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Author (up) Liu, Y.; Cheng, F.; Li, X.J.; Peeters, F.M.; Chang, K.
Title Tuning of the two electron states in quantum rings through the spin-orbit interaction Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 82 Issue 4 Pages 1-7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The effect of the Coulomb interaction on the energy spectrum and anisotropic distribution of two electron states in a quantum ring in the presence of Rashba spin-orbit interaction (RSOI) and Dresselhaus SOI (DSOI) is investigated in the presence of a perpendicular magnetic field. We find that the interplay between the RSOI and DSOI makes the single quantum ring behaves like a laterally coupled quantum dot and the interdot coupling can be tuned by changing the strengths of the SOIs. The interplay can lead to singlet-triplet state mixing and anticrossing behavior when the singlet and triplet states meet with increasing magnetic field. The two electron ground state displays a bar-bell-like spatial anisotropic distribution in a quantum ring at a specific crystallographic direction, i.e., [110] or [11̅ 0], which can be switched by reversing the direction of the perpendicular electric field. The ground state exhibits a singlet-triplet state transition with increasing magnetic field and strengths of RSOI and DSOI. An anisotropic electron distribution is predicted which can be detected through the measurement of its optical properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000280234100006 Publication Date 2010-07-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 14 Open Access
Notes ; This work was supported by NSFC under Grants No. 60525405 and No. 10874175 and the Belgium Science Policy (IAP). ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:84087 Serial 3756
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Author (up) Liu, Y.; Claes, N.; Trepka, B.; Bals, S.; Lang, P.R.
Title A combined 3D and 2D light scattering study on aqueous colloidal model systems with tunable interactions Type A1 Journal article
Year 2016 Publication Soft matter Abbreviated Journal Soft Matter
Volume 12 Issue 12 Pages 8485-8494
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract In this article we report on the synthesis and characterization of a system of colloidal spheres suspended in an aqueous solvent which can be refractive index-matched, thus allowing for investigations of the particle near-wall dynamics by evanescent wave dynamic light scattering at concentrations up to the isotropic to ordered transition and beyond. The particles are synthesized by copolymerization of a fluorinated acrylic ester monomer with a polyethylene-glycol (PEG) oligomer by surfactant free emulsion polymerization. Static and dynamic light scattering experiments in combination with cryo transmission electron microscopy reveal that the particles have a core shell structure with a significant enrichment of the PEG chains on the particles surface. In index-matching DMSO/water suspensions the particles arrange in an ordered phase at volume fraction above 7%, if no additional electrolyte is present. The near-wall dynamics at low volume fraction are quantitatively described by the combination of electrostatic repulsion and hydrodynamic interaction between the particles and the wall. At volume fractions close to the isotropic to ordered transition, the near-wall dynamics are more complex and qualitatively reminiscent of the behaviour which was observed in hard sphere suspensions at high concentrations.
Address Forschugszentrum Julich, Institute of Complex Systems ICS-3, Julich, Germany. p.lang@fz-juelich.de and Heinrich-Heine Universitat, Dusseldorf, Germany
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000386247100004 Publication Date 2016-08-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1744-683X ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.889 Times cited 2 Open Access OpenAccess
Notes The authors thank Prof. J. K. G. Dhont and the ICS-3 group for useful discussions and support. YL would like to thank the Marie Sklodowska Curie Initial Training Network SOMATAI under the EU Grant Agreement No. 316866 for financial support. BT contributed to this work during an internship at Forschungszentrum Ju¨lich supported by the International Helmholtz Research School of Biophysics and Soft Matter (IHRS BioSoft), which is gratefully acknowledged. SB and NC acknowledge financial support from the European Research Council (ERC Starting Grant No. 335078-COLOURATOMS).; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 3.889
Call Number EMAT @ emat @ c:irua:136166 Serial 4292
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Author (up) Liu, Y.; Ngo, H.H.; Guo, W.; Peng, L.; Chen, X.; Wang, D.; Pan, Y.; Ni, B.-J.
Title Modeling electron competition among nitrogen oxides reduction and N2Oaccumulation in hydrogenotrophic denitrification Type A1 Journal article
Year 2018 Publication Biotechnology and bioengineering Abbreviated Journal
Volume 115 Issue 4 Pages 978-988
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Hydrogenotrophic denitrification is a novel and sustainable process for nitrogen removal, which utilizes hydrogen as electron donor, and carbon dioxide as carbon source. Recent studies have shown that nitrous oxide (N2O), a highly undesirable intermediate and potent greenhouse gas, can accumulate during this process. In this work, a new mathematical model is developed to describe nitrogen oxides dynamics, especially N2O, during hydrogenotrophic denitrification for the first time. The model describes electron competition among the four steps of hydrogenotrophic denitrification through decoupling hydrogen oxidation and nitrogen reduction processes using electron carriers, in contrast to the existing models that couple these two processes and also do not consider N2O accumulation. The developed model satisfactorily describes experimental data on nitrogen oxides dynamics obtained from two independent hydrogenotrophic denitrifying cultures under various hydrogen and nitrogen oxides supplying conditions, suggesting the validity and applicability of the model. The results indicated that N2O accumulation would not be intensified under hydrogen limiting conditions, due to the higher electron competition capacity of N2O reduction in comparison to nitrate and nitrite reduction during hydrogenotrophic denitrification. The model is expected to enhance our understanding of the process during hydrogenotrophic denitrification and the ability to predict N2O accumulation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000426493300016 Publication Date 2017-12-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0006-3592 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:149850 Serial 8261
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Author (up) Liu, Y.; Ngo, H.H.; Guo, W.; Zhou, J.; Peng, L.; Wang, D.; Chen, X.; Sun, J.; Ni, B.-J.
