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Author Deben, C.; Cardenas De La Hoz, E.; Le Compte, M.; Van Schil, P.; Hendriks, J.M.H.; Lauwers, P.; Yogeswaran, S.K.; Lardon, F.; Pauwels, P.; van Laere, S.; Bogaerts, A.; Smits, E.; Vanlanduit, S.; Lin, A.
Title OrBITS : label-free and time-lapse monitoring of patient derived organoids for advanced drug screening Type A1 Journal article
Year 2022 Publication Cellular Oncology (2211-3428) Abbreviated Journal Cell Oncol
Volume Issue Pages 1-16
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Center for Oncological Research (CORE)
Abstract Background Patient-derived organoids are invaluable for fundamental and translational cancer research and holds great promise for personalized medicine. However, the shortage of available analysis methods, which are often single-time point, severely impede the potential and routine use of organoids for basic research, clinical practise, and pharmaceutical and industrial applications. Methods Here, we developed a high-throughput compatible and automated live-cell image analysis software that allows for kinetic monitoring of organoids, named Organoid Brightfield Identification-based Therapy Screening (OrBITS), by combining computer vision with a convolutional network machine learning approach. The OrBITS deep learning analysis approach was validated against current standard assays for kinetic imaging and automated analysis of organoids. A drug screen of standard-of-care lung and pancreatic cancer treatments was also performed with the OrBITS platform and compared to the gold standard, CellTiter-Glo 3D assay. Finally, the optimal parameters and drug response metrics were identified to improve patient stratification. Results OrBITS allowed for the detection and tracking of organoids in routine extracellular matrix domes, advanced Gri3D (R)-96 well plates, and high-throughput 384-well microplates, solely based on brightfield imaging. The obtained organoid Count, Mean Area, and Total Area had a strong correlation with the nuclear staining, Hoechst, following pairwise comparison over a broad range of sizes. By incorporating a fluorescent cell death marker, infra-well normalization for organoid death could be achieved, which was tested with a 10-point titration of cisplatin and validated against the current gold standard ATP-assay, CellTiter-Glo 3D. Using this approach with OrBITS, screening of chemotherapeutics and targeted therapies revealed further insight into the mechanistic action of the drugs, a feature not achievable with the CellTiter-Glo 3D assay. Finally, we advise the use of the growth rate-based normalised drug response metric to improve accuracy and consistency of organoid drug response quantification. Conclusion Our findings validate that OrBITS, as a scalable, automated live-cell image analysis software, would facilitate the use of patient-derived organoids for drug development and therapy screening. The developed wet-lab workflow and software also has broad application potential, from providing a launching point for further brightfield-based assay development to be used for fundamental research, to guiding clinical decisions for personalized medicine.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000898426100001 Publication Date 2022-12-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2211-3428; 2211-3436 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.6 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 6.6
Call Number UA @ admin @ c:irua:192698 Serial 7272
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Author Perreault, P.; Kummamuru, N.B.; Gonzalez Quiroga, A.; Lenaerts, S.
Title CO2 capture initiatives : are governments, society, industry and the financial sector ready? Type A1 Journal article
Year 2022 Publication Current Opinion in Chemical Engineering Abbreviated Journal Curr Opin Chem Eng
Volume 38 Issue Pages 100874
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The deployment of CCUS plants does not match the enormous requirements to meet the CO2 emission reductions fixed during the Paris agreement, and we must ask ourselves what is refraining the technology deployment, especially in light of the recent high CO2 prices. Owing to the higher costs than their fossil counterparts, Carbon Capture & Utilization represents a long-term solution. In addition to a gigantic scale-up effort even for the most mature Carbon Capture & Storage (CCS) technologies, various factors are responsible for the slow roll-out of CCS projects. Luckily, the financial sector and governments are playing their role. Support from the public is however key, and an open communication is required to convert social tolerance into social acceptance.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000885329800001 Publication Date 2022-10-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2211-3398 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.6 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 6.6
Call Number UA @ admin @ c:irua:191272 Serial 7137
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Author Ysebaert, T.; Samson, R.; Denys, S.
