|
Records |
|
Author |
Radepont, M.; de Nolf, W.; Janssens, K.; van der Snickt, G.; Coquinot, Y.; Klaassen, L.; Cotte, M. |
|
Title |
The use of microscopic X-ray diffraction for the study of HgS and its degradation products corderoite (\alpha-Hg3S2Cl2), kenhsuite (\gamma-Hg3S2Cl2) and calomel (Hg2Cl2) in historical paintings |
Type |
A1 Journal article |
|
Year |
2011 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
|
Volume |
26 |
Issue |
5 |
Pages |
959-968 |
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
Abstract |
Since antiquity, the red pigment mercury sulfide (α-HgS), called cinnabar in its natural form or vermilion red when synthetic, was very often used in frescoes and paintings, even if it was known to suffer occasionally from degradation. The paint hereby acquires a black or silver-grey aspect. The chemical characterization of these alteration products is rather challenging mainly because of the micrometric size and heterogeneity of the surface layers that develop and that are responsible for the color change. Methods such as electron microscopy, synchrotron-based microscopic X-ray fluorescence, microscopic X-ray absorption near edge spectroscopy, Raman microscopy and secondary ion microscopy have been previously employed to identify the (Hg- and S-) compounds present and to study their co-localization. Next to these, also microscopic X-ray diffraction (XRD) (either by making use of laboratory X-ray sources or when used at a synchrotron facility) allows the identification of the crystal phases that are present in degraded HgS paint layers. In this paper we employ these various forms of micro-XRD to analyze degraded red paint in different paintings and compare the results with other X-ray based methods. Whereas the elemental analyses of the degradation products revealed, next to mercury and sulfur, the presence of chlorine, X-ray diffraction allowed the identification, next to α-HgS, of the Hg and S-containing compound calomel (Hg2Cl2) but also of the Hg, S and Cl-containing minerals corderoite (α-Hg3S2Cl2) and kenhsuite (γ-Hg3S2Cl2). These observations are consistent with X-ray absorption spectroscopy measurements performed at the S- and Cl-edges. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000289731900011 |
Publication Date |
2011-03-03 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0267-9477 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.379 |
Times cited |
40 |
Open Access |
|
|
Notes |
; The authors gratefully acknowledge GOA programme “XANES meets EELS'' (University of Antwerp Research Council), the IUAP VI/P16 programme ”Nacho'' (BELSPO, Brussels, Belgium) and FWO (Brussels, Belgium) projects no. G.0689.06, G.0704.08 and G017909N for financial support, the ESRF for granting beamtime under proposals no. EC442 and EC720, and Gema Martinez-Criado for practical help on ID18F. The KMSKA staff is also gratefully acknowledged for their help and interest. Javier Chillida is thanked for providing us with the Pedralbes samples. The authors are also indebted to the CHARISMA project (grant agreement 228330) for financial support. ; |
Approved |
Most recent IF: 3.379; 2011 IF: 3.220 |
|
Call Number |
UA @ admin @ c:irua:89927 |
Serial |
5896 |
Permanent link to this record |
|
|
|
|
Author |
Vermeulen, M.; Nuyts, G.; Sanyova, J.; Vila, A.; Buti, D.; Suuronen, J.-P.; Janssens, K. |
|
Title |
Visualization of As(III) and As(V) distributions in degraded paint micro-samples from Baroque- and Rococo-era paintings |
Type |
A1 Journal article |
|
Year |
2016 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
|
Volume |
31 |
Issue |
9 |
Pages |
1913-1921 |
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
Abstract |
Orpiment and realgar, both arsenic sulfide pigments respectively used for their vivid yellow and red-orange hues, are two of many artists' pigments that appear not to be stable upon light exposure, quickly degrading to arsenic trioxide and arsenate. This often results in whitening or transparency in the painted surfaces. While conventional techniques such as microscopic Raman (mu-RS) and microscopic Fourier transform infrared (mu-FTIR) spectroscopies can allow a quick and relatively easy identification of the orpiment, realgar, artificial arsenic sulfide glass and, to some extent, arsenic oxide, the identification and visualization of distributions of the degradation products – and especially arsenate compounds – in the paint micro-samples is generally more challenging. This challenge is due to the rather unfavorable limit of detection and low spectral resolution of such conventional spectroscopic techniques. This restricts the conclusions that can be drawn regarding the conservation state of valuable works of art. In this paper, we present how synchrotron radiation (SR) based techniques can overcome this challenge while working on painting cross-sections taken from a 17th-century painting by the Flemish artist Daniel Seghers (oil on canvas, Statens Museum for Kunst, Denmark) and an 18th-century French Chinoiserie (private collection, France). SR micro-X-ray fluorescence (m-XRF) mapping analysis performed on a visually degraded orpiment-containing paint stratigraphy reveals that arsenic is distributed throughout the entire cross-section, while X-ray absorption near edge structure (mu-XANES) demonstrated that the arsenic is present in both arsenite (As-III) and arsenate (As-V) forms. The latter compound(s), despite being barely identifiable by means of FTIR, were not only located at the surface of large and partially altered grains of arsenic sulfide but also spread throughout the entire paint stratigraphy. Their presence and distribution are attributed either to the complete degradation of smaller arsenic sulfide grains or to migration of the arsenates within the paint layer away from their original location of formation. The combination of mu-XRF and mu-XANES was very useful for the characterization of the advanced degradation state of the arsenic-containing pigments in paint systems; this type of information could not be obtained by means of conventional spectroscopic methods of microanalysis. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000382071200017 |
Publication Date |
2016-08-01 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0267-9477 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.379 |
Times cited |
20 |
Open Access |
|
|
Notes |
; This research is made possible with the support of the Belgian Science Policy Office (BELSPO) through the research program Science for a Sustainable Development – SDD, “Long-term role and fate of metal-sulfides in painted works of art – S2ART” (SD/RI/04A). The CATS gratefully acknowledge VILLUM FONDEN and VELUX FONDEN for infra-structural financial support as well as Anne Haack Christensen, Hannah Tempest and Johanne M. Nielsen for their help and suggestions. The European Synchrotron Radiation Facility is acknowledged for provision of synchrotron radiation facilities. ; |
Approved |
Most recent IF: 3.379 |
|
Call Number |
UA @ admin @ c:irua:135691 |
Serial |
5907 |
Permanent link to this record |
|
|
|
|
Author |
Blommaerts, N.; Dingenen, F.; Middelkoop, V.; Savelkouls, J.; Goemans, M.; Tytgat, T.; Verbruggen, S.W.; Lenaerts, S. |
|
Title |
Ultrafast screening of commercial sorbent materials for VOC adsorption using real-time FTIR spectroscopy |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Separation and purification technology |
Abbreviated Journal |
Sep Purif Technol |
|
Volume |
207 |
Issue |
207 |
Pages |
284-290 |
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
|
Abstract |
