466 |
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| |
Call Number |
UA @ admin @ c:irua:159414 |
Serial |
5250 |
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Author |
Nguyen, H.L.; Braun, M.; Szaloki, I.; Baeyens, W.; Van Grieken, R.; Leermakers, M. |
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Title |
Tracing the metal pollution history of the Tisza River through the analysis of a sediment depth profile |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Water, air and soil pollution |
Abbreviated Journal |
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Volume |
200 |
Issue |
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Pages |
119-132 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The vertical profiles of 20 major and trace metals were investigated along a 180-cm-long sediment core, which was sampled at Kiss-Janosne-Holt Tisza, an oxbow lake located in the upper part of the Tisza River in Hungary. The vertical profiles showed sharp peaks at different depths, reflecting historical pollution events and unusual changes of river water characteristics. Five different groups of metals, containing metals which were strongly correlated and showing a similar behaviour, could be distinguished by factor analysis. Six areas, with variable degrees and types of contamination, were classified in the sediment core with cluster analysis. The most polluted sections were found in the upper 50-cm part (significantly contaminated by Cu, Zn, Pb, Cd and Hg) and the deeper 100120-cm part (characterised by high concentrations of metals associated with mining activities, such as Fe and Mn, as well as Cu, Zn and Pb). In recent years, important pollution events, such as the one which took place in March of 2000, were the reason for pollution of the upper sediment layers, whereas mining activities during the last century were responsible for the pollution of the deeper core sections. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Language |
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Wos |
000266487700012 |
Publication Date |
2008-10-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0049-6979; 1573-2932 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:77257 |
Serial |
8695 |
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Author |
Simon, P.; Bogaerts, A. |
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Title |
Vibrational level population of nitrogen impurities in low-pressure argon glow discharges |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
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Volume |
26 |
Issue |
4 |
Pages |
804-810 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The vibrational level populations of the electronic ground state of the nitrogen molecule have been calculated for typical glow discharge conditions in argonnitrogen mixtures with nitrogen concentrations between 0.1 and 1%. Stationary solutions of the master equations of the vibrational levels have been obtained using numerical methods. The main mechanisms responsible for the population and depopulation of the vibrational levels, and for the overall shape of the vibrational distribution function are pointed out. It has been found that vibrationvibration collisions play only a minor role and therefore the population of the vibrational levels is basically determined by the electron temperature. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000288703300012 |
Publication Date |
2010-12-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0267-9477;1364-5544; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.379 |
Times cited |
6 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.379; 2011 IF: 3.220 |
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| |
Call Number |
UA @ lucian @ c:irua:87530 |
Serial |
3842 |
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| Permanent link to this record |
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| |
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Author |
Blagojević, J.; Mijin, S.D.; Bekaert, J.; Opačić, M.; Liu, Y.; Milošević, M.V.; Petrović, C.; Popović, Z.V.; Lazarević, N. |
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| |
Title |
Competition of disorder and electron-phonon coupling in 2H-TaSe2-xSx (0≤x≤2) as evidenced by Raman spectroscopy |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
Physical review materials |
Abbreviated Journal |
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|
| |
Volume |
8 |
Issue |
2 |
Pages |
024004-24008 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
The vibrational properties of 2H-TaSe<sub>2-x</sub>S<sub>x</sub> (0≤x≤2) single crystals were probed using Raman spectroscopy and density functional theory calculations. The end members revealed two out of four symmetry-predicted Raman active modes, together with the pronounced two-phonon structure, attributable to the enhanced electron-phonon coupling. Additional peaks become observable due to crystallographic disorder for the doped samples. The evolution of the E<sub>2</sub>g<sup>2</sup> mode Fano parameter reveals that the disorder has a weak impact on electron-phonon coupling, which is also supported by the persistence of two-phonon structure in doped samples. As such, this research provides thorough insights into the lattice properties, the effects of crystallographic disorder on Raman spectra, and the interplay of this disorder with the electron-phonon coupling in 2H-TaSe<sub>2-x</sub>S<sub>x</sub> compounds. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