Title Optimizing sulfur-driven mixotrophic denitrification process : system performance and nitrous oxide emission Type A1 Journal article
Year 2017 Publication Chemical engineering science Abbreviated Journal
Volume 172 Issue Pages 414-422
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Nitrate contamination of groundwater has been recognized as a significant environmental problem world widely. Sulfur-driven mixotrophic denitrification has been demonstrated as a promising groundwater treatment process, which though plays an important role in nitrous oxide (N2O) emissions, significantly contributing to the overall carbon footprint of the system. However, the current process optimizations only focus on nitrate removal and excess sulfate control, with the N2O emission being ignored. In this work, an integrated mathematical model was proposed to evaluate the N2O emission as well as the excess sulfate production and carbon source utilization in sulfur-driven mixotrophic denitrification process. In this model, autotrophic and heterotrophic denitrifiers use their corresponding electron donors (sulfur and organic matter, respectively) to reduce nitrate to nitrogen gas, with each modeled as three-step denitrification (NO3 to N-2 via NO2 and N2O) driven by sulfur or organic matter to describe all potential N2O accumulation steps. The developed model, employing model parameters previously reported in literature, was successfully validated using N2O and sulfate data from two mixotrophic denitrification systems with different initial conditions. Modeling results revealed substantial N2O accumulation due to the relatively low autotrophic N2O reduction activity as compared to heterotrophic N2O reduction activity, explaining the observation that higher carbon source addition resulted in lower N2O accumulation in sulfur-driven mixotrophic denitrifying system. Based on the validated model, optimizations of the overall system performance were carried out. Application of the model to simulate long-term operations of sulfur-driven mixotrophic denitrification process indicates that longer sludge retention time reduces N2O emission due to better retention of active biomass. High-level total nitrogen removal with significant N2O emission mitigation, appropriate excess sulfate control and maximized COD utilization can be achieved simultaneously through controlling the influent nitrate and COD concentrations. (C) 2017 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000410833900034 Publication Date 2017-07-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0009-2509 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:146634 Serial 8344
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Author (up) Liu, Y.; Norén, L.; Withers, R.L.; Hadermann, J.; Van Tendeloo, G.; Garcia-Garcia, J.
Title The metastable Ni7\pm xS6 and mixed Ni6\pm x(S1-ySey)5 phases Type A1 Journal article
Year 2003 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 170 Issue Pages 351-360
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000181875200019 Publication Date 2003-06-02
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 2.299 Times cited 5 Open Access
Notes Approved Most recent IF: 2.299; 2003 IF: 1.413
Call Number UA @ lucian @ c:irua:42054 Serial 2015
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Author (up) Liu, Y.H.; Chen, Z.Y.; Huang, F.; Yu, M.Y.; Wang, L.; Bogaerts, A.
Title Simulation of disk- and band-like voids in dusty plasma systems Type A1 Journal article
Year 2006 Publication Physics of plasmas Abbreviated Journal Phys Plasmas
Volume 13 Issue Pages 052110,1-6
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Woodbury, N.Y. Editor
Language Wos 000237943000011 Publication Date 2006-05-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1070-664X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.115 Times cited 20 Open Access
Notes Approved Most recent IF: 2.115; 2006 IF: 2.258
Call Number UA @ lucian @ c:irua:57858 Serial 3011
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Author (up) Liu, Y.H.; Chen, Z.Y.; Yu, M.Y.; Bogaerts, A.
Title Multiple void formation in plasmas containing multispecies charged grains Type A1 Journal article
Year 2006 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E
Volume 74 Issue Pages 056401,1-6
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000242408800037 Publication Date 2006-11-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.366 Times cited 21 Open Access
Notes Approved Most recent IF: 2.366; 2006 IF: 2.438
Call Number UA @ lucian @ c:irua:60424 Serial 2233
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Author (up) Liu, Y.H.; Chen, Z.Y.; Yu, M.Y.; Wang, L.; Bogaerts, A.
Title Structure of multispecies charged particles in a quadratic trap Type A1 Journal article
Year 2006 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E
Volume 73 Issue Pages 047402,1-4
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000237146800099 Publication Date 2006-04-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.366 Times cited 25 Open Access
Notes Approved Most recent IF: 2.366; 2006 IF: 2.438
Call Number UA @ lucian @ c:irua:57859 Serial 3312
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Author (up) Liu, Y.H.; Neyts, E.; Bogaerts, A.