Recovery of valuable volatile organic compounds (VOCs) from waste streams is of great industrial importance. Adsorption on zeolites offers an economically and environmentally friendly alternative to conventional activated carbon. When evaluating the suitability of a given zeolite for a particular adsorption application, its adsorption capacity has to be determined. This is traditionally achieved using gas chromatography as an analysis tool, yielding only a few discrete sampling points that constitute the adsorption profile. Meanwhile, only low flow rates and low concentrations of volatile organics can be used, rendering the procedure troublesome and time consuming. Herein, we propose a tool for the fast screening of a large amount of zeolites using on-line and quasi real-time Fourier Transform Infrared Spectroscopy (FTIR). The technique was used to determine the adsorption capacity of three different commercial zeolites and two silica gels, for five industrially relevant VOCs: acetone; methanol; isohexane; isopentane; and toluene. A series of rapid measurements of the individual adsorption capacities were carried out to obtain a detailed overview of the versatility of the proposed method for the characterization of multi-component and multi-sorption bed systems. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000445987500032 |
Publication Date |
2018-06-27 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1383-5866 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.359 |
Times cited |
5 |
Open Access |
|
|
Notes |
; We would like to thank Vlaams Agenschap Innoveren & Ondernemen (VLAIO) for financial support. The authors would also like to thank Kureha GmbH, Germany for kindly supplying us with their BAC (R) (bead-shaped activated carbon) samples. ; |
Approved |
Most recent IF: 3.359 |
|
Call Number |
UA @ admin @ c:irua:154694 |
Serial |
6000 |
Permanent link to this record |
|
|
|
|
Author |
Thomassen, G.; Egiguren Vila, U.; Van Dael, M.; Lemmens, B.; Van Passel, S. |
|
Title |
A techno-economic assessment of an algal-based biorefinery |
Type |
A1 Journal article |
|
Year |
2016 |
Publication |
Clean Technologies And Environmental Policy |
Abbreviated Journal |
Clean Technol Envir |
|
Volume |
18 |
Issue |
6 |
Pages |
1849-1862 |
|
Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
|
Abstract |
Economic and technological assessments have identified difficulties with the commercialization of bulk products from microalgae, like biofuels. To overcome these problems, a multi-product algal-based biorefinery has been proposed. This paper performs a techno-economic assessment of such a biorefinery. Four production pathways, ranging from a base case with commercial technologies to an improved case with innovative technologies, are analyzed. All region-specific parameters were adapted to Belgian conditions. Three scenarios result in techno-economically viable production plants. The most profitable scenario is the scenario which uses a specialized membrane for medium recycling and an open pond algae cultivation. Although the inclusion of a photobioreactor decreases the culture medium costs, the higher investment costs result in lower economic profits. The carotenoid content and price are identified as critical parameters. Furthermore, the economies of scale assumption for the photobioreactor is critical for the feasibility of this cultivation technology. The techno-economic assessment is an important methodology to guide and evaluate further improvements in research and shorten the time-to-market for innovative technologies in this field. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000384470700017 |
Publication Date |
2016-03-26 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1618-954x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
|
Impact Factor |
3.331 |
Times cited |
24 |
Open Access |
|
|
Notes |
; We would like to thank Herman Beckers, Metin Bulut, Frans Snijkers, Joris van der Have, Jan Vanderheyden, Leen Bastiaens, and Lies Eykens for the provision of technological and economic data and the useful discussions on the assumptions in the model. We would also like to thank Eva Cordery for proofreading the article and the anonymous reviewers for their valuable feedback and suggestions. Furthermore, we gratefully acknowledge the financial support of the Fundacion Novia Salcedo. ; |
Approved |
Most recent IF: 3.331 |
|
Call Number |
UA @ admin @ c:irua:139027 |
Serial |
6262 |
Permanent link to this record |
|
|
|
|
Author |
De Schepper, E.; Van Passel, S.; Lizin, S.; Achten, W.M.J.; Van Acker, K. |
|
Title |
Cost-efficient emission abatement of energy and transportation technologies : mitigation costs and policy impacts for Belgium |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Clean Technologies And Environmental Policy |
Abbreviated Journal |
Clean Technol Envir |
|
Volume |
16 |
Issue |
6 |
Pages |
1107-1118 |
|
Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
|
Abstract |
In the light of global warming, this paper develops a framework to compare energy and transportation technologies in terms of cost-efficient GHG emission reduction. We conduct a simultaneous assessment of economic and environmental performances through life cycle costing and life cycle assessment. To calculate the GHG mitigation cost, we create reference systems within the base scenario. Further, we extend the concept of the mitigation cost, allowing (i) comparision of technologies given a limited investment resource, and (ii) evaluation of the direct impact of policy measures by means of the subsidized mitigation cost. The framework is illustrated with a case of solar photovoltaics (PV), grid powered battery electric vehicles (BEVs), and solar powered BEVs for a Belgian small and medium sized enterprise. The study's conclusions are that the mitigation cost of solar PV is high, even though this is a mature technology. The emerging mass produced BEVs on the other hand are found to have a large potential for cost-efficient GHG mitigation as indicated by their low cost of mitigation. Finally, based on the subsidized mitigation cost, we conclude that the current financial stimuli for all three investigated technologies are excessive when compared to the CO2 market value under the EU Emission Trading Scheme. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000339874900010 |
Publication Date |
2014-02-12 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1618-954x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.331 |
Times cited |
14 |
Open Access |
|
|
Notes |
; ; |
Approved |
Most recent IF: 3.331; 2014 IF: 1.934 |
|
Call Number |
UA @ admin @ c:irua:127543 |
Serial |
6175 |
Permanent link to this record |
|
|
|
|
Author |
Zanin, L.; Tomasi, N.; Rizzardo, C.; Gottardi, S.; Terzano, R.; Alfeld, M.; Janssens, K.; De Nobili, M.; Mimmo, T.; Cesco, S. |
|
Title |
Iron allocation in leaves of Fe-deficient cucumber plants fed with natural Fe complexes |
Type |
A1 Journal article |
|
Year |
2015 |
Publication |
Physiologia plantarum |
Abbreviated Journal |
Physiol Plantarum |
|
Volume |
154 |
Issue |
1 |
Pages |
82-94 |
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
Abstract |
Iron (Fe) sources available for plants in the rhizospheric solution are mainly a mixture of complexes between Fe and organic ligands, including phytosiderophores (PS) and water-extractable humic substances (WEHS). In comparison with the other Fe sources, Fe-WEHS are more efficiently used by plants, and experimental evidences show that Fe translocation contributes to this better response. On the other hand, very little is known on the mechanisms involved in Fe allocation in leaves. In this work, physiological and molecular processes involved in Fe distribution in leaves of Fe-deficient Cucumis sativus supplied with Fe-PS or Fe-WEHS up to 5days were studied combining different techniques, such as radiochemical experiments, synchrotron micro X-ray fluorescence, real-time reverse transcription polymerase chain reaction and in situ hybridization. In Fe-WEHS-fed plants, Fe was rapidly (1day) allocated into the leaf veins, and after 5days, Fe was completely transferred into interveinal cells; moreover, the amount of accumulated Fe was much higher than with Fe-PS. This redistribution in Fe-WEHS plants was associated with an upregulation of genes encoding a ferric(III)-chelate reductase (FRO), a Fe2+ transporter (IRT1) and a natural resistance-associated macrophage protein (NRAMP). The localization of FRO and IRT1 transcripts next to the midveins, beside that of NRAMP in the interveinal area, may suggest a rapid and efficient response induced by the presence of Fe-WEHS in the extra-radical solution for the allocation in leaves of high amounts of Fe. In conclusion, Fe is more efficiently used when chelated to WEHS than PS and seems to involve Fe distribution and gene regulation of Fe acquisition mechanisms operating in leaves. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000353067500007 |