001171649400004 |
Publication Date |
2024-02-21 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
3.4 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.4; 2024 IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:204404 |
Serial |
9141 |
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| Permanent link to this record |
| |
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| |
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Author |
Peelaers, H.; Hernández-Nieves, A.D.; Leenaerts, O.; Partoens, B.; Peeters, F.M. |
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| |
Title |
Vibrational properties of graphene fluoride and graphane |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
| |
Volume |
98 |
Issue |
5 |
Pages |
051914 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The vibrational properties of graphene fluoride and graphane are studied using ab initio calculations. We find that both sp(3) bonded derivatives of graphene have different phonon dispersion relations and phonon densities of states as expected from the different masses associated with the attached atoms of fluorine and hydrogen, respectively. These differences manifest themselves in the predicted temperature behavior of the constant-volume specific heat of both compounds. (C) 2011 American Institute of Physics. [doi:10.1063/1.3551712] |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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| |
Language |
|
Wos |
000286988400027 |
Publication Date |
2011-02-02 |
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| |
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 |
66 |
Open Access |
|
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| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-V1), the Belgian Science Policy (IAP), and the collaborative project FWO-MINCyT (Contract No. FW /08/01). A.D.H.-N. is also supported by ANPCyT (under Grant No. PICT2008-2236) ; |
Approved |
Most recent IF: 3.411; 2011 IF: 3.844 |
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| |
Call Number |
UA @ lucian @ c:irua:105604 |
Serial |
3844 |
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| Permanent link to this record |
| |
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| |
|
Author |
Chaves, A.; Peeters, F.M.; Farias, G.A.; Milošević, M.V. |
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| |
Title |
Vortex-vortex interaction in bulk superconductors : Ginzburg-Landau theory |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
83 |
Issue |
5 |
Pages |
054516-054516,14 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
The vortex-vortex interaction potential in bulk superconductors is calculated within the Ginzburg-Landau (GL) theory and is obtained from a numerical solution of a set of two coupled nonlinear GL differential equations for the vector potential and the superconducting order parameter, where the merger of vortices into a giant vortex is allowed. Further, the interaction potentials between a vortex and a giant vortex and between a vortex and an antivortex are obtained for both type-I and type-II superconductors. Our numerical results agree asymptotically with the analytical expressions for large intervortex separations that are available in the literature. We propose empirical expressions valid over the full interaction range, which are fitted to our numerical data for different values of the GL parameter. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000287712100009 |
Publication Date |
2011-02-25 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
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 |
31 |
Open Access |
|
|
| |
Notes |
; Discussions with J. S. Andrade Jr. and A. A. Moreira are gratefully acknowledged. This work was financially supported by CNPq, under Contract No. NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES, the Bilateral programme between Flanders and Brazil, the collaborative project CNPq-FWO-Vl, the Belgian Science Policy (IAP), and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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| |
Call Number |
UA @ lucian @ c:irua:88805 |
Serial |
3899 |
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| Permanent link to this record |
| |
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| |
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Author |
Saqlain, M.A.; Hussain, A.; Siddiq, D.M.; Leenaerts, O.; Leitão, A.A. |
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| |
Title |
DFT Study of Synergistic Catalysis of the Water-Gas-Shift Reaction on Cu-Au Bimetallic Surfaces |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
ChemCatChem |
Abbreviated Journal |
Chemcatchem |
|
| |
Volume |
8 |
Issue |
8 |
Pages |
1208-1217 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