Title Monte Carlo method for simulations of adsorbed atom diffusion on a surface Type A1 Journal article
Year 2006 Publication Diamond and related materials Abbreviated Journal Diam Relat Mater
Volume 15 Issue 10 Pages 1629-1635
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000241224000021 Publication Date 2006-03-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-9635; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.561 Times cited 5 Open Access
Notes Approved Most recent IF: 2.561; 2006 IF: 1.935
Call Number UA @ lucian @ c:irua:59633 Serial 2196
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Author (up) Liz-Marzan, L.; Bals, S.
Title Advanced particle characterization techniques Type Editorial
Year 2016 Publication Particle and particle systems characterization Abbreviated Journal Part Part Syst Char
Volume 33 Issue 33 Pages 350-351
Keywords Editorial; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Wiley-v c h verlag gmbh Place of Publication Weinheim Editor
Language Wos 000379970000001 Publication Date 2016-07-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0934-0866 ISBN Additional Links UA library record; WoS full record
Impact Factor 4.474 Times cited Open Access Not_Open_Access
Notes ; ; Approved Most recent IF: 4.474
Call Number UA @ lucian @ c:irua:134957 Serial 4136
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Author (up) Lizin, S.; Leroy, J.; Delvenne, C.; Dijk, M.; De Schepper, E.; Van Passel, S.
Title A patent landscape analysis for organic photovoltaic solar cells : identifying the technology's development phase Type A1 Journal article
Year 2013 Publication Renewable Energy Abbreviated Journal Renew Energ
Volume 57 Issue Pages 5-11
Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Abstract Organic photovoltaics (OPV) have developed into a vast research area. Progress in various directions has made it difficult to monitor the technology's precise development state. We offer a patent landscape analysis over all OPV devices, their substrates and encapsulation materials to provide an overview of patenting activity from a historical, organizational, geographical and technological point of view. Such an exercise is instrumental for private companies and research institutes aiming at both internal or external technology creation. We discuss our findings in the context of the Industrial Life Cycle model and find OPV still residing in the fluid technology development phase. Technology development is still following an exponential growth path, with the majority of patents coming from the Asian continent and in general private companies. For devices, the main technological focus can be traced back to the “H01L-031” international patent classification (IPC) main group. For the queried substrates, the most attention has gone to glass, but paper and textile have drawn significant interest too. Finally, encapsulation is found to be a less mature research field given the smaller number of patent families. The latter shows that the technology has not matured to the level where processing is carried out on a commercial scale. (C) 2013 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000319025000002 Publication Date 2013-02-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0960-1481 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.357 Times cited 18 Open Access
Notes ; The authors are much obliged to INTERREG for their financial support of the ORGANEXT project (www.organext.org), without which it would have been impossible to conduct this research. ; Approved Most recent IF: 4.357; 2013 IF: 3.361
Call Number UA @ admin @ c:irua:127551 Serial 6143
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Author (up) 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
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Author (up) Lizin, S.; Van Passel, S.; De Schepper, E.; Maes, W.; Lutsen, L.; Manca, J.; Vanderzande, D.
Title Life cycle analyses of organic photovoltaics : a review Type A1 Journal article
Year 2013 Publication Energy & Environmental Science Abbreviated Journal Energ Environ Sci
Volume 6 Issue 11 Pages 3136-3149
Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Abstract This paper reviews the available life cycle analysis (LCA) literature on organic photovoltaics (OPVs). This branch of OPV research has focused on the environmental impact of single-junction bulk heterojunction polymer solar cells using a P3HT/PC60BM active layer blend processed on semi-industrial pilot lines in ambient surroundings. The environmental impact was found to be strongly decreasing through continuous innovation of the manufacturing procedures. The current top performing cell regarding environmental performance has a cumulative energy demand of 37.58 MJp m(-2) and an energy payback time in the order of months for cells having 2% efficiency, thereby rendering OPV cells one of the best performing PV technologies from an environmental point of view. Nevertheless, we find that LCA literature is lagging behind on the main body of OPV literature due to the lack of readily available input data. Still, LCA research has led us to believe that in the quest for higher efficiencies, environmental sustainability is being disregarded on the materials' side. Hence, we advise the scientific community to take the progress made on environmental sustainability aspects of OPV preparations into account not only because standard procedures put a bigger strain on the environment, but also because these methods may not be transferrable to an industrial process. Consequently, we recommend policy makers to subsidize research that bridges the gaps between fundamental materials research, stability, and scalability given that these constraints have to be fulfilled simultaneously if OPVs are ever to be successful on the market. Additionally, environmental sustainability will have to keep on being monitored to steer future developments in the right direction.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000325946400002 Publication Date 2013-10-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1754-5692; 1754-5706 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 29.518 Times cited 124 Open Access
Notes ; The authors are much obliged to both the INTERREG ORGAN-EXT project and FP7 MOLESOL project for their financial support, without which it would have been impossible to conduct this research. ; Approved Most recent IF: 29.518; 2013 IF: 15.490
Call Number UA @ admin @ c:irua:127548 Serial 6223
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Author (up) Lizin, S.; Van Passel, S.; De Schepper, E.; Vranken, L.