Title Parameterisation of the drag effect of climbers depending on wind speed and LAD Type A1 Journal article
Year 2022 Publication Sustainable Cities and Society Abbreviated Journal Sustain Cities Soc
Volume 84 Issue Pages 103979-12
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The implementation of green walls is increasingly seen as a strategy to tackle urban air pollution and to make cities more climate resilient. The correct description of the vegetation-wind interaction is key in describing the effect of vegetation in computational fluid dynamics (CFD) models. The accuracy of the modelled wind flow is highly linked to the uncertainty about the drag coefficient (C-d). In addition, at low wind speeds viscous drag (K) is not negligible and it should be regarded in CFD models. This research aims to address the uncertainty related to C-d and K by including the effect of climbers on both the momentum and turbulence equations in the Wilcox revised k-omega model. The change of K with increasing Reynolds number showed an increase from 5.10(-8 )m(2) up to the dynamic viscosity of air (asymptotic to 10(-5) m(2)) following a logistic function. Beyond the transition region from viscous to form drag, C-d, in the range of 0.1-1.1, declined with increasing Reynolds number following a power law function. Furthermore, the plant morphological parameters determining permeability and drag coefficient were identified. This study showed that the knowledge of viscous and shape resistance is necessary to obtain accurate statistics for air flow through vegetation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000831685500001 Publication Date 2022-06-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2210-6707 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 11.7
Call Number UA @ admin @ c:irua:189465 Serial 7187
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Author Guo, A.; Bai, H.; Liang, Q.; Feng, L.; Su, X.; Van Tendeloo, G.; Wu, J.
Title Resistive switching in Ag₂Te semiconductor modulated by Ag+-ion diffusion and phase transition Type A1 Journal article
Year 2022 Publication Advanced Electronic Materials Abbreviated Journal Adv Electron Mater
Volume Issue Pages 2200850-2200858
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Memristors are considered to be the fourth circuit element and have great potential in areas like logic operations, information storage, and neuromorphic computing. The functional material in a memristor, which has a nonlinear resistance, is the key component to be developed. Herein, resistive switching is demonstrated and the structural evolutions in Ag2Te are examined under an external electric field. It is shown that the electroresistance effect is originating from an electronically triggered phase transition together with directional Ag+-ion diffusion. Using in situ transmission electron microscopy, the phase transition from the monoclinic alpha-Ag2Te into the face-centered cubic beta-Ag2Te, accompanied by a change in resistance, is directly observed. Diffusion of Ag+-ions modulates the localized density of Ag+-ion vacancies, leading to a change in electrical conductivity and influences the threshold voltage to trigger the phase transition. During the electric field-driven phase transition, the spontaneous and localized multiple polarizations from the low-symmetry alpha-Ag2Te (referring to an antiferroelectric structure) are vanishing in the cubic beta-Ag2Te (referring to a paraelectric structure). The abrupt resistance change of thin Ag2Te caused by the phase transition and modulated by the applied electric field demonstrates its great potential as functional material in volatile memory and memristors with a low-energy consumption.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000855728500001 Publication Date 2022-09-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2199-160x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.2 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 6.2
Call Number UA @ admin @ c:irua:190582 Serial 7203
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Author Ying, J.; Lenaerts, S.; Symes, M.D.; Yang, X.-Y.
Title Hierarchical design in nanoporous metals Type A1 Journal article
Year 2022 Publication Advanced Science Abbreviated Journal Adv Sci
Volume 9 Issue 27 Pages 2106117-2106120
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Hierarchically porous metals possess intriguing high accessibility of matter molecules and unique continuous metallic frameworks, as well as a high level of exposed active atoms. High rates of diffusion and fast energy transfer have been important and challenging goals of hierarchical design and porosity control with nanostructured metals. This review aims to summarize recent important progress toward the development of hierarchically porous metals, with special emphasis on synthetic strategies, hierarchical design in structure-function and corresponding applications. The current challenges and future prospects in this field are also discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000831201000001 Publication Date 2022-07-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2198-3844 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 15.1 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 15.1
Call Number UA @ admin @ c:irua:189646 Serial 7170
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Author Lu, W.; Cui, W.; Zhao, W.; Lin, W.; Liu, C.; Van Tendeloo, G.; Sang, X.; Zhao, W.; Zhang, Q.