The water-gas-shift reaction (WGSR) is an important industrial process that can be significantly enhanced at suitable catalyst surfaces. In this work, we investigate the catalytic behavior of metallic Cu(1 0 0) and bimetallic Cu–Au(1 0 0) surfaces. With density functional theory calculations, the variation in the Gibbs free energy (ΔG°), the activation barriers, and the rate constants for the WGSR are calculated. The variation in ΔG° for water dissociation shows that the process is spontaneous up to 520 K on the bimetallic surface and up to 229 K on the Cu(1 0 0) surface. The calculated rate constants for the process also show that the bimetallic surface is much more reactive than the Cu(1 0 0) surface. The calculated pressure–temperature phase diagram for water dissociation shows that the partial pressure of H2O required for water dissociation on the bimetallic surface is substantially lower than that on the Cu(1 0 0) surface at all the studied temperatures. Additionally, the calculations demonstrate that the kinetics of the water-gas-shift reaction is dominated by redox processes on both the surfaces. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000373074900026 |
Publication Date |
2016-02-26 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1867-3880 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.803 |
Times cited |
8 |
Open Access |
|
|
| |
Notes |
; The authors would like to thank the Brazilian agencies CNPq, CAPES, FAPEMIG (CEX-PPM-00262/13), and TWAS for financial support and CENAPAD-SP for computational facilities. M.A. Saqlain pays special thanks to all the members of GFQSI for making his stay in Brazil memorable. ; |
Approved |
Most recent IF: 4.803 |
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| |
Call Number |
c:irua:133236 |
Serial |
4070 |
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| Permanent link to this record |
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Author |
Parrilla, M.; De Wael, K. |
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| |
Title |
Wearable self‐powered electrochemical devices for continuous health management |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Advanced Functional Materials |
Abbreviated Journal |
Adv Funct Mater |
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| |
Volume |
31 |
Issue |
50 |
Pages |
2107042 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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| |
Abstract |
The wearable revolution is already present in society through numerous gadgets. However, the contest remains in fully deployable wearable (bio)chemical sensing. Its use is constrained by the energy consumption which is provided by miniaturized batteries, limiting the autonomy of the device. Hence, the combination of materials and engineering efforts to develop sustainable energy management is paramount in the next generation of wearable self-powered electrochemical devices (WeSPEDs). In this direction, this review highlights for the first time the incorporation of innovative energy harvesting technologies with top-notch wearable self-powered sensors and low-powered electrochemical sensors toward battery-free and self-sustainable devices for health and wellbeing management. First, current elements such as wearable designs, electrochemical sensors, energy harvesters and storage, and user interfaces that conform WeSPEDs are depicted. Importantly, the bottlenecks in the development of WeSPEDs from an analytical perspective, product side, and power needs are carefully addressed. Subsequently, energy harvesting opportunities to power wearable electrochemical sensors are discussed. Finally, key findings that will enable the next generation of wearable devices are proposed. Overall, this review aims to bring new strategies for an energy-balanced deployment of WeSPEDs for successful monitoring of (bio)chemical parameters of the body toward personalized, predictive, and importantly, preventive healthcare. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000694642500001 |
Publication Date |
2021-09-09 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1616-301x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
12.124 |
Times cited |
|
Open Access |
OpenAccess |
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| |
Notes |
|
Approved |
Most recent IF: 12.124 |
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| |
Call Number |
UA @ admin @ c:irua:181306 |
Serial |
8750 |
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| Permanent link to this record |
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Author |
Cánovas, R.; Daems, E.; Langley, A.R.; De Wael, K. |
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Title |
Are aptamer-based biosensing approaches a good choice for female fertility monitoring? A comprehensive review |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Biosensors and bioelectronics |
Abbreviated Journal |
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| |
Volume |
220 |
Issue |
|
Pages |
114881-18 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
The WHO estimates that 8–10% of couples are facing fertility problems, often due to inaccuracy in predicting the female's ovulation period controlled by four key hormones. The quantification and monitoring of such key hormones are crucial for the early identification of infertility, but also in improving therapeutic management associated with hormonal imbalance. In this review, we extensively summarize and discuss: i) drawbacks of laboratory methods for fertility testing (costly, invasive, complex) and commercially available point-of-care tests (measuring only one/two of the four key hormones), ii) the understanding of different biosensors for fertility monitoring, and iii) an in-depth classification and overview of aptamer-based sensing of the hormones of interest. This review provides insights on hormone detection strategies for fertility, with a focus on the classification of the current ‘aptasensing’ strategies, aiming to assist as a basic guide for the development of accurate fertility window monitoring tools based on aptamers. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000890547600004 |
