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Author Chen, B.; Gauquelin, N.; Strkalj, N.; Huang, S.; Halisdemir, U.; Nguyen, M.D.; Jannis, D.; Sarott, M.F.; Eltes, F.; Abel, S.; Spreitzer, M.; Fiebig, M.; Trassin, M.; Fompeyrine, J.; Verbeeck, J.; Huijben, M.; Rijnders, G.; Koster, G.
  Title Signatures of enhanced out-of-plane polarization in asymmetric BaTiO3 superlattices integrated on silicon Type (up) A1 Journal article
  Year 2022 Publication Nature communications Abbreviated Journal Nat Commun
  Volume 13 Issue 1 Pages 265
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract In order to bring the diverse functionalities of transition metal oxides into modern electronics, it is imperative to integrate oxide films with controllable properties onto the silicon platform. Here, we present asymmetric LaMnO<sub>3</sub>/BaTiO<sub>3</sub>/SrTiO<sub>3</sub>superlattices fabricated on silicon with layer thickness control at the unit-cell level. By harnessing the coherent strain between the constituent layers, we overcome the biaxial thermal tension from silicon and stabilize<italic>c</italic>-axis oriented BaTiO<sub>3</sub>layers with substantially enhanced tetragonality, as revealed by atomically resolved scanning transmission electron microscopy. Optical second harmonic generation measurements signify a predominant out-of-plane polarized state with strongly enhanced net polarization in the tricolor superlattices, as compared to the BaTiO<sub>3</sub>single film and conventional BaTiO<sub>3</sub>/SrTiO<sub>3</sub>superlattice grown on silicon. Meanwhile, this coherent strain in turn suppresses the magnetism of LaMnO<sub>3</sub>as the thickness of BaTiO<sub>3</sub>increases. Our study raises the prospect of designing artificial oxide superlattices on silicon with tailored functionalities.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000741852200073 Publication Date 2022-01-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 16.6 Times cited 11 Open Access OpenAccess
  Notes This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No 823717—ESTEEM3. B.C. is sponsored by Shanghai Sailing Program 21YF1410700. J.V. and N.G. acknowledge funding through the GOA project “Solarpaint” of the University of Antwerp. The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. D.J. acknowledges funding from FWO Project G093417N from the Flemish fund for scientific research. M.T., N.S., M.F.S. and M.F. acknowledge the financial support by the EU European Research Council (Advanced Grant 694955—INSEETO). M.T. acknowledges the Swiss National Science Foundation under Project No. 200021-188414. N.S. acknowledges support under the Swiss National Science Foundation under Project No. P2EZP2-199913. M.S. acknowledges funding from Slovenian Research Agency (Grants No. J2-2510, N2-0149 and P2-0091). B.C. acknowledges Prof. C.D.; Prof. F.Y.; Prof. B.T. and Dr. K.J. for valuable discussions.; esteem3reported; esteem3TA Approved Most recent IF: 16.6
  Call Number EMAT @ emat @c:irua:185179 Serial 6902
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Author Zheng, Y.-R.; Vernieres, J.; Wang, Z.; Zhang, K.; Hochfilzer, D.; Krempl, K.; Liao, T.-W.; Presel, F.; Altantzis, T.; Fatermans, J.; Scott, S.B.; Secher, N.M.; Moon, C.; Liu, P.; Bals, S.; Van Aert, S.; Cao, A.; Anand, M.; Nørskov, J.K.; Kibsgaard, J.; Chorkendorff, I.
  Title Monitoring oxygen production on mass-selected iridium–tantalum oxide electrocatalysts Type (up) A1 Journal article
  Year 2021 Publication Nature Energy Abbreviated Journal Nat Energy
  Volume Issue Pages
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
  Abstract Development of low-cost and high-performance oxygen evolution reaction catalysts is key to implementing polymer electrolyte membrane water electrolyzers for hydrogen production. Iridium-based oxides are the state-of-the-art acidic oxygen evolution reactio catalysts but still suffer from inadequate activity and stability, and iridium's scarcity motivates the discovery of catalysts with lower iridium loadings. Here we report a mass-selected iridium-tantalum oxide catalyst prepared by a magnetron-based cluster source with considerably reduced noble-metal loadings beyond a commercial IrO2 catalyst. A sensitive electrochemistry/mass-spectrometry instrument coupled with isotope labelling was employed to investigate the oxygen production rate under dynamic operating conditions to account for the occurrence of side reactions and quantify the number of surface active sites. Iridium-tantalum oxide nanoparticles smaller than 2 nm exhibit a mass activity of 1.2 ± 0.5 kA “g” _“Ir” ^“-1” and a turnover frequency of 2.3 ± 0.9 s-1 at 320 mV overpotential, which are two and four times higher than those of mass-selected IrO2, respectively. Density functional theory calculations reveal that special iridium coordinations and the lowered aqueous decomposition free energy might be responsible for the enhanced performance.
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  Language Wos 000728458000001 Publication Date 2021-12-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2058-7546 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 95 Open Access OpenAccess
  Notes Y.-R.Z. and Z.W acknowledge funding from the Toyota Research Institute. This project has received funding from VILLUM FONDEN (grant no. 9455) and the European Research Council under the European Union’s Horizon 2020 research and innovation programme (grants no. 741860-CLUNATRA, no. 815128−REALNANO and no. 770887−PICOMETRICS). S.B. and S.V.A. acknowledge funding from the Research Foundation Flanders (FWO, G026718N and G050218N). T.A. acknowledges the University of Antwerp Research Fund (BOF). STEM measurements were supported by the European Union's Horizon 2020 Research Infrastructure-Integrating Activities for Advanced Communities under grant agreement No 823717 – ESTEEM3.; sygmaSB Approved Most recent IF: NA
  Call Number EMAT @ emat @c:irua:184794 Serial 6903
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Author Oliveira, M.C.; Yusupov, M.; Bogaerts, A.; Cordeiro, R.M.
  Title Distribution of lipid aldehydes in phase-separated membranes: A molecular dynamics study Type (up) A1 Journal article
  Year 2022 Publication Archives Of Biochemistry And Biophysics Abbreviated Journal Arch Biochem Biophys
  Volume 717 Issue Pages 109136
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract It is well established that lipid aldehydes (LAs) are able to increase the permeability of cell membranes and induce their rupture. However, it is not yet clear how LAs are distributed in phase-separated membranes (PSMs), which are responsible for the transport of selected molecules and intracellular signaling. Thus, we investigate here the distribution of LAs in a PSM by coarse-grained molecular dynamics simulations. Our results reveal that LAs derived from mono-unsaturated lipids tend to accumulate at the interface between the liquid-ordered/liquiddisordered domains, whereas those derived from poly-unsaturated lipids remain in the liquid-disordered domain. These results are important for understanding the effects caused by oxidized lipids in membrane structure, properties and organization.