Title In situ atomistic insight into magnetic metal diffusion across Bi0.5Sb1.5Te3 quintuple layers Type A1 Journal article
Year 2022 Publication Advanced Materials Interfaces Abbreviated Journal Adv Mater Interfaces
Volume Issue Pages 2102161
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Diffusion and occupancy of magnetic atoms in van der Waals (VDW) layered materials have significant impact on applications such as energy storage, thermoelectrics, catalysis, and topological phenomena. However, due to the weak VDW bonding, most research focus on in-plane diffusion within the VDW gap, while out-of-plane diffusion has rarely been reported. Here, to investigate out-of-plane diffusion in VDW-layered Bi2Te3-based alloys, a Ni/Bi0.5Sb1.5Te3 heterointerface is synthesized by depositing magnetic Ni metal on a mechanically exfoliated Bi0.5Sb1.5Te3 (0001) substrate. Diffusion of Ni atoms across the Bi0.5Sb1.5Te3 quintuple layers is directly observed at elevated temperatures using spherical-aberration-corrected scanning transmission electron microscopy (STEM). Density functional theory calculations demonstrate that the diffusion energy barrier of Ni atoms is only 0.31-0.45 eV when they diffuse through Te-3(Bi, Sb)(3) octahedron chains. Atomic-resolution in situ STEM reveals that the distortion of the Te-3(Bi, Sb)(3) octahedron, induced by the Ni occupancy, drives the formation of coherent NiM (M = Bi, Sb, Te) at the heterointerfaces. This work can lead to new strategies to design novel thermoelectric and topological materials by introducing magnetic dopants to VDW-layered materials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000751742300001 Publication Date 2022-02-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2196-7350 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.4 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 5.4
Call Number UA @ admin @ c:irua:186421 Serial 6960
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Author Neven, L.; Barich, H.; Pelmuş, M.; Gorun, S.M.; De Wael, K.
Title The role of singlet oxygen, superoxide, hydroxide, and hydrogen peroxide in the photoelectrochemical response of phenols at a supported highly fluorinated zinc phthalocyanine Type A1 Journal article
Year 2022 Publication ChemElectroChem Abbreviated Journal
Volume 9 Issue 6 Pages e202200108-10
Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract Photoelectrochemical (PEC) sensing of phenolic compounds using singlet oxygen (1O2)-generating photocatalysts has emerged as a powerful detection tool. However, it is currently not known how experimental parameters, such as pH and applied potential, influence the generation of reactive oxygen species (ROS) and their photocurrents. In this article, the PEC response was studied over the 6 to 10 pH range using a rotating (ring) disk (R(R)DE) set-up in combination with quenchers, to identify the ROS formed upon illumination of a supported photosensitizer, F64PcZn. The photocurrents magnitude depended on the applied potential and the pH of the buffer solution. The anodic responses were caused by the oxidation of O2.−, generated due to the quenching of 1O2 with −OH and the reaction of 3O2 with [F64Pc(3-)Zn]. The cathodic responses were assigned to the reduction of 1O2 and O2.−, yielding H2O2. These insights may benefit 1O2 – based PEC sensing applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000773947300003 Publication Date 2022-02-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2196-0216 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes Approved no
Call Number UA @ admin @ c:irua:187524 Serial 8926
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Author Monico, L.; Rosi, F.; Vivani, R.; Cartechini, L.; Janssens, K.; Gauquelin, N.; Chezganov, D.; Verbeeck, J.; Cotte, M.; D'Acapito, F.; Barni, L.; Grazia, C.; Buemi, L.P.; Andral, J.-L.; Miliani, C.; Romani, A.
Title Deeper insights into the photoluminescence properties and (photo)chemical reactivity of cadmium red (CdS1-xSex) paints in renowned twentieth century paintings by state-of-the-art investigations at multiple length scales Type A1 Journal article
Year 2022 Publication The European Physical Journal Plus Abbreviated Journal Eur Phys J Plus
Volume 137 Issue 3 Pages 311
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Antwerp X-ray Imaging and Spectroscopy (AXIS)
Abstract Cadmium red is the name used for denoting a class of twentieth century artists' pigments described by the general formula CdS1-xSex. For their vibrant hues and excellent covering power, a number of renowned modern and contemporary painters, including Jackson Pollock, often used cadmium reds. As direct band gap semiconductors, CdS1-xSex compounds undergo direct radiative recombination (with emissions from the green to orange region) and radiative deactivation from intragap trapping states due to crystal defects, which give rise to two peculiar red-NIR emissions, known as deep level emissions (DLEs). The positions of the DLEs mainly depend on the Se content of CdS1-xSex; thus, photoluminescence and diffuse reflectance vis-NIR spectroscopy have been profitably used for the non-invasive identification of different cadmium red varieties in artworks over the last decade. Systematic knowledge is however currently lacking on what are the parameters related to intrinsic crystal defects of CdS1-xSex and environmental factors influencing the spectral properties of DLEs as well as on the overall (photo)chemical reactivity of