Publication Date |
2022-11-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
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| |
ISSN |
0956-5663 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
12.6 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
|
Approved |
Most recent IF: 12.6; 2023 IF: 7.78 |
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| |
Call Number |
UA @ admin @ c:irua:191711 |
Serial |
8833 |
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| Permanent link to this record |
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Author |
Sebhatu, K.T.; Taheri, F.; Berhanu, T.; Maertens, M.; Van Passel, S.; D'Haese, M. |
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Title |
Beyond focus : exploring variability of service provision of agricultural cooperatives |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Annals of public and cooperative economics |
Abbreviated Journal |
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| |
Volume |
92 |
Issue |
2 |
Pages |
207-231 |
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Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
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Abstract |
The wide array of services provided by agricultural cooperatives for their members is often not considered in academic studies. Addressing this gap in the literature, our paper explores the wide array of services provided by agricultural cooperatives and how these extend beyond those they were initially intended to provide. We study the extent and characteristics of service portfolios from 511 agricultural cooperatives in the Tigray region of Ethiopia. Results from two-limit Tobit models confirm that government and NGO-initiated cooperatives have a wide service portfolio compared to member-initiated cooperatives. In many of the studied cooperatives, the services they provide and their portfolios are more diverse than expected. Cooperatives seem to go beyond their focal areas of intervention. Also, those cooperatives that are more outward-oriented and where the chair has contact with other cooperatives or businesses, have a wider service portfolio. These results may help to explain the mixed findings on the impact of cooperative membership. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000583855500001 |
Publication Date |
2020-10-27 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1370-4788; 1467-8292 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
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| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:173574 |
Serial |
6916 |
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| Permanent link to this record |
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Author |
Polanco, C.A.; Pandey, T.; Berlijn, T.; Lindsay, L. |
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Title |
Defect-limited thermal conductivity in MoS₂ |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Physical review materials |
Abbreviated Journal |
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| |
Volume |
4 |
Issue |
1 |
Pages |
014004-14009 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The wide measured range of thermal conductivities (k) for monolayer MoS2 and the corresponding incongruent calculated values in the literature all suggest that extrinsic defect thermal resistance is significant and varied in synthesized samples of this material. Here we present defect-mediated thermal transport calculations of MoS2 using interatomic forces derived from density functional theory combined with Green's function methods to describe phonon-point-defect interactions and a Peierls-Boltzmann formalism for transport. Conductivity calculations for bulk and monolayer MoS2 using different density functional formalisms are compared. Nonperturbative first-principles methods are used to describe defect-mediated spectral functions, scattering rates, and phonon k, particularly from sulfur vacancies (VS), and in the context of the plethora of measured and calculated literature values. We find that k of monolayer MoS2 is sensitive to phonon-VS scattering in the range of experimentally observed densities, and that first-principles k calculations using these densities can explain the range of measured values found in the literature. Furthermore, measured k values for bulk MoS2 are more consistent because VS defects are not as prevalent. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000619240000001 |
Publication Date |
2020-01-16 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.4 |
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: 3.4; 2020 IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:190510 |
Serial |
7757 |
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| Permanent link to this record |
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Author |
Ennaert, T.; Geboers, J.; Gobechiya, E.; Courtin, C.M.; Kurttepeli, M.; Houthoofd, K.; Kirschhock, C.E.A.; Magusin, P.C.M.M.; Bals, S.; Jacobs, P.A.; Sels, B.F. |
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Title |
Conceptual frame rationalizing the self-stabilization of H-USY zeolites in hot liquid water |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