Publication Date |
2014-10-07 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0031-9317 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.33 |
Times cited |
14 |
Open Access |
|
|
Notes |
; Research was supported by grants from Italian MIUR (FIRB-Programma 'Futuro in Ricerca') and Free University of Bolzano (TN5056). Synchrotron experiments at HASYLAB were financially supported by the European Community-Research Infrastructure Action under the FP6 'Structuring the European Research Area' Program I (Integrating Activity on Synchrotron and Free Electron Laser Science; project: contract RII3-CT-2004-506008). We thank Karen Appel for her scientific and technical support in obtaining the experimental data at Beamline L (HASYLAB, DESY, Hamburg, Germany). ; |
Approved |
Most recent IF: 3.33; 2015 IF: 3.138 |
|
Call Number |
UA @ admin @ c:irua:132500 |
Serial |
5678 |
Permanent link to this record |
|
|
|
|
Author |
Van Schoubroeck, S.; Springael, J.; Van Dael, M.; Malina, R.; Van Passel, S. |
|
Title |
Sustainability indicators for biobased chemicals : a Delphi study using multi-criteria decision analysis |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
Resources Conservation And Recycling |
Abbreviated Journal |
Resour Conserv Recy |
|
Volume |
144 |
Issue |
144 |
Pages |
198-208 |
|
Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
|
Abstract |
Biobased chemistry has gained interest and has the potential to tackle some of the sustainability challenges the chemical industry must endure. Sustainability impacts need to be evaluated and monitored to highlight the advantages and pitfalls of different biobased routes over the entire product life cycle. This study aims for expert consensus concerning indicators needed and preferred for sustainability analysis of biobased chemicals in Europe. Experts are consulted by means of a Delphi method with stakeholders selected from three core groups: the private, public and academic sector. Best-Worst Scaling (BWS) is performed to gather data on the prioritization of the sustainability indicators per respondent. Afterwards, Multi-Criteria Decision Analysis (MCDA) is used to develop a consensus ranking among the experts. The results show that GHG emissions, market potential and acceptance of biobased materials are deemed the most crucial indicators for respectively environmental, economic and social sustainability. Expert consensus is positive in all three sustainability domains, with the strongest consensus measured for environmental sustainability showing a median Kendalls τ of 0.63 (τ ranging from -1 to 1) and the weakest consensus found within social sustainability showing a median Kendalls τ of 0.50. Further research can apply the ranked indicators on specific case studies to evaluate the practicability of the defined indicator set. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000461534800021 |
Publication Date |
2019-02-01 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0921-3449 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.313 |
Times cited |
4 |
Open Access |
|
|
Notes |
; ; |
Approved |
Most recent IF: 3.313 |
|
Call Number |
UA @ admin @ c:irua:156929 |
Serial |
6255 |
Permanent link to this record |
|
|
|
|
Author |
Lizin, S.; Van Dael, M.; Van Passel, S.; Van Dael, M. |
|
Title |
Battery pack recycling : behaviour change interventions derived from an integrative theory of planned behaviour study |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Resources Conservation And Recycling |
Abbreviated Journal |
Resour Conserv Recy |
|
Volume |
122 |
Issue |
|
Pages |
66-82 |
|
Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
|
Abstract |
Belgium has passed the 45% cap, mandated by the European Union, by achieving a collection rate of over 50% in 2012. Having such a collection rate, Belgium is amongst the frontrunners in battery recycling in Europe. However, despite the efforts, about 40% of used batteries are still not properly collected. Particularly troublesome according to the national producer responsibility organization are the battery packs. In this paper we therefore investigate the drivers and barriers to battery pack drop-off intention perceived by Belgian households using an integrative model based on the Theory of Planned Behaviour. An R2 of 0.64 was found, which according to the literature on partial least squares structural equation modelling signals a moderate yet very close to substantial coefficient of determination. We find that on average perceived behavioural control and moral norms have the largest influence on the intention to drop-off used battery packs as quickly as possible. Based on the insights gained, recommendations are made for both behaviour change interventions and future research. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000401881300007 |
Publication Date |
2017-02-15 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0921-3449 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
|
Impact Factor |
3.313 |
Times cited |
21 |
Open Access |
|
|
Notes |
; The corresponding author wishes to thank the Research Foundation Flanders (FWO) for granting him a postdoctoral grant [grant number: 12G5415N]. Furthermore, the second author wishes to express her gratitude for funding her to the SUMMA policy platform. Furthermore, we wish to express our sincere gratitude to Peter Coonen and Nele Peeters of Bebat for their time and willingness to share information with us. ; |
Approved |
Most recent IF: 3.313 |
|
Call Number |
UA @ admin @ c:irua:140681 |
Serial |
6159 |
Permanent link to this record |
|
|
|
|
Author |
Larraín, M.; Van Passel, S.; Thomassen, G.; Van Gorp, B.; Nhu, T.T.; Huysveld, S.; Van Geem, K.M.; De Meester, S.; Billen, P. |
|
Title |
Techno-economic assessment of mechanical recycling of challenging post-consumer plastic packaging waste |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Resources Conservation And Recycling |
Abbreviated Journal |
Resour Conserv Recy |
|
Volume |
170 |
Issue |
|
Pages |
105607 |
|
Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
|
Abstract |
Increasing plastic recycling rates is crucial to tackle plastic pollution and reduce consumption of fossil resources. Recycling routes for post-consumer plastic fractions that are technologically and economically feasible remain a challenge. Profitable value chains for recycling mixed film and tray-like plastics have hardly been implemented today, in sharp contrast to recycling of relatively pure fractions such as polyethylene terephthalate and high-density polyethylene bottles. This study examines the economic feasibility of implementing mechanical recycling for plastic waste such as polypropylene, polystyrene, polyethylene films and mixed polyolefins. In most European countries these plastic fractions are usually incinerated or landfilled whilst in fact technologies exist to mechanically recycle them into regranulates or regrinds. Results show that the economic incentives for the recycling of plastic packaging depend predominantly on the product price and product yield. At current price levels, the most profitable plastic fraction to be recycled is PS rigids, with an internal rate of return of 14%, whereas the least profitable feed is a mixed polyolefin fraction with a negative internal rate of return in a scenario with steadily rising oil prices. Moreover, these values would be substantially reduced if oil prices, and therefore plastic product prices decrease. Considering a discount rate of 15% for a 15-year period, mechanical recycling is not profitable if no policy changes would be imposed by governments. Clearly low oil prices may jeopardize the mechanical recycling industry, inducing the need for policies that would increase the demand of recycled products such as imposing minimal recycled content targets. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000667309200042 |