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  Corporate Author Thesis
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  Language Wos 000767632000001 Publication Date 2022-01-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-9861 ISBN Additional Links UA library record; WoS full record
  Impact Factor 3.9 Times cited Open Access OpenAccess
  Notes We thank the University of Antwerp and the Coordination of Superior Level Staff Improvement (CAPES, Brazil) for the scholarship granted. The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. Approved Most recent IF: 3.9
  Call Number PLASMANT @ plasmant @c:irua:185874 Serial 6905
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Author Laroussi, M.; Bekeschus, S.; Keidar, M.; Bogaerts, A.; Fridman, A.; Lu, X.; Ostrikov, K.; Hori, M.; Stapelmann, K.; Miller, V.; Reuter, S.; Laux, C.; Mesbah, A.; Walsh, J.; Jiang, C.; Thagard, S.M.; Tanaka, H.; Liu, D.; Yan, D.; Yusupov, M.
  Title Low-Temperature Plasma for Biology, Hygiene, and Medicine: Perspective and Roadmap Type (up) A1 Journal article
  Year 2022 Publication IEEE transactions on radiation and plasma medical sciences Abbreviated Journal IEEE Trans. Radiat. Plasma Med. Sci.
  Volume 6 Issue 2 Pages 127-157
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Plasma, the fourth and most pervasive state of matter in the visible universe, is a fascinating medium that is connected to the beginning of our universe itself. Man-made plasmas are at the core of many technological advances that include the fabrication of semiconductor devices, which enabled the modern computer and communication revolutions. The introduction of low temperature, atmospheric pressure plasmas to the biomedical field has ushered a new revolution in the healthcare arena that promises to introduce plasma-based therapies to combat some thorny and long-standing medical challenges. This article presents an overview of where research is at today and discusses innovative concepts and approaches to overcome present challenges and take the field to the next level. It is written by a team of experts who took an in-depth look at the various applications of plasma in hygiene, decontamination, and medicine, made critical analysis, and proposed ideas and concepts that should help the research community focus their efforts on clear and practical steps necessary to keep the field advancing for decades to come.
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  Language Wos 000750257400005 Publication Date 2021-12-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-7311 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access OpenAccess
  Notes Research Foundation—Flanders, 1200219N ; Approved Most recent IF: NA
  Call Number PLASMANT @ plasmant @c:irua:185875 Serial 6907
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Author Park, D.-s.; Hadad, M.; Riemer, L.M.; Ignatans, R.; Spirito, D.; Esposito, V.; Tileli, V.; Gauquelin, N.; Chezganov, D.; Jannis, D.; Verbeeck, J.; Gorfman, S.; Pryds, N.; Muralt, P.; Damjanovic, D.
  Title Induced giant piezoelectricity in centrosymmetric oxides Type (up) A1 Journal article
  Year 2022 Publication Science Abbreviated Journal Science
  Volume 375 Issue 6581 Pages 653-657
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Giant piezoelectricity can be induced in centrosymmetric oxides by controlling the long-range motion of oxygen vacancies.
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  Language Wos 000753975300036 Publication Date 2022-02-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0036-8075 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 56.9 Times cited 51 Open Access OpenAccess
  Notes D.-S.P., V.E., N.P., P.M., and D.D. acknowledge the European Commission for project Biowings H2020 Fetopen 2018-2022 (grant no. 80127). N.P. acknowledges funding from the Villum Fonden for the NEED project (grant no. 00027993) and the Danish Council for Independent Research Technology and Production Sciences for the DFF-Research Project 3 (grant no. 00069B). S.G. acknowledges funding from the Israel Science Foundation (research grant 1561/18 and equipment grant 2247/18). This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant no. 823717 – ESTEEM3. D.C. acknowledges TOP/BOF funding of the University of Antwerp. M.H. and P.M. acknowledge funding from the Swiss National Science Foundation (grant nos. 200020-162664/1 and 200021-143424/1); esteem3reported; esteem3TA Approved Most recent IF: 56.9
  Call Number EMAT @ emat @c:irua:185876 Serial 6909
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Author Moretti, M.; Vanschoenwinkel, J.; Van Passel, S.
  Title Accounting for externalities in cross-sectional economic models of climate change impacts Type (up) A1 Journal article
  Year 2021 Publication Ecological Economics Abbreviated Journal Ecol Econ
  Volume 185 Issue Pages 107058
  Keywords A1 Journal article; Economics; Engineering Management (ENM)
  Abstract Environmental effects and natural resources depletion associated with agriculture production affect the agriculture response to climate change. Traditional cross-sectional climate response models ignore this requirement. This research estimates the impact of climate on European agriculture using a continental scale Ricardian analysis. We correct farm income by accounting for resources (energy, fertilisers, pesticides, and water) use intensity and calculate the sustainable value for a sample of 9497 specialized field crop farms. Compared with the traditional Ricardian method, the marginal effects of temperature remain positive (but less positive) in Northern countries, while it leads to less damages in Southern countries when net revenue and farms? sustainable values are used as dependent variables. Accounting for the environmental effects and depletion of natural capital improves the ability of the Ricardian method to estimate agriculture climate response functions in the long run.
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  Language Wos 000647544700012 Publication Date 2021-04-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0921-8009; 1873-6106 ISBN Additional Links UA library record; WoS full record
  Impact Factor 2.965 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 2.965
  Call Number UA @ admin @ c:irua:178955 Serial 6911
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Author Chekol Zewdie, M.; Moretti, M.; Tenessa, D.B.; Ayele, Z.A.; Nyssen, J.; Tsegaye, E.A.; Minale, A.S.; Van Passel, S.