Title The future of organic photovoltaic solar cells as a direct power source for consumer electronics Type A1 Journal article
Year 2012 Publication Solar Energy Materials And Solar Cells Abbreviated Journal Sol Energ Mat Sol C
Volume 103 Issue Pages 1-10
Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Abstract As the search for marketable photovoltaic solar cells continues, organic photovoltaic (OPV) solar cells have been identified as a technology with many attractive features for commercialization. Most photovoltaic technologies on the market today were improved in the consumer electronics market segment. A similar evolution has been envisioned for OPV. Hence this paper investigates consumer preferences for solar cells directly powering consumer electronics. Choice experiments were designed and responses were collected using a random sample of 300 individuals from the Flemish region (northern part of Belgium). Results allow for computation of attribute importance, willingness to pay (WTP), and simulation of theoretical market share. These measures point towards OPV being able to reach considerable market share in the long run, bearing in mind that efforts are first needed in elevating OPV's efficiency and lifetime as they most determine consumers' preferences. Price is found to be the least important product characteristic for OPV solar cells to be incorporated in consumer electronics devices. We therefore warn against generalizing attributes' importance across the boundaries of market segments. (C) 2012 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000306044300001 Publication Date 2012-05-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0927-0248 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.784 Times cited 25 Open Access
Notes ; The authors would kindly want to express their gratitude towards every survey respondent and participant for their preliminary work. Also the authors are much obliged to INTERREG and the ORGANEXT project for their financial support, without which it would have been impossible to conduct this research. Last but not least, we would like to thank the reviewers for their insightful comments which allowed for fine tuning our work. ; Approved Most recent IF: 4.784; 2012 IF: 4.630
Call Number UA @ admin @ c:irua:127556 Serial 6267
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Author (up) Lizin, S.; Van Passel, S.; Schreurs, E.
Title Farmers' perceived cost of land use restrictions : a simulated purchasing decision using discrete choice experiments Type A1 Journal article
Year 2015 Publication Land Use Policy Abbreviated Journal Land Use Policy
Volume 46 Issue Pages 115-124
Keywords A1 Journal article; Economics; Engineering Management (ENM)
Abstract This paper reports on the findings from discrete choice experiments designed to estimate farmers perceived costs of land use restrictions, i.e. crop restrictions, additional fertilizing restrictions, and usage restrictions, as opposed to having no such restrictions. To this end, hypothetical land purchasing decisions were simulated based on the information about productivity, lot size, distance to other land, driving time to home, land use restrictions, and price. Farmers from the Campine area (Belgium) were invited to participate in the survey as the agricultural land in this region still faces the effects of historical heavy metal contamination resulting in crop restrictions. For identical pieces of land, we estimate the perceived cost, calculated as a change in the consumer surplus due to having a land use restriction, to be about 46,000 /ha for the crop restriction, 50,000 /ha for the usage restriction, and 70,000 /ha for the fertilizing restrictions. Assuming this cost to represent a perpetuity, then with a discount rate of 5% the yearly fixed costs respectively equal about 2300 /ha, 2500 /ha, and 3500 /ha.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000356110500010 Publication Date 2015-03-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0264-8377 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.089 Times cited 12 Open Access
Notes ; The authors would like to thank Boerenbond for their help as well as the farmers for their time in responding to the questionnaire. Additionally, Sebastien Lizin thanks the Research Foundation Flanders (FWO) for funding his postdoctoral fellowship, allowing him to revise the manuscript. The authors would also like to thank the anonymous reviewers for helping us to improve the quality of our work. ; Approved Most recent IF: 3.089; 2015 IF: 2.631
Call Number UA @ admin @ c:irua:129877 Serial 6203
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Author (up) Lizin, S.; Van Passel, S.; Vranken, L.
Title Heterogeneity in the solar-powered consumer electronics market : a discrete choice experiments study Type A1 Journal article
Year 2016 Publication Solar Energy Materials And Solar Cells Abbreviated Journal Sol Energ Mat Sol C
Volume 156 Issue Pages 140-146
Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Abstract Solar-powered consumer electronics are a likely starting point for organic photovoltaic (OPV) market development. Therefore, a generic discrete choice experiments study can determine how Flemish consumers value solar-cell characteristics for solar-poweied consumer electronics. Such characteristics include efficiency, lifetime, aesthetics, integratability, and price. We contribute to the literature by investigating preference heterogeneity in a solar-power niche market with an experimental design with a fixed reference alternative. The error components random parameter logit (ECRPL) with interactions provides a better fit than the latent class (LC) model for our choice data. The main effects had the expected signs. Consequently, aesthetics and integratability are OPV's assets. Nevertheless, heterogeneity puts the results that are valid for the average consumer into perspective. Based on our findings, OPV commercialization efforts should target the experienced, impatient user who highly values design and functionality. (C) 2016 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000383304100015 Publication Date 2016-06-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0927-0248 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.784 Times cited 2 Open Access
Notes ; Sebastien Lizin thanks the Research Foundation Flanders (FWO) for funding his postdoctoral mandate with Grant number 12G5415N, without which it would have been impossible to revise this work. ; Approved Most recent IF: 4.784
Call Number UA @ admin @ c:irua:137107 Serial 6207
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Author (up) Lobanov, M.V.; Abakumov, A.M.; Sidorova, A.V.; Rozova, M.G.; D'yachenko, O.G.; Antipov, E.V.; Hadermann, J.; Van Tendeloo, G.