ACS catalysis |
Abbreviated Journal |
Acs Catal |
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| |
Volume |
5 |
Issue |
5 |
Pages |
754-768 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The wide range of liquid-phase reactions required for the catalytic conversion of biomass compounds into new bioplatform molecules defines a new set of challenges for the development of active, selective, and stable catalysts. The potential of bifunctional Ru/H-USY catalysts for conversions in hot liquid water (HLW) is assessed in terms of physicochemical stability and long-term catalytic performance of acid sites and noble metal functionality, as probed by hydrolytic hydrogenation of cellulose. It is shown that zeolite desilication is the main zeolite degradation mechanism in HLW. USY zeolite stability depends on two main parameters, viz., framework and extra-framework aluminum content. The former protects the zeolite lattice by counteracting hydrolysis of framework bonds, and the latter, when located at the external crystal surface, prevents solubilization of the zeolite framework which is the result of its low water-solubility. Hence, the hot liquid water stability of commercial H-USY zeolites, in contrast to their steam stability, increased with decreasing Si/AI ratio. As a result, mildly steamed USY zeolites containing a high amount of both Al species exhibit the highest resistance to HLW. During an initial period of transformations, Al-rich zeolites form additional protective extra-framework Al species at the outer surface, self-stabilizing the framework. A critical bulk Si/AI ratio of 3 was determined whereby USY zeolites with a lower Si/AI ratio will self-stabilize over time. Besides, due to the initial transformation period, the accessibility of the catalytic active sites is extensively enhanced resulting in a material that is more stable and drastically more accessible to large substrates than the original zeolite. When these findings are applied in the hydrolytic hydrogenation of cellulose, unprecedented nearly quantitative hexitol yields were obtained with a stable catalytic system. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000349275300031 |
Publication Date |
2014-12-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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| |
ISSN |
2155-5435;2155-5435; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
10.614 |
Times cited |
65 |
Open Access |
OpenAccess |
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| |
Notes |
335078 Colouratom; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 10.614; 2015 IF: 9.312 |
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Call Number |
c:irua:125288 |
Serial |
474 |
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| Permanent link to this record |
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Author |
Van de Put, M.L.; Sorée, B.; Magnus, W. |
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Title |
Efficient solution of the Wigner-Liouville equation using a spectral decomposition of the force field |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of computational physics |
Abbreviated Journal |
J Comput Phys |
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| |
Volume |
350 |
Issue |
|
Pages |
314-325 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The Wigner-Liouville equation is reformulated using a spectral decomposition of the classical force field instead of the potential energy. The latter is shown to simplify the Wigner-Liouville kernel both conceptually and numerically as the spectral force Wigner-Liouville equation avoids the numerical evaluation of the highly oscillatory Wigner kernel which is nonlocal in both position and momentum. The quantum mechanical evolution is instead governed by a term local in space and non-local in momentum, where the non locality in momentum has only a limited range. An interpretation of the time evolution in terms of two processes is presented; a classical evolution under the influence of the averaged driving field, and a probability-preserving quantum-mechanical generation and annihilation term. Using the inherent stability and reduced complexity, a direct deterministic numerical implementation using Chebyshev and Fourier pseudo-spectral methods is detailed. For the purpose of illustration, we present results for the time evolution of a one-dimensional resonant tunneling diode driven out of equilibrium. (C) 2017 Elsevier Inc. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
New York |
Editor |
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Language |
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Wos |
000413379000016 |
Publication Date |
2017-09-02 |
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| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
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| |
ISSN |
0021-9991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.744 |
Times cited |
5 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 2.744 |
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Call Number |
UA @ lucian @ c:irua:146630 |
Serial |
4780 |
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| Permanent link to this record |
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Author |
Horemans, B.; Schalm, O.; De Wael, K.; Cardell, C.; Van Grieken, R. |
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Title |