  Title Agricultural technical efficiency of smallholder farmers in Ethiopia : a stochastic frontier approach Type (up) A1 Journal article
  Year 2021 Publication Land Abbreviated Journal
  Volume 10 Issue 3 Pages 246
  Keywords A1 Journal article; Engineering Management (ENM)
  Abstract In the past decade, to improve crop production and productivity, Ethiopia has embarked on an ambitious irrigation farming expansion program and has introduced new large- and small-scale irrigation initiatives. However, in Ethiopia, poverty remains a challenge, and crop productivity per unit area of land is very low. Literature on the technical efficiency (TE) of large-scale and small-scale irrigation user farmers as compared to the non-user farmers in Ethiopia is also limited. Investigating smallholder farmers' TE level and its principal determinants is very important to increase crop production and productivity and to improve smallholder farmers' livelihood and food security. Using 1026 household-level cross-section data, this study adopts a technology flexible stochastic frontier approach to examine agricultural TE of large-scale irrigation users, small-scale irrigation users and non-user farmers in Ethiopia. The results indicate that, due to poor extension services and old-style agronomic practices, the mean TE of farmers is very low (44.33%), implying that there is a wider room for increasing crop production in the study areas through increasing the TE of smallholder farmers without additional investment in novel agricultural technologies. Results also show that large-scale irrigation user farmers (21.05%) are less technically efficient than small-scale irrigation user farmers (60.29%). However, improving irrigation infrastructure shifts the frontier up and has a positive impact on smallholder farmers' output.
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  Language Wos 000633846200001 Publication Date 2021-03-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2073-445x ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access OpenAccess
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:177647 Serial 6913
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Author Ghorbani, A.; Mousazadeh, H.; Taheri, F.; Ehteshammajd, S.; Azadi, H.; Yazdanpanah, M.; Khajehshahkohi, A.; Tanaskovik, V.; Van Passel, S.
  Title An attempt to develop ecotourism in an unknown area : the case of Nehbandan County, South Khorasan Province, Iran Type (up) A1 Journal article
  Year 2021 Publication Environment, development and sustainability Abbreviated Journal
  Volume 23 Issue 8 Pages 11792-11817
  Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
  Abstract This study is an attempt to develop ecotourism in Nehbandan County, in the South Khorasan Province, Iran, by representing unknown areas that have tourism potential. The most important obstacle in the development of tourism industry is the lack of strong marketing plans, tourism management, accommodations for overnight and long stays, and medical and health clinic in the desert. This is a qualitative, exploratory case study investigating the status of environmental, sociocultural, and economic impacts of ecotourism development on the native people's livelihood in Nehbandan County in Iran. The methodology is based on field observations, secondary data sources, and field survey. It is an interpretive approach that avoids numbers but focuses on issues linked to culture and nature. In the present study, the grounded theory was used to perform data analysis. Based on the findings, ecotourism has undoubtedly proven to be an effective environmental conservation tool in the study site and enables local people to increase their livelihood security through employment in activities relating to ecotourism and the development of rural livelihood.
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  Language Wos 000604534700011 Publication Date 2021-01-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1387-585x ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:174994 Serial 6914
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Author Sebhatu, K.T.; Taheri, F.; Berhanu, T.; Maertens, M.; Van Passel, S.; D'Haese, M.
  Title Beyond focus : exploring variability of service provision of agricultural cooperatives Type (up) A1 Journal article
  Year 2021 Publication Annals of public and cooperative economics Abbreviated Journal
  Volume 92 Issue 2 Pages 207-231
  Keywords A1 Journal article; Economics; Engineering Management (ENM)
  Abstract The wide array of services provided by agricultural cooperatives for their members is often not considered in academic studies. Addressing this gap in the literature, our paper explores the wide array of services provided by agricultural cooperatives and how these extend beyond those they were initially intended to provide. We study the extent and characteristics of service portfolios from 511 agricultural cooperatives in the Tigray region of Ethiopia. Results from two-limit Tobit models confirm that government and NGO-initiated cooperatives have a wide service portfolio compared to member-initiated cooperatives. In many of the studied cooperatives, the services they provide and their portfolios are more diverse than expected. Cooperatives seem to go beyond their focal areas of intervention. Also, those cooperatives that are more outward-oriented and where the chair has contact with other cooperatives or businesses, have a wider service portfolio. These results may help to explain the mixed findings on the impact of cooperative membership.
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  Publisher Place of Publication Editor
  Language Wos 000583855500001 Publication Date 2020-10-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1370-4788; 1467-8292 ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access OpenAccess
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:173574 Serial 6916
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Author Buyle, M.; Maes, B.; Van Passel, S.; Boonen, K.; Vercalsteren, A.; Audenaert, A.
  Title Ex-ante LCA of emerging carbon steel slag treatment technologies : fast forwarding lab observations to industrial-scale production Type (up) A1 Journal article
  Year 2021 Publication Journal Of Cleaner Production Abbreviated Journal J Clean Prod
  Volume 313 Issue Pages 127921
  Keywords A1 Journal article; Engineering sciences. Technology; Energy and Materials in Infrastructure and Buildings (EMIB)
  Abstract The valuable properties of carbon steel slag are currently underexploited. To date, research mainly focusses on valorising a single property of the slag. In this study an ex-ante life cycle assessment (LCA) was applied to evaluate the environmental profile of a novel technological pathway aimed at the extraction of chromium from carbon steel slag in combination with high quality valorisation of the residual matrix material. A comparison with current practice was made, not only by calculating the environmental impact of the lab scale observations, but more importantly by estimating the impact on an industrial scale. Practical guidance on ex-ante LCA is limited, so this study contributes by incorporating simulations on thermodynamic behaviour, complemented with empirical calculation rules and including information derived from similar technologies to perform the upscaling. These principles of ex-ante LCA were applied to the lab results of two consecutive research iterations. Substantial improvements of the environmental profile were observed: ex-ante results turned out to be a factor 20 lower compared to the results from the lab observations after the first iteration and had decreased by a factor 2 compared to the small pilot scale of the second iteration. All upscaled results are better than those from the worst case reference scenario (landfill). Based on the experience gained after this iterative research cycle, a practical recommendation is that at a low technology readiness level using more simple calculation rules in combination with a flowsheet based on elementary design principles for processes at an industrial scale is a more efficient way of modelling compared to a fully-fledged process design from the start.
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  Language Wos 000693416000002 Publication Date 2021-06-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0959-6526 ISBN Additional Links UA library record; WoS full record
  Impact Factor 5.715 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 5.715
  Call Number UA @ admin @ c:irua:179313 Serial 6922
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Author Sebhatu, K.T.; Gezahegn, T.W.; Berhanu, T.; Maertens, M.; Van Passel, S.; D'Haese, M.