Title Synthesis and investigation of novel Mn-based oxyfluoride Sr2Mn2O5-xF1+x Type A1 Journal article
Year 2002 Publication Solid state sciences Abbreviated Journal Solid State Sci
Volume 4 Issue Pages 19-22
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000174141100004 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1293-2558; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.811 Times cited 21 Open Access
Notes Approved Most recent IF: 1.811; 2002 IF: 1.667
Call Number UA @ lucian @ c:irua:40346 Serial 3432
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Author (up) Lobanov, M.V.; Balagurov, A.M.; Pomjakushin, V.J.; Fischer, P.; Gutmann, M.; Abakumov, A.M.; D'yachenko, O.G.; Antipov, E.V.; Lebedev, O.I.; Van Tendeloo, G.
Title Structural and magnetic properties of the colossal magnetoresistance perovskite La0.85Ca0.15MnO3 Type A1 Journal article
Year 2000 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 61 Issue 13 Pages 8941-8949
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000086597400059 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 47 Open Access
Notes Approved Most recent IF: 3.836; 2000 IF: NA
Call Number UA @ lucian @ c:irua:54735 Serial 3197
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Author (up) Lobato Hoyos, I.P.; van Dyck, D.
Title An accurate parameterization for scattering factors, electron densities and electrostatic potentials for neutral atoms that obey all physical constraints Type A1 Journal article
Year 2014 Publication Acta crystallographica: section A: foundations of crystallography Abbreviated Journal Acta Crystallogr A
Volume 70 Issue 6 Pages 636-649
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract An efficient procedure and computer program are outlined for fitting numerical X-ray and electron scattering factors with the correct inclusion of all physical constraints. The numerical electron scattering factors have been parameterized using five analytic non-relativistic hydrogen electron scattering factors as basis functions for 103 neutral atoms of the periodic table. The inclusion of the correct physical constraints in the electron scattering factor and its derived quantities allows the use of the new parameterization in different fields. In terms of quality of the fit, the proposed parameterization of the electron scattering factor is one order of magnitude better than the previous analytic fittings.
Address
Corporate Author Thesis
Publisher Place of Publication Copenhagen Editor
Language Wos 000344599300012 Publication Date 2014-10-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2053-2733; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.725 Times cited 19 Open Access
Notes Approved Most recent IF: 5.725; 2014 IF: NA
Call Number UA @ lucian @ c:irua:122103 Serial 93
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Author (up) Lobato, I.
Title Accurate modeling of high angle electron scattering Type Doctoral thesis
Year 2014 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:120593 Serial 50
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Author (up) Lobato, I.; De Backer, A.; Van Aert, S.
Title Real-time simulations of ADF STEM probe position-integrated scattering cross-sections for single element fcc crystals in zone axis orientation using a densely connected neural network Type A1 Journal article
Year 2023 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 251 Issue Pages 113769
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Quantification of annular dark field (ADF) scanning transmission electron microscopy (STEM) images in terms

of composition or thickness often relies on probe-position integrated scattering cross sections (PPISCS). In

order to compare experimental PPISCS with theoretically predicted ones, expensive simulations are needed for

a given specimen, zone axis orientation, and a variety of microscope settings. The computation time of such

simulations can be in the order of hours using a single GPU card. ADF STEM simulations can be efficiently

parallelized using multiple GPUs, as the calculation of each pixel is independent of other pixels. However, most

research groups do not have the necessary hardware, and, in the best-case scenario, the simulation time will

only be reduced proportionally to the number of GPUs used. In this manuscript, we use a learning approach and

present a densely connected neural network that is able to perform real-time ADF STEM PPISCS predictions as

a function of atomic column thickness for most common face-centered cubic (fcc) crystals (i.e., Al, Cu, Pd, Ag,

Pt, Au and Pb) along [100] and [111] zone axis orientations, root-mean-square displacements, and microscope

parameters. The proposed architecture is parameter efficient and yields accurate predictions for the PPISCS

values for a wide range of input parameters that are commonly used for aberration-corrected transmission

electron microscopes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001011617200001 Publication Date 2023-06-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.2 Times cited Open Access OpenAccess
Notes This work was supported by the European Research Council (Grant 770887 PICOMETRICS to S. Van Aert). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G034621N and G0A7723N) and a postdoctoral grant to A. De Backer. S. Van Aert acknowledges funding from the University of Antwerp Research fund (BOF), Belgium. Approved Most recent IF: 2.2; 2023 IF: 2.843
Call Number EMAT @ emat @c:irua:197275 Serial 8812
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Author (up) Lobato, I.; Friedrich, T.; Van Aert, S.