Publication Date |
2021-04-20 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0921-3449 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.313 |
Times cited |
|
Open Access |
OpenAccess |
|
Notes |
|
Approved |
Most recent IF: 3.313 |
|
Call Number |
UA @ admin @ c:irua:177325 |
Serial |
6946 |
Permanent link to this record |
|
|
|
|
Author |
Parchomenko, A.; Nelen, D.; Gillabel, J.; Vrancken, K.C.M.; Rechberger, H. |
|
Title |
Resource effectiveness of the European automotive sector : a statistical entropy analysis over time |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Resources Conservation And Recycling |
Abbreviated Journal |
Resour Conserv Recy |
|
Volume |
169 |
Issue |
|
Pages |
105558 |
|
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
|
Abstract |
The European automotive sector is faced with potentially disruptive challenges. In particular, the projected increase in the share of electric vehicles (EVs) and calls to prepare for the implementation of more circular economy (CE) strategies are increasingly demanding systemic adaptations. Given the goals of the CE, the adaptations should enable a maximal preservation of the function and value of products (e.g. extension of lifetime), components (e.g. reuse of parts) and materials (e.g., material recycling), thus saving on the energy, materials and effort that would be required to restore the lost functionalities. In this context, statistical entropy analysis (SEA) is proposed as a methodology to assess the effort needed for preserving and restoring functionality at different product, component and material life cycle stages. Effort is measured as changes in statistical entropy that are caused by concentration and dilution activities in the production – consumption – End-of-Life (EoL) system. SEA was applied to a generic model of the European automotive system, in combination with a stock-driven model and a material flow analysis (MFA), allowing statistical entropy changes to be projected over time. The paper demonstrates how SEA can facilitate decision making on the transition towards a more circular economy by quantifying the effects of particular CE strategies and their combinations. The results show that without any additional system adaptations, an increasing share of EVs towards the year 2050 will lead to substantially increased effort in production as well as end-of-life vehicle treatment. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000657320800074 |
Publication Date |
2021-03-18 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0921-3449 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.313 |
Times cited |
|
Open Access |
OpenAccess |
|
Notes |
|
Approved |
Most recent IF: 3.313 |
|
Call Number |
UA @ admin @ c:irua:179770 |
Serial |
8475 |
Permanent link to this record |
|
|
|
|
Author |
Khaydarov, R.T.; Beisinbaeva, H.B.; Sabitov, M.M.; Kalal, M.; Berdiyorov, G.R. |
|
Title |
Conditions defining the mechanisms of the formation of light gas ions in multicomponent laser-produced plasmas |
Type |
A1 Journal article |
|
Year |
2010 |
Publication |
Nuclear fusion |
Abbreviated Journal |
Nucl Fusion |
|
Volume |
50 |
Issue |
10 |
Pages |
105007,1-105007,4 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
Using the mass-spectrometric method we study the charge, energy and spatial characteristics of ions in multicomponent plasma, generated under the action of Nd : YAG laser radiation on the surface of solid targets. We focus on the effect of the entry form of light gas atoms on the parameters of ions in such laser-produced plasmas. We found that the presence of light gas atoms considerably affects the parameters (e.g. the intensity and the charge multiplicity) of the heavier ions. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Vienna |
Editor |
|
|
Language |
|
Wos |
000281859300008 |
Publication Date |
2010-08-21 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0029-5515;1741-4326; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.307 |
Times cited |
1 |
Open Access |
|
|
Notes |
; ; |
Approved |
Most recent IF: 3.307; 2010 IF: 3.303 |
|
Call Number |
UA @ lucian @ c:irua:84876 |
Serial |
476 |
Permanent link to this record |
|
|
|
|
Author |
Khaydarov, R.T.; Beisinbaeva, H.B.; Sabitov, M.M.; Kalal, M.; Berdiyorov, G.R. |
|
Title |
Effect of light gas atom inclusions on the characteristics of laser-produced plasma ions |
Type |
A1 Journal article |
|
Year |
2011 |
Publication |
Nuclear fusion |
Abbreviated Journal |
Nucl Fusion |
|
Volume |
51 |
Issue |
10 |
Pages |
103041,1-103041,3 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
Using the mass-spectrometric method we studied the effect of light gas inclusions on the formation process of multi-component laser-induced plasma ions. Masscharge characteristics, as well as energy and spatial distribution of the plasma ions are analysed. We found that both the energy and maximal charge of heavy component ions decrease due to the presence of gas atoms in the solid target surface layer. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Vienna |
Editor |
|
|
Language |
|
Wos |
000296603800043 |
Publication Date |
2011-09-23 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0029-5515;1741-4326; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.307 |
Times cited |
1 |
Open Access |
|
|
Notes |
; ; |
Approved |
Most recent IF: 3.307; 2011 IF: 4.090 |
|
Call Number |
UA @ lucian @ c:irua:93761 |
Serial |
821 |
Permanent link to this record |
|
|
|
|
Author |
Khaydarov, R.T.; Beisinbaeva, H.B.; Sabitov, N.M.; Terentev, V.B.; Berdiyorov, G.R. |
|
Title |
Effect of neutron irradiation on the characteristics of laser-produced plasma |
Type |
A1 Journal article |
|
Year |
2010 |
Publication |
Nuclear fusion |
Abbreviated Journal |
Nucl Fusion |
|
Volume |
50 |
Issue |
2 |
Pages |
025024,1-025024,5 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
Using the mass-spectrometric method we studied the formation of multi-charged plasma ions during the interaction of laser radiation with solid targets irradiated by neutron beams. We found that structural defects, caused by the neutron irradiation, influence not only the efficiency of the process of material evaporation and emission of plasma, but also the ionization and recombination processes taking place at the initial stage of plasma formation and expansion. We also show the effect of the dose of neutron irradiation on the threshold of plasma formation from the surface of the target. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Vienna |
Editor |
|
|
Language |
|
Wos |
000275322200029 |
Publication Date |
2010-01-27 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0029-5515;1741-4326; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.307 |
Times cited |
3 |
Open Access |
|
|
Notes |
; This work was supported by MINVIZ Uzbekistan and by IAEA (No 13738). G. R. B acknowledges support from FWO-Vlaanderen. ; |
Approved |
Most recent IF: 3.307; 2010 IF: 3.303 |
|
Call Number |
UA @ lucian @ c:irua:81769 |
Serial |
825 |
Permanent link to this record |
|
|
|
|
Author |
Meert, K.W.; Morozov, V.A.; Abakumov, A.M.; Hadermann, J.; Poelman, D.; Smet, P.F. |
|
Title |
Energy transfer in Eu3+ doped scheelites : use as thermographic phosphor |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Optics express |
Abbreviated Journal |
Opt Express |
|
Volume |
22 |
Issue |
9 |
Pages |
A961-A972 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
In this paper the luminescence of the scheelite-based CaGd2(1-x)Eu2x(WO4)4 solid solutions is investigated as a function of the Eu content and temperature. All phosphors show intense red luminescence due to the 5D0 7F2 transition in Eu3+, along with other transitions from the 5D1 and 5D0 excited states. For high Eu3+ concentrations the intensity ratio of the emission originating from the 5D1 and 5D0 levels has a non-conventional temperature dependence, which could be explained by a phonon-assisted cross-relaxation process. It is demonstrated that this intensity ratio can be used as a measure of temperature with high spatial resolution, allowing the use of these scheelites as thermographic phosphor. The main disadvantage of many thermographic phosphors, a decreasing signal for increasing temperature, is absent. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000335905300037 |