  Title Exploring variability across cooperatives : economic performance of agricultural cooperatives in northern Ethiopia Type (up) A1 Journal article
  Year 2021 Publication The international food and agribusiness management review Abbreviated Journal
  Volume 24 Issue 3 Pages 397-419
  Keywords A1 Journal article; Engineering Management (ENM)
  Abstract The number of agricultural cooperatives increased quickly in Ethiopia since the 1990s. While many papers studied the impact of membership of Ethiopian cooperatives, not much is known on their performance. This study takes a cooperative-level perspective which is unique in an African context. It compares the economic performance proxied by sales revenue and profit of a wide range of agricultural cooperatives in northern Ethiopia. Data were collected from 511 agricultural cooperatives in 12 districts of Tigray. The contributing factors of the performance are analyzed with Ordinary Least Squares regression (OLS) and Heckman selection models. Our results underscore the importance of membership size, total assets, presence of conflict among members, and union membership. Chairperson characteristics and the internal organization of a cooperative seem to be less correlated to performance.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000645416400002 Publication Date 2021-03-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1096-7508; 1559-2448 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access OpenAccess
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:179025 Serial 6923
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Author Sharafi, L.; Zarafshani, K.; Keshavarz, M.; Azadi, H.; Van Passel, S.
  Title Farmers' decision to use drought early warning system in developing countries Type (up) A1 Journal article
  Year 2021 Publication Science Of The Total Environment Abbreviated Journal Sci Total Environ
  Volume 758 Issue Pages 142761
  Keywords A1 Journal article; Engineering Management (ENM)
  Abstract Drought is a persistent, sluggish natural disaster in developing countries that has generated a financial burden and an unstable climate. Farmers should adopt early warning systems (EWS) in their strategies for monitoring drought to reduce its serious consequences. However, farmers in developing countries are reluctant to use EWS as their management strategies. Hence, the aim of this study was to investigate the decision of farmers to use climate knowledge through the model of farming activity in Kermanshah Township, Iran. A surveyor questionnaire was used to gather data from 370 wheat farmers using random sampling methods inmulti-stage clusters. Results revealed that the decision to use climate information is affected by personal factors, attitude towards climate information, objectives of using climate information, and external/physical farming factors. The result of this study has implications for drought management practitioners. To be specific, the results can aid policymakers to design early alert programs to minimize the risk of drought and thus move from conventional to climate smart agriculture. (C) 2020 Elsevier B.V. All rights reserved.
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  Publisher Place of Publication Editor
  Language Wos 000605623800001 Publication Date 2020-10-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0048-9697 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.9 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 4.9
  Call Number UA @ admin @ c:irua:176030 Serial 6924
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Author Girma, H.; Huge, J.; Gebrehiwot, M.; Van Passel, S.
  Title Farmers' willingness to contribute to the restoration of an Ethiopian Rift Valley lake : a contingent valuation study Type (up) A1 Journal article
  Year 2021 Publication Environment, development and sustainability Abbreviated Journal
  Volume 23 Issue 7 Pages 10646-10665
  Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
  Abstract Lakes provide considerable social, economic, and ecological benefits. However, lakes are shrinking and the water quality is declining, due to human pressures such as water withdrawal and land use change, particularly in the developing world. Despite this, information regarding the economic impact of lake level reduction and local willingness to support restoration programs is lacking. This study employed a contingent valuation method to estimate willingness to pay and to contribute labor to Lake Ziway restoration program, Ethiopia. Face-to-face interviews were administered to 259 randomly selected respondents. Our findings revealed that about one-third of the respondents are willing to pay and about two-third are willing to contribute labor to restore the lake. From the interval regression models, the annual mean willingness to pay was estimated about 21.0 USD for the status quo scenario (the program works to keep water levels constant at current levels) and 31.1 USD for the improvement scenario (the program works to increase the water levels permanently). The annual mean willingness to contribute labor was estimated about 27.7 man-days for the status quo and 39.3 man-days for the improvement scenarios. 'Farm income' positively influenced the willingness to pay together with 'farm plot area.' Similarly, labor contribution was positively influenced by 'farm plot area' and 'education' and negatively by 'farm plot distance.' The economic values derived from this study reflect societal preferences and can form a significant input for policymakers, in support of informed and evidence-based decision-making regarding lake management and restoration in developing countries like Ethiopia.
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  Publisher Place of Publication Editor
  Language Wos 000590038300001 Publication Date 2020-11-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1387-585x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:174271 Serial 6926
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Author Peeters, M.; Compernolle, T.; Van Passel, S.
  Title Influence of information provided at the moment of a fire alarm on the choice of exit Type (up) A1 Journal article
  Year 2020 Publication Fire Safety Journal Abbreviated Journal Fire Safety J
  Volume 117 Issue Pages 103221-103228
  Keywords A1 Journal article; Economics; Engineering Management (ENM); Center for Oncological Research (CORE)
  Abstract The data generated in buildings are used for all types of purposes. The quality of information used in assisting people to escape an emergency situation is of importance. In practice today, none of the data-generating systems that aid in the escape from emergency situations is validated on a regular basis. This study is based on the smart building concept. The rationale behind this concept is to provide information about a building and the usage of that building at each moment in time. An experiment was conducted to measure the impact of different types of information on participants' choice of exit, exit time and distance travelled. Seven identical floors of one building were used with different setups to see if the choice of exit is influenced by the type of information provided at the moment of an alarm. It was found that the information does have a significant impact on the choice of exit, escape speed and distance travelled. Furthermore, it was shown that false information can increase the time it takes to leave the building and the distance travelled, impacting the survival rate. The more imperative information is visualised, the stronger its influence is on the choices made.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000579650800011 Publication Date 2020-09-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0379-7112 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.1 Times cited Open Access
  Notes Approved Most recent IF: 3.1; 2020 IF: 1.165
  Call Number UA @ admin @ c:irua:175125 Serial 6929
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Author Van Schoubroeck, S.; Thomassen, G.; Van Passel, S.; Malina, R.; Springael, J.; Lizin, S.; Venditti, R.A.; Yao, Y.; Van Dael, M.