Title Deep convolutional neural networks to restore single-shot electron microscopy images Type A1 Journal article
Year 2024 Publication N P J Computational Materials Abbreviated Journal npj Comput Mater
Volume 10 Issue 1 Pages 10
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Advanced electron microscopy techniques, including scanning electron microscopes (SEM), scanning transmission electron microscopes (STEM), and transmission electron microscopes (TEM), have revolutionized imaging capabilities. However, achieving high-quality experimental images remains a challenge due to various distortions stemming from the instrumentation and external factors. These distortions, introduced at different stages of imaging, hinder the extraction of reliable quantitative insights. In this paper, we will discuss the main sources of distortion in TEM and S(T)EM images, develop models to describe them, and propose a method to correct these distortions using a convolutional neural network. We validate the effectiveness of our method on a range of simulated and experimental images, demonstrating its ability to significantly enhance the signal-to-noise ratio. This improvement leads to a more reliable extraction of quantitative structural information from the images. In summary, our findings offer a robust framework to enhance the quality of electron microscopy images, which in turn supports progress in structural analysis and quantification in materials science and biology.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001138183000001 Publication Date 2024-01-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2057-3960 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access OpenAccess
Notes This work was supported by the European Research Council (Grant 770887 PICOMETRICS to S.V.A.). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G034621N, G0A7723N and EOS 40007495). S.V.A. acknowledges funding from the University of Antwerp Research Fund (BOF). The authors thank Lukas Grünewald for data acquisition and support for Fig. 7. Approved Most recent IF: NA
Call Number EMAT @ emat @c:irua:202714 Serial 8994
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Author (up) Lobato, I.; Partoens, B.
Title Multiple Dirac particles in AA-stacked graphite and multilayers of graphene Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 83 Issue 16 Pages 165429-165429,9
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract Using the tight-binding formalism we show that in the recently experimentally realized AA-stacked graphite in essence two types of massless relativistic Dirac particles are present with a different effective speed of light. We also investigate how the electronic structure evolves from a single graphene sheet into AA-stacked graphite. It is shown that in contrast to AB-stacked graphene layers, the spectrum of AA-stacked graphene layers can be considered as a superposition of single-layer spectra and only particles with a linear spectrum at the Fermi energy around the K point are present. From the evolution of the band overlap we show that 6 multilayers of AA-stacked graphene already behave as AA-stacked graphite. The evolution of the effective speeds of light of the Dirac particles to their bulk values shows exactly the same behavior. The tight-binding parameters we use to describe AA-stacked graphite and multilayers of graphene are obtained by ab initio calculations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000290113900005 Publication Date 2011-04-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 68 Open Access
Notes ; ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:89717 Serial 2225
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Author (up) Lobato, I.; Van Aert, S.; Verbeeck, J.
Title Progress and new advances in simulating electron microscopy datasets using MULTEM Type A1 Journal article
Year 2016 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 168 Issue 168 Pages 17-27
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A new version of the open source program MULTEM is presented here. It includes a graphical user interface, tapering truncation of the atomic potential, CPU multithreading functionality, single/double precision calculations, scanning transmission electron microscopy (STEM) simulations using experimental detector sensitivities, imaging STEM (ISTEM) simulations, energy filtered transmission electron microscopy (EFTEM) simulations, STEM electron energy loss spectroscopy (EELS) simulations along with other improvements in the algorithms. We also present a mixed channeling approach for the calculation of inelastic excitations, which allows one to considerably speed up time consuming EFTEM/STEM-EELS calculations.
Address EMAT, University of Antwerp, Department of Physics, Groenenborgerlaan 171, B-2020 Antwerp, Belgium
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000380754100003 Publication Date 2016-06-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited 43 Open Access
Notes The authors acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative. Reference No. 312483- ESTEEM2. The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0374.13N, G.0369.15N and G.0368.15N).; esteem2jra3; esteem2na3; esteem2_jra2 Approved Most recent IF: 2.843
Call Number c:irua:134088 c:irua:134088UA @ admin @ c:irua:134088 Serial 4093
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Author (up) Lobato, I.; van Dyck, D.
Title Improved multislice calculations for including higher-order Laue zones effects Type A1 Journal article
Year 2012 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 119 Issue Pages 63-71
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract A new method for including higher-order Laue zones (HOLZs) effects in an efficient way in electron scattering simulations has been developed and tested by detail calculations. The calculated results by the conventional multislice (CMS) method and the improved conventional multislice (ICMS) method using a large dynamical aperture to avoid numerical errors are compared with accurate results. We have found that the zero-order Laue zones (ZOLZs) reflection cannot be properly described only using the projected potential in the whole unit cell; in general, we need to subslice the electrostatic potential inside the unit cell. It is shown that the ICMS method has higher accuracy than the CMS method for the calculation of the ZOLZ, HOLZ and Pseudo-HOLZ reflections. Hence, ICMS method allows to use a larger slice thickness than the CMS method and reduces the calculation time. (C) 2012 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000308079200011 Publication Date 2012-01-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited 6 Open Access
Notes Approved Most recent IF: 2.843; 2012 IF: 2.470
Call Number UA @ lucian @ c:irua:101902 Serial 1567
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Author (up) Lobato, I.; Van Dyck, D.