Publication Date |
2014-04-22 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1094-4087; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.307 |
Times cited |
47 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.307; 2014 IF: 3.488 |
|
Call Number |
UA @ lucian @ c:irua:117067 |
Serial |
1044 |
Permanent link to this record |
|
|
|
|
Author |
Roose, D.; Leroux, F.; de Vocht, N.; Guglielmetti, C.; Pintelon, I.; Adriaensen, D.; Ponsaerts, P.; van der Linden, A.-M.; Bals, S. |
|
Title |
Multimodal imaging of micron-sized iron oxide particles following in vitro and in vivo uptake by stem cells: down to the nanometer scale |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Contrast media and molecular imaging |
Abbreviated Journal |
Contrast Media Mol I |
|
Volume |
9 |
Issue |
6 |
Pages |
400-408 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Bio-Imaging lab |
|
Abstract |
In this study, the interaction between cells and micron-sized paramagnetic iron oxide (MPIO) particles was investigated by characterizing MPIO in their original state, and after cellular uptake in vitro as well as in vivo. Moreover, MPIO in the olfactory bulb were studied 9months after injection. Using various imaging techniques, cell-MPIO interactions were investigated with increasing spatial resolution. Live cell confocal microscopy demonstrated that MPIO co-localize with lysosomes after in vitro cellular uptake. In more detail, a membrane surrounding the MPIO was observed by high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM). Following MPIO uptake in vivo, the same cell-MPIO interaction was observed by HAADF-STEM in the subventricular zone at 1week and in the olfactory bulb at 9months after MPIO injection. These findings provide proof for the current hypothesis that MPIO are internalized by the cell through endocytosis. The results also show MPIO are not biodegradable, even after 9months in the brain. Moreover, they show the possibility of HAADF-STEM generating information on the labeled cell as well as on the MPIO. In summary, the methodology presented here provides a systematic route to investigate the interaction between cells and nanoparticles from the micrometer level down to the nanometer level and beyond. Copyright (c) 2014 John Wiley Sons, Ltd. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
S.l. |
Editor |
|
|
Language |
|
Wos |
000346172100001 |
Publication Date |
2014-04-24 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1555-4309; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.307 |
Times cited |
5 |
Open Access |
Not_Open_Access |
|
Notes |
; The authors would like to thank Sofie Thys for her technical support. The UltraVIEW VoX spinning disk confocal microscope was purchased with support of the Hercules Foundation (Hercules Type 1: AUHA 09/001 and AUHA 11/01). The authors also appreciate financial support from the European Union under the Seventh Framework Program (Integrated Infrastructure Initiative no. 262348 European Soft Matter Infrastructure, ESMI), the Fund for Scientific Research- Flanders and the Flemish Institute for Science and Technology and the Belgian government through the Interuniversity Attraction Pole Program (IAP- PAI). ; |
Approved |
Most recent IF: 3.307; 2014 IF: 2.923 |
|
Call Number |
UA @ lucian @ c:irua:122750 |
Serial |
2222 |
Permanent link to this record |
|
|
|
|
Author |
Shestakov, M.V.; Tikhomirov, V.K.; Kirilenko, D.; Kuznetsov, A.S.; Chibotaru, L.F.; Baranov, A.N.; Van Tendeloo, G.; Moshchalkov, V.V. |
|
Title |
Quantum cutting in Li (770 nm) and Yb (1000 nm) co-dopant emission bands by energy transfer from the ZnO nano-crystalline host |
Type |
A1 Journal article |
|
Year |
2011 |
Publication |
Optics express |
Abbreviated Journal |
Opt Express |
|
Volume |
19 |
Issue |
17 |
Pages |
15955-15964 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
Li-Yb co-doped nano-crystalline ZnO has been synthesized by a method of thermal growth from the salt mixtures. X-ray diffraction, transmission electron microscopy, atomic absorption spectroscopy and optical spectroscopy confirm the doping and indicate that the dopants may form Li-Li and Yb3+-Li based nanoclusters. When pumped into the conduction and exciton absorption bands of ZnO between 250 to 425 nm, broad emission bands of about 100 nm half-height-width are excited around 770 and 1000 nm, due to Li and Yb dopants, respectively. These emission bands are activated by energy transfer from the ZnO host mostly by quantum cutting processes, which generate pairs of quanta in Li (770 nm) and Yb (1000 nm) emission bands, respectively, out of one quantum absorbed by the ZnO host. These quantum cutting phenomena have great potential for application in the down-conversion layers coupled to the Si solar cells. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000293894900033 |
Publication Date |
2011-08-04 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1094-4087; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.307 |
Times cited |
19 |
Open Access |
|
|
Notes |
FWO; Methusalem |
Approved |
Most recent IF: 3.307; 2011 IF: 3.587 |
|
Call Number |
UA @ lucian @ c:irua:92428 |
Serial |
2776 |
Permanent link to this record |
|
|
|
|
Author |
Mayer, J.A.; Offermans, T.; Chrapa, M.; Pfannmöller, M.; Bals, S.; Ferrini, R.; Nisato, G. |
|
Title |
Optical enhancement of a printed organic tandem solar cell using diffractive nanostructures |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Optics express |
Abbreviated Journal |
Opt Express |
|
Volume |
26 |
Issue |
26 |
Pages |
A240 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
Solution processable organic tandem solar cells offer a promising approach to achieve cost-effective, lightweight and flexible photovoltaics. In order to further enhance the efficiency of optimized organic tandem cells, diffractive light-management nanostructures were designed for an optimal redistribution of the light as function of both wavelength and propagation angles in both sub-cells. As the fabrication of these optical structures is compatible with roll-to-roll production techniques such as hot-embossing or UV NIL imprinting, they present an optimal cost-effective solution for printed photovoltaics. Tandem cells with power conversion efficiencies of 8-10% were fabricated in the ambient atmosphere by doctor blade coating, selected to approximate the conditions during roll-to-roll manufacturing. Application of the light management structure onto an 8.7% efficient encapsulated tandem cell boosted the conversion efficiency of the cell to 9.5%. (C) 2018 Optical Society of America under the terms of the OSA Open Access Publishing Agreement |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000427900400003 |
Publication Date |
2018-02-26 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1094-4087 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.307 |
Times cited |
9 |
Open Access |
OpenAccess |
|
Notes |
; FP7 European collaborative project SUNFLOWER (FP7-ICT-2011-7, grant number 287594); German Federal Ministry of Education and Research (BMBF) (03xEK3504, project TAURUS); FP7 European project ESTEEM2 (grant number 312483); HEiKA centre FunTECH-3D. ; |
Approved |
Most recent IF: 3.307 |
|
Call Number |
UA @ lucian @ c:irua:150839UA @ admin @ c:irua:150839 |
Serial |
4975 |
Permanent link to this record |
|
|
|
|
Author |
Dong, H.M.; Xu, W.; Peeters, F.M. |
|
Title |
Electrical generation of terahertz blackbody radiation from graphene |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Optics express |
Abbreviated Journal |
Opt Express |
|
Volume |
26 |
Issue |
19 |
Pages |
24621-24626 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