  Title An integrated techno-sustainability assessment (TSA) framework for emerging technologies Type (up) A1 Journal article
  Year 2021 Publication Green Chemistry Abbreviated Journal Green Chem
  Volume 23 Issue 4 Pages 1700-1715
  Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
  Abstract A better understanding of the drivers of the economic, environmental, and social sustainability of emerging (biobased) technologies and products in early development phases can help decision-makers to identify sustainability hurdles and opportunities. Furthermore, it guides additional research and development efforts and investment decisions, that will, ultimately, lead to more sustainable products and technologies entering a market. To this end, this study developed a novel techno-sustainability assessment (TSA) framework with a demonstration on a biobased chemical application. The integrated TSA compares the potential sustainability performance of different (technology) scenarios and helps to make better-informed decisions by evaluating and trading-off sustainability impacts in one holistic framework. The TSA combines methods for comprehensive indicator selection and integration of technological and country-specific data with environmental, economic, and social data. Multi-criteria decision analysis (MCDA) is used to address data uncertainty and to enable scenario comparison if indicators are expressed in different units. A hierarchical, stochastic outranking approach is followed that compares different weighting schemes and preference structures to check for the robustness of the results. The integrated TSA framework is demonstrated on an application for which the sustainability of a production and harvesting plant of microalgae-based food colorants is assessed. For a set of scenarios that vary with regard to the algae feedstock, production technology, and location, the sustainability performance is quantified and compared, and the underlying reasons for this performance are explored.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000629630600018 Publication Date 2021-02-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9262; 1463-9270 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.125 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 9.125
  Call Number UA @ admin @ c:irua:175716 Serial 6931
Permanent link to this record
 

 
Author Peeters, M.; Compernolle, T.; Van Passel, S.
  Title Leasing out unused meeting room capacity to reduce future office space needs : a case study of The Hague, Netherlands Type (up) A1 Journal article
  Year 2021 Publication Journal of building engineering Abbreviated Journal
  Volume 44 Issue Pages 102953
  Keywords A1 Journal article; Economics; Engineering sciences. Technology; Economics; Engineering Management (ENM)
  Abstract Meeting rooms are reserved 30% of working hours but only used for 20% of that time. By implementing a strategy where the available capacity is leased to the wider market rather than just the building users, there is a positive impact on the economic, environmental, and social factors of the building and its surroundings. This study uses the building 'The Globe' in The Hague as a case study, and then projects the results to the entire city. In case of The Globe, implementing a lease out strategy achieves a reduction of 36% of the annual rent of the meeting rooms to the building's tenant. The owner benefits from a revenue increase of 12.5%, with the same operational expenses (except the reservation system), leading to a proportional higher valuation of the building. Annual energy consumption may be lowered by 6.2%. This study contributes to the literature by considering the total benefits that could be obtained by more efficient use of office space that is currently underused. The application of technology generates added value for economic, environmental, and social factors. These factors are important in real estate as they (among others) have a direct link to the Environmental, Social and Governance (ESG) analysis that investors make before proceeding with an investment.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000701698300003 Publication Date 2021-07-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2352-7102 ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:182469 Serial 6936
Permanent link to this record
 

 
Author Tschulkow, M.; Compernolle, T.; Van Passel, S.
  Title Optimal timing of multiple investment decisions in a wood value chain : a real options approach Type (up) A1 Journal article
  Year 2021 Publication Journal Of Environmental Management Abbreviated Journal J Environ Manage
  Volume 290 Issue Pages 112590
  Keywords A1 Journal article; Economics; Engineering Management (ENM)
  Abstract A new reductive catalytic fractionation biorefinery process (RCF) is currently being developed transforming wood into high-value end-products. RCF is considered to be in the pilot stage with a technology readiness level of 5–6. Apart from the RCF-process characteristics, the economic feasibility also depends on the investment decisions that are made upstream and downstream within the wood value chain, increasing the level of uncertainty. Two investment options within the value chain are considered: an option to invest in harvesting equipment and an option to invest in the RCF. To understand the impact of multiple sources of uncertainty on the decision to invest in an innovative RCF-driven wood value chain, an analytical two-factor real options model is presented, accounting for correlated cost and price uncertainties. Two different scenarios, separated and united investments in harvesting equipment and RCF, are analyzed. In both scenarios, market uncertainty postpones investment in comparison to the traditional NPV approach. When both investments are considered separately, the investment in RCF is expected to be earlier than the investment in harvesting equipment. When both investment decisions are united, the probability of investment increases. The study reveals that RCF has the potential to stimulate investments from different investors, –upstream and midstream–, within the wood value chain. Besides, the introduced real options model proofs its ability to assess the economic feasibility of innovative technologies (e.g RCF) individually or within the value chain, taking into account multiple sources of uncertainty.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000656438000005 Publication Date 2021-04-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0301-4797 ISBN Additional Links UA library record; WoS full record
  Impact Factor 4.01 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 4.01
  Call Number UA @ admin @ c:irua:179487 Serial 6937
Permanent link to this record
 

 
Author Azadi, H.; Moghaddam, S.M.; Burkart, S.; Mahmoudi, H.; Van Passel, S.; Kurban, A.; Lopez-Carr, D.
  Title Rethinking resilient agriculture : from Climate-Smart Agriculture to Vulnerable-Smart Agriculture Type (up) A1 Journal article
  Year 2021 Publication Journal Of Cleaner Production Abbreviated Journal J Clean Prod
  Volume 319 Issue Pages 128602
  Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
  Abstract Climate-Smart Agriculture (CSA) is seeking to overcome the food security problem and develop rural livelihoods while minimizing negative impacts on the environment. However, when such synergies exist, the situation of small-scale farmers is often overlooked, and they are unable to implement new practices and technologies. Therefore, the main aim of this study is to improve CSA by adding the neglected but very important element “small-scale farmer”, and introduce Vulnerable-Smart Agriculture (VSA) as a complete version of CSA. VSA indicates, based on the results of this study, that none of the decisions made by policymakers can be realistic and functional as long as the voice of the farmers influenced by their decisions is not heard. Therefore, to identify different levels for possible interventions and develop VSA monitoring indicators, a new conceptual framework needs to be developed. This study proposed such a framework consisting of five elements: prediction of critical incidents by farmers, measuring the consequences of incidents, identifying farmers' coping strategies, assessing farmers' livelihood capital when facing an incident, and adapting to climate incidents. The primary focus of this study is on farmers' learning and operational preparation to deal with tension and disasters at farm level. Understanding the implications of threats from climate change and the recognizing of coping mechanisms will contribute to an increase in understanding sustainable management.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000728681500005 Publication Date 2021-08-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0959-6526 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.715 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 5.715
  Call Number UA @ admin @ c:irua:184869 Serial 6942
Permanent link to this record
 

 
Author Gezahegn, T.W.; Van Passel, S.; Berhanu, T.; D'Haese, M.; Maertens, M.