Title MULTEM : a new multislice program to perform accurate and fast electron diffraction and imaging simulations using graphics processing units with CUDA Type A1 Journal article
Year 2015 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 156 Issue 156 Pages 9-17
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract The main features and the GPU implementation of the MULTEM program are presented and described. This new program performs accurate and fast multislice simulations by including higher order expansion of the multislice solution of the high energy Schrodinger equation, the correct subslicing of the three-dimensional potential and top-bottom surfaces. The program implements different kinds of simulation for CTEM, STEM, ED, PED, CBED, ADF-TEM and ABF-HC with proper treatment of the spatial and temporal incoherences. The multislice approach described here treats the specimen as amorphous material which allows a straightforward implementation of the frozen phonon approximation. The generalized transmission function for each slice is calculated when is needed and then discarded. This allows us to perform large simulations that can include millions of atoms and keep the computer memory requirements to a reasonable level. (C) 2015 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000361001800003 Publication Date 2015-04-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited 32 Open Access
Notes Approved Most recent IF: 2.843; 2015 IF: 2.436
Call Number UA @ lucian @ c:irua:127848 Serial 4209
Permanent link to this record
 

 
Author (up) Lobovikov-Katz, A.; Moropoulou, A.; Konstanti, A.; Ortiz Calderon, P.; Van Grieken, R.; Worth, S.; Cassar, J.A.; De Angelis, R.; Biscontin, G.; Izzo, F.C.
Title Tangible versus intangible in e-learning on cultural heritage : from online learning to on-site study of historic sites Type P1 Proceeding
Year 2014 Publication Lecture notes in computer science T2 – 5th EuroMed International Conference, NOV 03-08, 2014, Amathus, CYPRUS Abbreviated Journal
Volume 8740 Issue Pages 819-828
Keywords P1 Proceeding; Documentation and information; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The revolutionary development in digital theory and technology calls for non-trivial decisions in bridging between the virtual and real worlds. The field of conservation of cultural heritage thus provides various challenges, especially with regards to learning, study and investigation of tangible heritage through applications of intangible ICT technologies. This paper examines the interaction between e-learning, and the actual on-site learning and study of historic buildings and sites, with an emphasis on their visual characteristics. In this context, the paper presents some aspects of application of a methodology which allows basic documentation, monitoring and primary analysis of data on cultural (built) heritage sites by general public through educational process enabled by an e-learning platform.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000354774500084 Publication Date 2014-11-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-3-319-13694-3; 978-3-319-13695-0; 978-3-319-13694-3; 0302-9743; 1611-3349 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:126395 Serial 8641
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Author (up) Locardi, F.; Samoli, M.; Martinelli, A.; Erdem, O.; Vale Magalhaes, D.; Bals, S.; Hens, Z.
Title Cyan emission in two-dimensional colloidal Cs2CdCl4:SB3+ Ruddlesden-Popper phase nanoplatelets Type A1 Journal article
Year 2021 Publication Acs Nano Abbreviated Journal Acs Nano
Volume 15 Issue 11 Pages 17729-17737
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Metal halide perovskites are one of the most investigated materials in optoelectronics, with their lead-based counterparts being renowned for their enhanced optoelectronic performance. The 3D CsPbX3 structure has set the standard with many studies currently attempting to substitute lead with other metals while retaining the properties of this material. This effort has led to the fabrication of metal halides with lower dimensionality, wherein particular 2D layered perovskite structures have captured attention as inspiration for the next generation of colloidal semiconductors. Here we report the synthesis of the Ruddlesden-Popper Cs2CdCl4:Sb3+ phase as colloidal nanoplatelets (NPs) using a facile hot injection approach under atmospheric conditions. Through strict adjustment of the synthesis parameters with emphasis on the ligand ratio, we obtained NPs with a relatively uniform size and good morphological control. The particles were characterized through transmission electron microscopy, synchrotron X-ray diffraction, and pair distribution function analysis. The spectroscopic characterization revealed most strikingly an intense cyan emission under UV excitation with a measured PLQY of similar to 20%. The emission was attributed to the Sb3+-doping within the structure.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000747115200053 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.942 Times cited 34 Open Access OpenAccess
Notes The authors acknowledge the European Synchrotron Radiation Facility for provision of synchrotron radiation facilities and they would like to thank Andrew Fitch for assistance in using beamline ID22 (proposal HC-4098). Z.H. and S.B acknowledge funding from the Research Foundation − Flanders (FWO-Vlaanderen under the SBO − PROCEED project (No: S0002019N). Z.H. acknowledges Ghent University for funding (BOF-GOA 01G01019). S.B. is grateful to the European Research Council (ERC Consolidator Grant 815128, REALNANO). F.L. thanks Emanuela Sartori and Stefano Toso for the fruitful discussions. M.S. would like to thank Olivier Janssens for collecting XRPD data and Gabriele Pippia for helpful insights and discussions. Approved Most recent IF: 13.942
Call Number UA @ admin @ c:irua:186465 Serial 7059
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Author (up) Loenders, B.; Engelmann, Y.; Bogaerts, A.