Recent experimental work on the application of graphene for novel illumination motivated us to present a theoretical study of the blackbody radiation emission from a freely suspended graphene driven by a dc electric field. Strong terahertz (THz) emission, with intensity up to mW/cm(2), can be generated with increasing electric field strength due to the heating of electrons in graphene. We show that the intensity of the THz emission generated electrically from graphene depends rather sensitively on the lattice temperature in relatively weak electric fields, whereas it is less sensitive to the lattice temperature in relative strong electric fields. Our study highlights the practical application of graphene as intense THz source where the radiation is generated electrically. (C) 2018 Optical Society of America under the terms of the OSA Open Access Publishing Agreement |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000444705000026 |
Publication Date |
2018-09-05 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1094-4087 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.307 |
Times cited |
14 |
Open Access |
|
|
Notes |
; National Natural Science Foundation of China (NSFC) (11604380, 11574319); Center of Science and Technology of Hefei Academy of Science (2016FXZY002); Department of Science and Technology of Yunnan Province (2016FC001). ; |
Approved |
Most recent IF: 3.307 |
|
Call Number |
UA @ lucian @ c:irua:153632UA @ admin @ c:irua:153632 |
Serial |
5095 |
Permanent link to this record |
|
|
|
|
Author |
Kálna, K.; Mo×ko, M.; Peeters, F.M. |
|
Title |
Electron capture in GaAs quantum wells via electron-electron and optic phonon scattering |
Type |
A1 Journal article |
|
Year |
1996 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
Volume |
68 |
Issue |
|
Pages |
117-119 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
Language |
|
Wos |
A1996TM84700040 |
Publication Date |
0000-00-00 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0003-6951; 1077-3118 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.302 |
Times cited |
10 |
Open Access |
|
|
Notes |
|
Approved |
no |
|
Call Number |
UA @ lucian @ c:irua:15802 |
Serial |
912 |
Permanent link to this record |
|
|
|
|
Author |
Yan, M.; Bogaerts, A.; Goedheer, W.J.; Gijbels, R. |
|
Title |
Electron energy distribution function in capacitively coupled RF discharges: differences between electropositive Ar and electronegative SiH4 discharges |
Type |
A1 Journal article |
|
Year |
2000 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
|
Volume |
9 |
Issue |
|
Pages |
583-591 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
|
|
Language |
|
Wos |
000165341000015 |
Publication Date |
2002-08-25 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0963-0252;1361-6595; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.302 |
Times cited |
21 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.302; 2000 IF: 1.963 |
|
Call Number |
UA @ lucian @ c:irua:34071 |
Serial |
929 |
Permanent link to this record |
|
|
|
|
Author |
Kastalsky, A.; Peeters, F.M.; Chan, W.K.; Florez, L.T.; Harbison, J.P. |
|
Title |
Nonlinear transport phenomena in a triangular quantum well |
Type |
A1 Journal article |
|
Year |
1991 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
Volume |
59 |
Issue |
|
Pages |
1708-1710 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
Language |
|
Wos |
A1991GH40900019 |
Publication Date |
0000-00-00 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0003-6951; 1077-3118 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.302 |
Times cited |
11 |
Open Access |
|
|
Notes |
|
Approved |
no |
|
Call Number |
UA @ lucian @ c:irua:945 |
Serial |
2360 |
Permanent link to this record |
|
|
|
|
Author |
Tennyson, J.; Rahimi, S.; Hill, C.; Tse, L.; Vibhakar, A.; Akello-Egwel, D.; Brown, D.B.; Dzarasova, A.; Hamilton, J.R.; Jaksch, D.; Mohr, S.; Wren-Little, K.; Bruckmeier, J.; Agarwal, A.; Bartschat, K.; Bogaerts, A.; Booth, J.-P.; Goeckner, M.J.; Hassouni, K.; Itikawa, Y.; Braams, B.J.; Krishnakumar, E.; Laricchiuta, A.; Mason, N.J.; Pandey, S.; Petrovic, Z.L.; Pu, Y.-K.; Ranjan, A.; Rauf, S.; Schulze, J.; Turner, M.M.; Ventzek, P.; Whitehead, J.C.; Yoon, J.-S. |
|
Title |
QDB: a new database of plasma chemistries and reactions |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
|
Volume |
26 |
Issue |
26 |
Pages |
055014 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
One of the most challenging and recurring problems when modeling plasmas is the lack of data on the key atomic and molecular reactions that drive plasma processes. Even when there are data for some reactions, complete and validated datasets of chemistries are rarely available. This hinders research on plasma processes and curbs development of industrial applications. The QDB project aims to address this problem by providing a platform for provision, exchange, and validation of chemistry datasets. A new data model developed for QDB is presented. QDB collates published data on both electron scattering and heavy-particle reactions. These data are formed into reaction sets, which are then validated against experimental data where possible. This process produces both complete chemistry sets and identifies key reactions that are currently unreported in the literature. Gaps in the datasets can be filled using established theoretical methods. Initial validated chemistry sets for SF6/CF4/O2 and SF6/CF4/N2/H2 are presented as examples. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000398394500001 |
Publication Date |
2017-04-04 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1361-6595 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.302 |
Times cited |
18 |
Open Access |
OpenAccess |
|
Notes |
|
Approved |
Most recent IF: 3.302 |
|
Call Number |
PLASMANT @ plasmant @ c:irua:142206 |
Serial |
4549 |
Permanent link to this record |
|
|
|
|
Author |
Bruggeman, P.J.; Kushner, M.J.; Locke, B.R.; Gardeniers, J.G.E.; Graham, W.G.; Graves, D.B.; Hofman-Caris, R.C.H.M.; Maric, D.; Reid, J.P.; Ceriani, E.; Fernandez Rivas, D.; Foster, J.E.; Garrick, S.C.; Gorbanev, Y.; Hamaguchi, S.; Iza, F.; Jablonowski, H.; Klimova, E.; Kolb, J.; Krcma, F.; Lukes, P.; Machala, Z.; Marinov, I.; Mariotti, D.; Mededovic Thagard, S.; Minakata, D.; Neyts, E.C.; Pawlat, J.; Petrovic, Z.L.; Pflieger, R.; Reuter, S.; Schram, D.C.; Schröter, S.; Shiraiwa, M.; Tarabová, B.; Tsai, P.A.; Verlet, J.R.R.; von Woedtke, T.; Wilson, K.R.; Yasui, K.; Zvereva, G. |
|
Title |
Plasma–liquid interactions: a review and roadmap |
Type |
A1 Journal article |
|
Year |
2016 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
|
Volume |
25 |
Issue |
5 |
Pages |
053002 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
Plasma–liquid interactions represent a growing interdisciplinary area of research involving plasma science, fluid dynamics, heat and mass transfer, photolysis, multiphase chemistry and aerosol science. This review provides an assessment of the state-of-the-art of this multidisciplinary area and identifies the key research challenges. The developments in diagnostics, modeling and further extensions of cross section and reaction rate databases that are necessary to address these challenges are discussed. The review focusses on nonequilibrium plasmas. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000384715400001 |
Publication Date |
2016-09-30 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1361-6595 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.302 |
Times cited |
460 |
Open Access |
|
|
Notes |
This manuscript originated from discussions at the Lorentz Center Workshop ‘Gas/Plasma–Liquid Interface: Transport, Chemistry and Fundamental Data’ that took place at the Lorentz Center, Leiden University in the Netherlands from August 4, through August 8, 2014, and follow-up discussions since the workshop. All authors acknowledge the support of the Lorentz Center, the COST action TD1208 (Electrical Discharges with Liquids for Future Applications) and the Royal Dutch Academy of Sciences for their financial support. PJB, MJK, DBG and JEF acknowledge the support of the ‘Center on Control of Plasma Kinetics’ of the United States Department of Energy Office of Fusion Energy Science (DE-SC0001319). In addition, PJB and BRL acknowledge the support of the National Science Foundation (PHY 1500135 and CBET 1236225, respectively). In addition the enormous help of Mrs. Victoria Piorek (University of Minnesota) in the formatting of the final document including the references is gratefully acknowledged. |