  Title Structural and institutional heterogeneity among agricultural cooperatives in Ethiopia : does it matter for farmers' welfare? Type (up) A1 Journal article
  Year 2021 Publication Journal Of Agricultural And Resource Economics Abbreviated Journal J Agr Resour Econ
  Volume 46 Issue 2 Pages 325-342
  Keywords A1 Journal article; Economics; Engineering Management (ENM)
  Abstract This paper analyzes how structural and institutional heterogeneity among irrigation cooperatives shapes the impact of membership on farmers' welfare in northern Ethiopia, using a novel heteroskedasticity-based identification strategy. More specifically, we estimate how cooperative characteristics influence members' income and poverty level. We find that stricter water use regulations have income-enhancing and poverty-reducing effects for farmers. We also find that farmers benefit more from membership in larger, younger, and bottom-up cooperatives initiated through grassroots collective action. Our findings have implications for irrigation development in Ethiopia and call for a better deliberation of organizational heterogeneity in cooperative impact studies
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000656121100010 Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1068-5502; 2327-8285 ISBN Additional Links UA library record; WoS full record
  Impact Factor 1 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 1
  Call Number UA @ admin @ c:irua:179190 Serial 6945
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 (up) 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
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Author Pramanik, G.; Kvakova, K.; Thottappali, M.A.; Rais, D.; Pfleger, J.; Greben, M.; El-Zoka, A.; Bals, S.; Dracinsky, M.; Valenta, J.; Cigler, P.
  Title Inverse heavy-atom effect in near infrared photoluminescent gold nanoclusters Type (up) A1 Journal Article
  Year 2021 Publication Nanoscale Abbreviated Journal Nanoscale
  Volume 13 Issue 23 Pages 10462-10467
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
  Abstract Fluorophores functionalized with heavy elements show enhanced intersystem crossing due to increased spin–orbit coupling, which in turn shortens the fluorescence decay lifetime (<italic>τ</italic><sup>PL</sup>). This phenomenon is known as the heavy-atom effect (HAE). Here, we report the observation of increased<italic>τ</italic><sup>PL</sup>upon functionalisation of near-infrared photoluminescent gold nanoclusters with iodine. The heavy atom-mediated increase in<italic>τ</italic><sup>PL</sup>is in striking contrast with the HAE and referred to as inverse HAE. Femtosecond and nanosecond transient absorption spectroscopy revealed overcompensation of a slight decrease in lifetime of the transition associated with the Au core (ps) by a large increase in the long-lived triplet state lifetime associated with the Au shell, which contributed to the observed inverse HAE. This unique observation of inverse HAE in gold nanoclusters provides the means to enhance the triplet excited state lifetime.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 2021-05-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2040-3364 ISBN Additional Links
  Impact Factor 7.367 Times cited 7 Open Access OpenAccess
  Notes The authors acknowledge support from GACR project Nr.18- 12533S. G. P. acknowledges support from EUSMI project No. E180200060; J.P. from the Ministry of Education, Youth and Sports of the Czech Republic – Program INTER-EXCELLENCE (LTAUSA19066). Approved Most recent IF: 7.367
  Call Number EMAT @ emat @ Serial 6950
Permanent link to this record
 

 
Author Mallick, S.; Zhang, W.; Batuk, M.; Gibbs, A.S.; Hadermann, J.; Halasyamani, P.S.; Hayward, M.A.
  Title The crystal and defect structures of polar KBiNb2O7 Type (up) A1 Journal article
  Year 2022 Publication Journal of the Chemical Society : Dalton transactions Abbreviated Journal Dalton T
  Volume 51 Issue 5 Pages 1866-1873
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract KBiNb2O7 was prepared from RbBiNb2O7 by a sequence of cation exchange reactions which first convert RbBiNb2O7 to LiBiNb2O7, before KBiNb2O7 is formed by a further K-for-Li cation exchange. A combination of neutron, synchrotron X-ray and electron diffraction data reveal that KBiNb2O7 adopts a polar, layered, perovskite structure (space group A11m) in which the BiNb2O7 layers are stacked in a (0, ½, z) arrangement, with the K+ cations located in half of the available 10-coordinate interlayer cation sites. The inversion symmetry of the phase is broken by a large displacement of the Bi3+ cations parallel to the y-axis. HAADF-STEM images reveal that KBiNb2O7 exhibits frequent stacking faults which convert the (0. ½, z) layer stacking to (½, 0, z) stacking and vice versa, essentially switching the x- and y-axes of the material. By fitting the complex diffraction peak shape of the SXRD data collected from KBiNb2O7 it is estimated that each layer has approximately an ~11% chance of being defective – a high level which is attributed to the lack of cooperative NbO6 tilting in the material, which limits the lattice strain associated with each fault.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000741540300001 Publication Date 2022-01-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1477-9226 ISBN Additional Links UA library record; WoS full record
  Impact Factor 4 Times cited Open Access OpenAccess
  Notes Experiments at the Diamond Light Source were performed as part of the Block Allocation Group award “Oxford/Warwick Solid State Chemistry BAG to probe composition-structure-property relationships in solids” (EE18786). Experiments at the ISIS pulsed neutron facility were supported by a beam time allocation from the STFC (RB 2000148). SM thanks Somerville College for an Oxford Ryniker Lloyd scholarship. PSH and WZ thank the National Science Foundation (DMR-2002319) for support. Approved Most recent IF: 4
  Call Number EMAT @ emat @c:irua:185504 Serial 6951
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Author Veronesi, S.; Pfusterschmied, G.; Fabbri, F.; Leitgeb, M.; Arif, O.; Esteban, D.A.; Bals, S.; Schmid, U.; Heun, S.
  Title 3D arrangement of epitaxial graphene conformally grown on porousified crystalline SiC Type (up) A1 Journal article
  Year 2022 Publication Carbon Abbreviated Journal Carbon
  Volume 189 Issue Pages 210-218
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000760358800008 Publication Date 2021-12-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0008-6223 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 10.9 Times cited 3 Open Access OpenAccess
  Notes Horizon 2020; European Commission; Horizon 2020 Framework Programme; European Research Council, 128 731 019 ; European Research Council, REALNANO 815 128 ; sygmaSB Approved Most recent IF: 10.9
  Call Number EMAT @ emat @c:irua:186583 Serial 6952
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Author Van Everbroeck, T.; Wu, J.; Arenas-Esteban, D.; Ciocarlan, R.-G.; Mertens, M.; Bals, S.; Dujardin, C.; Granger, P.; Seftel, E.M.; Cool, P.