Atmospheric composition and micro-climate in the Alhambra monument, Granada (Spain), in the context of preventive conservation |
Type |
P1 Proceeding |
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Year |
2012 |
Publication |
IOP conference series : materials science and engineering |
Abbreviated Journal |
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Volume |
37 |
Issue |
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Pages |
012002-12008 |
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Keywords |
P1 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The world famous Alhambra monument in Granada, Southern Spain, listed as UNESCO world cultural heritage since 1984, represents probably the most beautiful example of Islamic art and architecture from the Middle Ages in Europe. It is visited by ca. 2 million people annually. Granada is situated in a natural basin, surrounded by mountains with altitudes up to 3500 m. Due to this topography and the prevailing low wind speeds, pollution-derived and especially traffic-derived particulate matter often accumulates in the urban air. In order to evaluate the potential conservation risks from the surrounding air, the atmospheric composition in the Alhambra monument was evaluated. Indoor temperature and relative humidity fluctuations were evaluated for their potential degenerative effects. Furthermore, the atmospheric composition in the Alhambra was analyzed in terms of inorganic gases (NO2, SO2, O3, and NH3) and black carbon. It was found that the open architecture protected the indoor environments from developing a potentially harmful microclimate, such as the build-up of humidity resulting from the huge number of daily tourists. On the downside, the strong ventilation made the indoor air hardly different from outdoor air, as characterized by strong diurnal temperature and relative humidity gradients and high traffic-derived pollutant levels. |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000307662000002 |
Publication Date |
2012-07-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1757-8981; 1757-899x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
1 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:100112 |
Serial |
5484 |
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| Permanent link to this record |
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Author |
Neven, L.; Thiruvottriyur Shanmugam, S.; Rahemi, V.; Trashin, S.; Sleegers, N.; Carrion, E.N.; Gorun, S.M.; De Wael, K. |
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Title |
Optimized photoelectrochemical detection of essential drugs bearing phenolic groups |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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Volume |
91 |
Issue |
15 |
Pages |
9962-9969 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The World Health Organization (WHO) model “List of Essential Medicines” includes among indispensable medicines antibacterials and pain and migraine relievers. Monitoring their concentration in the environment, while challenging, is important in the context of antibiotic resistance as well as their production of highly toxic compounds via hydrolysis. Traditional detection methods such as high-performance liquid chromatography (HPLC) or LC combined with tandem mass spectrometry or UV-vis spectroscopy are time-consuming, have a high cost, require skilled operators and are difficult to adapt for field operations. In contrast, (electrochemical) sensors have elicited interest because of their rapid response, high selectivity, and sensitivity as well as potential for on-site detection. Previously, we reported a novel sensor system based on a type II photosensitizer, which combines the advantages of enzymatic sensors (high sensitivity) and photoelectrochemical sensors (easy baseline subtraction). Under red-light illumination, the photosensitizer produces singlet oxygen which oxidizes phenolic compounds present in the sample. The subsequent reduction of the oxidized phenolic compounds at the electrode surface gives rise to a quantifiable photocurrent and leads to the generation of a redox cycle. Herein we report the optimization in terms of pH and applied potential of the photoelectrochemical detection of the hydrolysis product of paracetamol, i.e., 4-aminophenol (4-AP), and two antibacterials, namely, cefadroxil (CFD, beta-lactam antibiotic) and doxycycline (DXC, tetracycline antibiotic). The optimized conditions resulted in a detection limit of 0.2 mu mol L-1 for DXC, but in a 10 times higher sensitivity, 20 nmol L-1, for CFD. An even higher sensitivity, 7 nmol L-1, was noted for 4-AP. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Wos |
000480499200086 |
Publication Date |
2019-06-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.32 |
Times cited |
2 |
Open Access |
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Notes |
; FWO and UA-BOF are acknowledged for financial support. The Center for Functional Materials of Seton Hall University is thanked for support (S.M.G. and E.N.C.). Joren Van Loon is thanked for the graphical abstract. This research was supported by the medium scale research infrastructure funding Hercules funding (SEM). ; |
Approved |
Most recent IF: 6.32 |
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Call Number |
UA @ admin @ c:irua:161831 |
Serial |
5763 |
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| Permanent link to this record |