Title Plasma-Catalytic Partial Oxidation of Methane on Pt(111): A Microkinetic Study on the Role of Different Plasma Species Type A1 Journal article
Year 2021 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C
Volume 125 Issue 5 Pages 2966-2983
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Movement Antwerp (MOVANT)
Abstract We use microkinetic modeling to examine the potential of plasma-catalytic partial oxidation (POX) of CH4 as a promising new approach to produce oxygenates. We study how different plasma species affect POX of CH4 on the Pt(111) surface, and we discuss the associated kinetic and mechanistic changes. We discuss the effect of vibrationally excited CH4 and O2, as well as plasma-generated radicals and stable intermediates. Our results show that vibrational excitation enhances the turnover frequency (TOF) of catalytic CH4 dissociation and has good potential for improving the selectivities toward CH3OH, HCOOH, and C2 hydrocarbons. Nevertheless, when also considering plasma-generated radicals, we find that these species mainly govern the surface chemistry. Additionally, we find that plasma-generated radicals and stable intermediates enhance the TOFs of COx and oxygenates, increase the selectivity toward oxygenates, and make the formation of HCOOH more significant on Pt(111). We also briefly illustrate the potential impact of Eley−Rideal reactions that involve plasma-generated radicals. Finally, we reveal how various radicals affect the catalyst surface chemistry and we link this to the formation of different products. This allows us to make suggestions on how the plasma composition should be altered to improve the formation of desired products.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000619760700017 Publication Date 2021-02-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited Open Access OpenAccess
Notes Universiteit Antwerpen; Fonds Wetenschappelijk Onderzoek, S001619N ; H2020 European Research Council, 810182 ; We thank Tom Butterworth for the interesting discussions regarding the calculation of the vibrational populations of methane and for taking the time to share his thoughts and experiences on the matter. This research is supported by the FWO-SBO project PLASMACATDesign (grant number S001619N). We also acknowledge financial support from the TOP-BOF project of the University of Antwerp and from the European Research Council (ERC) under the European Union’s Horizon 2020 Research and Innovation Program (grant agreement no. 810182SCOPE ERC Synergy project). The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (Department EWI), and the University of Antwerp. Approved Most recent IF: 4.536
Call Number PLASMANT @ plasmant @c:irua:175873 Serial 6672
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Author (up) Loenders, B.; Michiels, R.; Bogaerts, A.
Title Is a catalyst always beneficial in plasma catalysis? Insights from the many physical and chemical interactions Type A1 Journal Article
Year 2023 Publication Journal of Energy Chemistry Abbreviated Journal Journal of Energy Chemistry
Volume 85 Issue Pages 501-533
Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract Plasma-catalytic dry reforming of CH4 (DRM) is promising to convert the greenhouse gasses CH4 and CO2 into value-added chemicals, thus simultaneously providing an alternative to fossil resources as feedstock for the chemical industry. However, while many experiments have been dedicated to plasma-catalytic DRM, there is no consensus yet in literature on the optimal choice of catalyst for targeted products, because the underlying mechanisms are far from understood. Indeed, plasma catalysis is very complex, as it encompasses various chemical and physical interactions between plasma and catalyst, which depend on many parameters. This complexity hampers the comparison of experimental results from different studies, which, in our opinion, is an important bottleneck in the further development of this promising research field. Hence, in this perspective paper, we describe the important physical and chemical effects that should be accounted for when designing plasma-catalytic experiments in general, highlighting the need for standardized experimental setups, as well as careful documentation of packing properties and reaction conditions, to further advance this research field. On the other hand, many parameters also create many windows of opportunity for further optimizing plasma-catalytic systems. Finally, various experiments also reveal the lack of improvement in plasma catalysis compared to plasma-only, specifically for DRM, but the underlying mechanisms are unclear. Therefore, we present our newly developed coupled plasma-surface kinetics model for DRM, to provide more insight in the underlying reasons. Our model illustrates that transition metal catalysts can adversely affect plasmacatalytic DRM, if radicals dominate the plasma-catalyst interactions. Thus, we demonstrate that a good understanding of the plasma-catalyst interactions is crucial to avoiding conditions at which these interactions negatively affect the results, and we provide some recommendations for improvement. For instance, we believe that plasma-catalytic DRM may benefit more from higher reaction temperatures, at which vibrational excitation can enhance the surface reactions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2023-06-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2095-4956 ISBN Additional Links UA library record
Impact Factor 13.1 Times cited Open Access Not_Open_Access
Notes This research was supported by the FWO-SBO project PlasMa- CatDESIGN (FWO grant ID S001619N), the FWO fellowship of R. Michiels (FWO grant ID 1114921N), and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project). The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government. Approved Most recent IF: 13.1; 2023 IF: 2.594
Call Number PLASMANT @ plasmant @c:irua:198159 Serial 8806
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