  Title ZnAl layered double hydroxide based catalysts (with Cu, Mn, Ti) used as noble metal-free three-way catalysts Type (up) A1 Journal article
  Year 2022 Publication Applied clay science Abbreviated Journal Appl Clay Sci
  Volume 217 Issue Pages 106390
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000795870100004 Publication Date 2022-01-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0169-1317 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.6 Times cited 6 Open Access OpenAccess
  Notes The authors acknowledge financial support by theEuropean Union’s Horizon 2020 Project Partial-PGMs (H2020-NMP-686086). R-G C. and P.C. acknowledge the FWO-Flanders (project no. G038215N) for financial support. S⋅B and D.A.E thank the financial support of the European Research Council (ERC-CoG-2019 815128). The authors are grateful to Johnson Matthey, UK, for supplying the commercial benchmark catalysts; realnano; sygmaSB Approved Most recent IF: 5.6
  Call Number EMAT @ emat @c:irua:186956 Serial 6955
Permanent link to this record
 

 
Author Heyvaert, W.; Pedrazo-Tardajos, A.; Kadu, A.; Claes, N.; González-Rubio, G.; Liz-Marzán, L.M.; Albrecht, W.; Bals, S.
  Title Quantification of the Helical Morphology of Chiral Gold Nanorods Type (up) A1 Journal article
  Year 2022 Publication ACS materials letters Abbreviated Journal ACS Materials Lett.
  Volume 4 Issue Pages 642-649
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Chirality in inorganic nanoparticles and nanostructures has gained increasing scientific interest, because of the possibility to tune their ability to interact differently with left- and right-handed circularly polarized light. In some cases, the optical activity is hypothesized to originate from a chiral morphology of the nanomaterial. However, quantifying the degree of chirality in objects with sizes of tens of nanometers is far from straightforward. Electron tomography offers the possibility to faithfully retrieve the three-dimensional morphology of nanomaterials, but only a qualitative interpretation of the morphology of chiral nanoparticles has been possible so far. We introduce herein a methodology that enables us to quantify the helicity of complex chiral nanomaterials, based on the geometrical properties of a helix. We demonstrate that an analysis at the single particle level can provide significant insights into the origin of chiroptical properties.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000784490000013 Publication Date 2022-03-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2639-4979 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 11 Open Access OpenAccess
  Notes S.B. and A.P.-T. gratefully acknowledge funding by the European Research Council (ERC Consolidator Grant #815128-REALNANO) the European Union’s Horizon 2020 research and innovation program under grant agreement #823717ESTEEM3. L.M.L.-M. acknowledges funding from MCIN/ AEI /10.13039/501100011033, grant # PID2020- 117779RB-I00 and the Maria de Maeztu Units of Excellence Program from the Spanish State Research Agency (Grant No. MDM-2017-0720). G.G.-R. thanks the Spanish Spanish Ministerio de Ciencia e Innovación for an FPI (BES-2014- 068972) fellowship.; SygmaSB; esteem3reported; esteem3jra Approved Most recent IF: NA
  Call Number EMAT @ emat @c:irua:186959 Serial 6956
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Author Ning, S.; Xu, W.; Ma, Y.; Loh, L.; Pennycook, T.J.; Zhou, W.; Zhang, F.; Bosman, M.; Pennycook, S.J.; He, Q.; Loh, N.D.
  Title Accurate and Robust Calibration of the Uniform Affine Transformation Between Scan-Camera Coordinates for Atom-Resolved In-Focus 4D-STEM Datasets Type (up) A1 Journal article
  Year 2022 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
  Volume Issue Pages 1-11
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Accurate geometrical calibration between the scan coordinates and the camera coordinates is critical in four-dimensional scanning transmission electron microscopy (4D-STEM) for both quantitative imaging and ptychographic reconstructions. For atomic-resolved, in-focus 4D-STEM datasets, we propose a hybrid method incorporating two sub-routines, namely a J-matrix method and a Fourier method, which can calibrate the uniform affine transformation between the scan-camera coordinates using raw data, without a priori knowledge about the crystal structure of the specimen. The hybrid method is found robust against scan distortions and residual probe aberrations. It is also effective even when defects are present in the specimen, or the specimen becomes relatively thick. We will demonstrate that a successful geometrical calibration with the hybrid method will lead to a more reliable recovery of both the specimen and the electron probe in a ptychographic reconstruction. We will also show that, although the elimination of local scan position errors still requires an iterative approach, the rate of convergence can be improved, and the residual errors can be further reduced if the hybrid method can be firstly applied for initial calibration. The code is made available as a simple-to-use tool to correct affine transformations of the scan-camera coordinates in 4D-STEM experiments.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000767045700001 Publication Date 2022-03-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1431-9276 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.8 Times cited Open Access OpenAccess
  Notes N. D. Loh kindly acknowledges support from NUS Early Career Research Award (R-154-000-B35-133), MOE’s AcRF Tier 1 grant nr. R-284-000-172-114 and NRF CRP grant number NRF-CRP16-2015-05. Q. He would also like to acknowledge the support of the National Research Foundation (NRF) Singapore, under its NRF Fellowship (NRF-NRFF11-2019-0002). W. Zhou acknowledges the support from Beijing Outstanding Young Scientist Program (BJJWZYJH01201914430039). F. Zhang acknowledges the support of the National Natural Science Foundation of China (11775105, 12074167). T. J. Pennycook acknowledges funding under the European Union’s Horizon 2020 research and innovation programme from the European Research Council (ERC) Grant agreement No. 802123-HDEM. Approved Most recent IF: 2.8
  Call Number EMAT @ emat @c:irua:186958 Serial 6957
Permanent link to this record
 

 
Author Windels, S.; Diefenhardt, T.; Jain, N.; Marquez, C.; Bals, S.; Schlummer, M.; De Vos, D.E.