Approved |
Most recent IF: 3.302 |
|
Call Number |
PLASMANT @ plasmant @ c:irua:144654 |
Serial |
4628 |
Permanent link to this record |
|
|
|
|
Author |
Ramakers, M.; Medrano, J.A.; Trenchev, G.; Gallucci, F.; Bogaerts, A. |
|
Title |
Revealing the arc dynamics in a gliding arc plasmatron: a better insight to improve CO2conversion |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
|
Volume |
26 |
Issue |
12 |
Pages |
125002 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
A gliding arc plasmatron (GAP) is very promising for CO2 conversion into value-added chemicals, but to further improve this important application, a better understanding of the arc behavior is indispensable. Therefore, we study here for the first time the dynamic arc behavior of the GAP by means of a high-speed camera, for different reactor configurations and in a wide range of operating conditions. This allows us to provide a complete image of the behavior of the gliding arc. More specifically, the arc body shape, diameter, movement and rotation speed are analyzed and discussed. Clearly, the arc movement and shape relies on a number of factors, such as gas turbulence, outlet diameter, electrode surface, gas contraction and buoyance force. Furthermore, we also compare the experimentally measured arc movement to a state-of-the-art 3D-plasma model, which predicts the plasma movement and rotation speed with very good accuracy, to gain further insight in the underlying mechanisms. Finally, we correlate the arc dynamics with the CO2 conversion and energy efficiency, at exactly the same conditions, to explain the effect of these parameters on the CO2 conversion process. This work is important for understanding and optimizing the GAP for CO2 conversion. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000414675000001 |
Publication Date |
2017-11-07 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1361-6595 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.302 |
Times cited |
7 |
Open Access |
OpenAccess |
|
Notes |
This work was supported by the Belgian Federal Office for Science Policy (BELSPO) and the Fund for Scientific Research Flanders (FWO; grant numbers G.0383.16N and 11U5316N). |
Approved |
Most recent IF: 3.302 |
|
Call Number |
PLASMANT @ plasmant @c:irua:147023 |
Serial |
4761 |
Permanent link to this record |
|
|
|
|
Author |
Alves, L.L.; Bogaerts, A.; Guerra, V.; Turner, M.M. |
|
Title |
Foundations of modelling of nonequilibrium low-temperature plasmas |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
|
Volume |
27 |
Issue |
2 |
Pages |
023002 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
This work explains the need for plasma models, introduces arguments for choosing the type of model that better fits the purpose of each study, and presents the basics of the most common nonequilibrium low-temperature plasma models and the information available from each one, along with an extensive list of references for complementary in-depth reading. The paper presents the following models, organised according to the level of multi-dimensional description of the plasma: kinetic models, based on either a statistical particle-in-cell/Monte-Carlo approach or the solution to the Boltzmann equation (in the latter case, special focus is given to the description of the electron kinetics); multi-fluid models, based on the solution to the hydrodynamic equations; global (spatially-average) models, based on the solution to the particle and energy rate-balance equations for the main plasma species, usually including a very complete reaction chemistry; mesoscopic models for plasma–surface interaction, adopting either a deterministic approach or a stochastic dynamical Monte-Carlo approach. For each plasma model, the paper puts forward the physics context, introduces the fundamental equations, presents advantages and limitations, also from a numerical perspective, and illustrates its application with some examples. Whenever pertinent, the interconnection between models is also discussed, in view of multi-scale hybrid approaches. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000425688600001 |
Publication Date |
2018-02-20 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1361-6595 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.302 |
Times cited |
17 |
Open Access |
OpenAccess |
|
Notes |
The authors would like to thank A Tejero-Del-Caz and A Berthelot for their technical contributions in writing the manuscript. This work was partially funded by Portuguese FCT —Fundação para a Ciência e a Tecnologia, under projects UID/ FIS/50010/2013, PTDC/FISPLA/1243/2014 (KIT-PLAS- MEBA) and PTDC/FIS-PLA/1420/2014 (PREMiERE). |
Approved |
Most recent IF: 3.302 |
|
Call Number |
PLASMANT @ plasmant @c:irua:149391 |
Serial |
4810 |
Permanent link to this record |
|
|
|
|
Author |
Bal, K.M.; Huygh, S.; Bogaerts, A.; Neyts, E.C. |
|
Title |
Effect of plasma-induced surface charging on catalytic processes: application to CO2activation |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
|
Volume |
27 |
Issue |
2 |
Pages |
024001 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
Understanding the nature and effect of the multitude of plasma–surface interactions in plasma catalysis is a crucial requirement for further process development and improvement. A particularly intriguing and rather unique property of a plasma-catalytic setup is the ability of the plasma to modify the electronic structure, and hence chemical properties, of the catalyst through charging, i.e. the absorption of excess electrons. In this work, we develop a quantum chemical model based on density functional theory to study excess negative surface charges in a heterogeneous catalyst exposed to a plasma. This method is specifically applied to investigate plasma-catalytic CO2 activation on supported M/Al2O3 (M=Ti, Ni, Cu) single atom catalysts. We find that (1) the presence of a negative surface charge dramatically improves the reductive power of the catalyst, strongly promoting the splitting of CO2 to CO and oxygen, and (2) the relative activity of the investigated transition metals is also changed upon charging, suggesting that controlled surface charging is a powerful additional parameter to tune catalyst activity and selectivity. These results strongly point to plasma-induced surface charging of the catalyst as an important factor contributing to the plasma-catalyst synergistic effects frequently reported for plasma catalysis. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000424520100001 |
Publication Date |
2018-02-07 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1361-6595 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.302 |
Times cited |
19 |
Open Access |
OpenAccess |
|
Notes |
KMB is funded as PhD fellow (aspirant) of the FWO-Flanders (Research Foundation—Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government— department EWI. |
Approved |
Most recent IF: 3.302 |
|
Call Number |
PLASMANT @ plasmant @c:irua:149285 |
Serial |
4813 |
Permanent link to this record |
|
|
|
|
Author |
Fukuhara, S.; Bal, K.M.; Neyts, E.C.; Shibuta, Y. |
|
Title |
Accelerated molecular dynamics simulation of large systems with parallel collective variable-driven hyperdynamics |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Computational Materials Science |
Abbreviated Journal |
Comp Mater Sci |
|
Volume |
177 |
Issue |
|
Pages |
109581 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