  Title Catalytic upcycling of PVC waste-derived phthalate esters into safe, hydrogenated plasticizers Type (up) A1 Journal article
  Year 2022 Publication Green chemistry : cutting-edge research for a greener sustainable future Abbreviated Journal Green Chem
  Volume 24 Issue 2 Pages 754-766
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Recycling of end-of-life polyvinyl chloride (PVC) calls for solutions to deal with the vast amounts of harmful phthalate plasticizers that have historically been incorporated in PVC. Here, we report on the upcycling of such waste-extracted phthalate esters into analogues of the much safer diisononyl 1,2-cyclohexanedicarboxylate plasticizer (DINCH), via a catalytic one-pot (trans)esterification-hydrogenation process. For most of the virgin phthalates, Ru/Al2O3 is a highly effective hydrogenation catalyst, yielding >99% ring-hydrogenated products under mild reaction conditions (0.1 mol% Ru, 80 degrees C, 50 bar H-2). However, applying this reaction to PVC-extracted phthalates proved problematic, (1) as benzyl phthalates are hydrogenolyzed to benzoic acids that inhibit the Ru-catalyst, and (2) because impurities in the plasticizer extract (PVC, sulfur) further retard the hydrogenation. These complications were solved by coupling the hydrogenation to an in situ (trans)esterification with a higher alcohol, and by pretreating the extract with an activated carbon adsorbent. In this way, a real phthalate extract obtained from post-consumer PVC waste was eventually completely (>99%) hydrogenated to phthalate-free, cycloaliphatic plasticizers.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000726865200001 Publication Date 2021-11-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9262; 1463-9270 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.8 Times cited 8 Open Access Not_Open_Access
  Notes This project has received funding from the European Union’s Horizon 2020 Research and Innovation Programme under grant agreement no. 821366 (programma acronym: Circular Flooring). D. E. D. V. thanks FWO for project funding (SBO project S001819N Triple Cycle); N. J. and S. B. acknowledge the financial support from FWO and FNRS (EOS 30489208). Finally, the authors also thank S. Smolders for assistance with the TGA-MS experiments and D. Paredaens for his experimental contribution Approved Most recent IF: 9.8
  Call Number UA @ admin @ c:irua:184746 Serial 6958
Permanent link to this record
 

 
Author Missen, O.P.; Mills, S.J.; Canossa, S.; Hadermann, J.; Nenert, G.; Weil, M.; Libowitzky, E.; Housley, R.M.; Artner, W.; Kampf, A.R.; Rumsey, M.S.; Spratt, J.; Momma, K.; Dunstan, M.A.
  Title Polytypism in mcalpineite : a study of natural and synthetic Cu₃TeO₆ Type (up) A1 Journal article
  Year 2022 Publication Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online) Abbreviated Journal Acta Crystallogr B
  Volume 78 Issue 1 Pages
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Synthetic and naturally occurring forms of tricopper orthotellurate, (Cu3TeO6)-Te-II-O-IV (the mineral mcalpineite) have been investigated by 3D electron diffraction (3D ED), X-ray powder diffraction (XRPD), Raman and infrared (IR) spectroscopic measurements. As a result of the diffraction analyses, (Cu3TeO6)-Te-II-O-IV is shown to occur in two polytypes. The higher-symmetric (Cu3TeO6)-Te-II-O-IV-1C polytype is cubic, space group 1a (3) over bar, with a = 9.537 (1) angstrom and V = 867.4 (3) angstrom(3) as reported in previous studies. The 1C polytype is a well characterized structure consisting of alternating layers of (CuO6)-O-II octahedra and both (CuO6)-O-II and (TeO6)-O-VI octahedra in a patchwork arrangement. The structure of the lower-symmetric orthorhombic (Cu3TeO6)-Te-II-O-IV-2O polytype was determined for the first time in this study by 3D ED and verified by Rietveld refinement. The 2O polytype crystallizes in space group Pcca, with a = 9.745 (3) angstrom, b = 9.749 (2) angstrom, c = 9.771 (2) angstrom and V = 928.3 (4) angstrom(3) . High-precision XRPD data were also collected on (Cu3TeO6)-Te-II-O-IV-2O to verify the lower-symmetric structure by performing a Rietveld refinement. The resultant structure is identical to that determined by 3D ED, with unit-cell parameters a = 9.56157 (19) angstrom, b = 9.55853 (11) angstrom, c = 9.62891 (15) angstrom and V = 880.03 (2) angstrom(3) . The lower symmetry of the 2O polytype is a consequence of a different cation ordering arrangement, which involves the movement of every second (CuO6)-O-II and (TeO6)-O-VI octahedral layer by (1/4, 1/4, 0), leading to an offset of (TeO6)-O-VI and (CuO6)-O-II octahedra in every second layer giving an ABAB* stacking arrangement. Syntheses of (Cu3TeO6)-Te-II-O-IV showed that low-temperature (473 K) hydrothermal conditions generally produce the 2O polytype. XRPD measurements in combination with Raman spectroscopic analysis showed that most natural mcalpineite is the orthorhombic 2O polytype. Both XRPD and Raman spectroscopy measurements may be used to differentiate between the two polytypes of (Cu3TeO6)-Te-II-O-IV. In Raman spectroscopy, (Cu3TeO6)-Te-II-O-IV-1C has a single strong band around 730 cm(-1), whereas (Cu3TeO6)-Te-II-O-IV-2O shows a broad double maximum with bands centred around 692 and 742 cm(-1).
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000752899700003 Publication Date 2022-01-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2052-5206 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.9 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 1.9
  Call Number UA @ admin @ c:irua:186529 Serial 6962
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Author Milošević, M.V.; Mandrus, D.
  Title 2D quantum materials : magnetism and superconductivity Type (up) A1 Journal article
  Year 2021 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
  Volume 130 Issue 18 Pages 180401
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000720289900004 Publication Date 2021-11-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record
  Impact Factor 2.068 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 2.068
  Call Number UA @ admin @ c:irua:184090 Serial 6963
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Author Bafekry, A.; Faraji, M.; Ziabari, A.A.; Fadlallah, M.M.; Nguyen, C., V; Ghergherehchi, M.; Feghhi, S.A.H.
  Title A van der Waals heterostructure of MoS₂/MoSi₂N₄ : a first-principles study Type (up) A1 Journal article
  Year 2021 Publication New Journal Of Chemistry Abbreviated Journal New J Chem
  Volume 45 Issue 18 Pages 8291-8296
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Motivated by the successful preparation of MoSi2N4 monolayers in the last year [Y.-L. Hong et al., Science, 2020, 369, 670-674], we investigate the structural, electronic and optical properties of the MoS2/MoSi2N4 heterostructure (HTS). The phonon dispersion and the binding energy calculations refer to the stability of the HTS. The heterostructure has an indirect bandgap of 1.26 (1.84) eV using PBE (HSE06) which is smaller than the corresponding value of MoSi2N4 and MoS2 monolayers. We find that the work function of the MoS2/MoSi2N4 HTS is smaller than the corresponding value of its individual monolayers. The heterostructure structure can enhance the absorption of light spectra not only in the ultraviolet region but also in the visible region as compared to MoSi2N4 and MoS2 monolayers. The refractive index behaviour of the HTS can be described as the cumulative effect which is well described in terms of a combination of the individual effects (the refractive index of MoSi2N4 and MoS2 monolayers).
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000642436200001 Publication Date 2021-03-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1144-0546 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.269 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 3.269
  Call Number UA @ admin @ c:irua:178300 Serial 6964
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