The limitation in time and length scale is a major issue of molecular dynamics (MD) simulation. Although several methods have been developed to extend the MD time scale, their performance usually deteriorates with increasing system size. Therefore, an acceleration method which is applicable to large systems is required to bridge the gap between the MD simulations and target phenomena. In this study, an accelerated MD method for large system is developed based on the collective variable-driven hyperdynamics (CVHD) method [K.M. Bal and E.C. Neyts, 2015]. The key idea is to run CVHD in parallel with rate control and accelerate multiple possible events simultaneously. Using this novel method, carbon diffusion in bcc-iron bicrystal with grain boundary is examined as an application for practical materials. Carbon atoms reaching at the grain boundary are trapped whereas carbon atoms in the bulk region diffuse randomly, and both dynamic regimes can be simultaneously accelerated with the parallel CVHD technique. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000519576300001 |
Publication Date |
2020-02-08 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0927-0256 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.3 |
Times cited |
|
Open Access |
|
|
Notes |
JSPS, J22727 ; Japan Society for the Promotion of Science; This work was supported by Grant-in-Aid for Scientific Research (B) (No.19H02415) and Grant-in-Aid for JSPS Research Fellow (No.18J22727) from Japan Society for the Promotion of Science (JSPS), Japan. S.F. was supported by JSPS through the Program for Leading Graduate Schools (MERIT). Data availability The data required to reproduce these findings are available from the corresponding authors upon reasonable request. |
Approved |
Most recent IF: 3.3; 2020 IF: 2.292 |
|
Call Number |
PLASMANT @ plasmant @c:irua:166773 |
Serial |
6333 |
Permanent link to this record |
|
|
|
|
Author |
Cordeiro, R.M.; Yusupov, M.; Razzokov, J.; Bogaerts, A. |
|
Title |
Parametrization and Molecular Dynamics Simulations of Nitrogen Oxyanions and Oxyacids for Applications in Atmospheric and Biomolecular Sciences |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Journal Of Physical Chemistry B |
Abbreviated Journal |
J Phys Chem B |
|
Volume |
124 |
Issue |
6 |
Pages |
1082-1089 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
Nitrogen oxyanions and oxyacids are important agents in atmospheric chemistry and medical biology. Although their chemical behavior in solution is relatively well understood, they may behave very differently at the water/air interface of atmospheric aerosols or at the membrane/water interface of cells. Here, we developed a fully classical model for molecular dynamics simulations of NO3−, NO2−, HNO3, and HNO2 in the framework of the GROMOS 53A6 and 54A7 force field versions. The model successfully accounted for the poorly structured solvation shell and ion pairing tendency of NO3−. Accurate pure-liquid properties and hydration free energies were obtained for the oxyacids. Simulations at the water/air interface showed a local enrichment of HNO3 and depletion of NO3−. The effect was discussed in light of earlier spectroscopic data and ab initio calculations, suggesting that HNO3 behaves as a weaker acid at the surface of water. Our model will hopefully allow for efficient and accurate simulations of nitrogen oxyanions and oxyacids in solution and at microheterogeneous interface environments. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000512222500015 |
Publication Date |
2020-02-13 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1520-6106 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.3 |
Times cited |
|
Open Access |
|
|
Notes |
We thank Universidade Federal do ABC for providing the computational resources needed for completion of this work. This study was financed in part by the Coordenaçaõ de Aperfeiçoamento de Pessoal de Nı ́vel Superior – Brasil (CAPES) – Finance Code 001. |
Approved |
Most recent IF: 3.3; 2020 IF: 3.177 |
|
Call Number |
PLASMANT @ plasmant @c:irua:166488 |
Serial |
6340 |
Permanent link to this record |
|
|
|
|
Author |
Hendrickx, M.; Tang, Y.; Hunter, E.C.; Battle, P.D.; Cadogan, Jm.; Hadermann, J. |
|
Title |
CaLa2FeCoSbO9 and ALa2FeNiSbO9 (A = Ca, Sr, Ba): cation-ordered, inhomogeneous, ferrimagnetic perovskites |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Journal Of Solid State Chemistry |
Abbreviated Journal |
J Solid State Chem |
|
Volume |
285 |
Issue |
|
Pages |
121226 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
Polycrystalline samples of CaLa2FeCoSbO9 and ALa2FeNiSbO9 (A=Ca, Sr, Ba) have been prepared in solid-state reactions and studied by a combination of transmission electron microscopy, magnetometry, X-ray diffraction, neutron diffraction and Mössbauer spectroscopy. Diffraction and TEM showed that each shows 1:1 B-site ordering in which Co2+/Ni2+ and Sb5+ tend to occupy two distinct crystallographic sites while Fe3+ is distributed over both sites. While X-ray and neutron diffraction agreed that all four compositions are monophasic with space group P21/n, TEM revealed different levels of compositional inhomogeneity at the subcrystal scale, which, in the case of BaLa2FeNiSbO9, leads to the occurrence of both a P21/n and an I2/m phase. Magnetometry and neutron diffraction show that these perovskites are ferrimagnets with a G-type magnetic structure. Their relatively low magnetisation can be attributed to their inhomogeneity. This work demonstrates the importance of studying the microstructure of complex compositions. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000521107900017 |
Publication Date |
2020-01-30 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0022-4596 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.3 |
Times cited |
|
Open Access |
OpenAccess |
|
Notes |
PDB, ECH, and JH acknowledge support from EPSRC under grant EP/M0189954/1. We would also like to thank E. Suard at ILL and I. Da Silva at ISIS for the experimental assistance they provided. |
Approved |
Most recent IF: 3.3; 2020 IF: 2.299 |
|
Call Number |
EMAT @ emat @c:irua:167137 |
Serial |
6345 |
Permanent link to this record |
|
|
|
|
Author |
Bafekry, A.; Stampfl, C.; Akgenc, B.; Ghergherehchi, M. |
|
Title |
Control of C3N4 and C4N3 carbon nitride nanosheets' electronic and magnetic properties through embedded atoms |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
|
Volume |
22 |
Issue |
4 |
Pages |
2249-2261 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
In the present work, the effect of various embedded atom impurities on tuning electronic and magnetic properties of C3N4 and C4N3 nanosheets have been studied using first-principles calculations. Our calculations show that C3N4 is a semiconductor and it exhibits extraordinary electronic properties such as dilute-magnetic semiconductor (with H, F, Cl, Be, V, Fe and Co); metal (with N, P, Mg and Ca), half-metal (with Li, Na, K, Al, Sc, Cr, Mn, and Cu) and semiconductor (with O, S, B, C, Si, Ti, Ni and Zn) with the band gaps in the range of 0.3-2.0 eV depending on the species of embedded atom. The calculated electronic properties reveal that C4N3 is a half-metal and it retains half-metallic character with embedded H, O, S, F, B, N, P, Be, Mg, Al, Sc, V, Fe, Ni and Zn atoms. The substitution of Cl, C, Cr and Mn atoms create ferromagnetic-metal character in the C4N3 nanosheet, embedded Co and Cu atoms exhibit a dilute-magnetic semiconductor nature, and embedded Ti atoms result in the system becoming a semiconductor. Therefore, our results reveal the fact that the band gap and magnetism can be modified or induced by various atom impurities, thus, offering effective possibilities to tune the electronic and magnetic properties of C3N4 and C4N3 nanosheets. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000510729400042 |
Publication Date |
2019-12-24 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.3 |
Times cited |
18 |
Open Access |
|
|
Notes |
; This work has supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). B. Akgenc acknowledges financial support the Kirklareli University-BAP under the Project No 189 and TUBITAK ULAKBIM, High Performance and Grid Computing Center. ; |
Approved |
Most recent IF: 3.3; 2020 IF: 4.123 |
|
Call Number |
UA @ admin @ c:irua:166553 |
Serial |
6476 |
Permanent link to this record |