cadmium reds in paint matrixes. Here, we present the application of a novel multi-length scale and multi-method approach to deepen insights into the photoluminescence properties and (photo)chemical reactivity of cadmium reds in oil paintings by combining both well established and new non-invasive/non-destructive analytical techniques, including macro-scale vis-NIR and vibrational spectroscopies and micro-/nano-scale advanced electron microscopy mapping and X-ray methods employing synchrotron radiation and conventional sources. Macro-scale vis-NIR spectroscopy data obtained from the in situ non-invasive analysis of nine masterpieces by Gerardo Dottori, Jackson Pollock and Nicolas de Stael allowed classifying the CdS1-xSex-paints in three groups, according to the relative intensity of the two DLE bands. These outcomes, combined with results from micro-/nano-scale electron microscopy mapping and X-ray analysis of a set of CdS1-xSex powders and artificially aged paint mock-ups, indicated that the relative intensity of DLEs is not affected by the morphology, microstructure and local atomic environment of the pigment particles but it is influenced by the presence of moisture. Furthermore, the extensive study of artificially aged oil paint mock-ups permitted us to provide first evidence of the tendency of cadmium reds toward photo-degradation and to establish that the conversion of CdS1-xSex to CdSO4 and/or oxalates is triggered by the oil binding medium and moisture level and depends on the Se content. Based on these findings, we could interpret the localized presence of CdSO4 and cadmium oxalate as alteration products of the original cadmium red paints in two paintings by Pollock.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000765807600002 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2190-5444 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.4 Times cited 3 Open Access OpenAccess
Notes g The research was financially supported by the EU FP7 and Horizon 2020 Projects CHARISMA (FP7-INFRASTRUCTURES, GA No. 228330), IPERION-CH (H2020-INFRAIA-2014-2015, GA No. 654028), IPERION-HS (H2020-INFRAIA-2019-1, GA No. 871034) and ESTEEM3 (Research and innovation programme, GA No. 823717) and the Italian project AMIS (Dipartimenti di Eccellenza 2018–2022, funded by MIUR and Perugia University). For the beamtime grants received, we thank ESRF-ID21 (Experiment No. HG156 and in-house beamtimes) and the CERIC-ERIC Research Infrastructure for the investigations at ESRF-BM08 (LISA) beamline (Proposal Id: 20207042). D.C. acknowledges TOP/BOF funding of the University of Antwerp.; esteem3reported; esteem3TA Approved Most recent IF: 3.4
Call Number UA @ admin @ c:irua:187375 Serial 7060
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Author Zhang, Y.; Qin, S.; Claes, N.; Schilling, W.; Sahoo, P.K.; Ching, H.Y.V.; Jaworski, A.; Lemière, F.; Slabon, A.; Van Doorslaer, S.; Bals, S.; Das, S.
Title Direct Solar Energy-Mediated Synthesis of Tertiary Benzylic Alcohols Using a Metal-Free Heterogeneous Photocatalyst Type A1 Journal article
Year 2022 Publication ACS Sustainable Chemistry and Engineering Abbreviated Journal Acs Sustain Chem Eng
Volume 10 Issue 1 Pages 530-540
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Organic synthesis (ORSY)
Abstract Direct hydroxylation via the functionalization of tertiary benzylic C(sp3)-H bond is of great significance for obtaining tertiary alcohols which find wide applications in pharmaceuticals as well as in fine chemical industries. However, current synthetic procedures use toxic reagents and therefore, the development of a sustainable strategy for the synthesis of tertiary benzyl alcohols is highly desirable. To solve this problem, herein, we report a metal-free

heterogeneous photocatalyst to synthesize the hydroxylated products using oxygen as the key reagent. Various benzylic substrates were employed into our mild reaction conditions to afford the desirable products in good to excellent yields. More importantly, gram-scale reaction was achieved via harvesting direct solar energy and exhibited high quantity of the product. The high stability of the catalyst was proved via recycling the catalyst and spectroscopic analyses. Finally, a possible mechanism was proposed based on the EPR and other experimental

evidence.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000736518000001 Publication Date 2022-01-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2168-0485 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.4 Times cited 24 Open Access OpenAccess
Notes We thank BOF joint PhD grant (to Y. Z.), Francqui Foundation and FWO research grant (to S.D.), Chinese Scholarship Council (to Y.Z.). A.S. would like to thank the Swedish Energy Agency for financial support (project nr: 5050-1). The SEM microscope was partly funded by the Hercules Fund from the Flemish Government. Approved Most recent IF: 8.4
Call Number EMAT @ emat @c:irua:184744 Serial 6900
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Author Nematollahi, P.; Barbiellini, B.; Bansil, A.; Lamoen, D.; Qingying, J.; Mukerjee, S.; Neyts, E.C.
Title Identification of a Robust and Durable FeN4CxCatalyst for ORR in PEM Fuel Cells and the Role of the Fifth Ligand Type A1 Journal article
Year 2022 Publication ACS catalysis Abbreviated Journal Acs Catal
Volume Issue Pages 7541-7549
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Although recent studies have advanced the understanding of pyrolyzed

Fe−N−C materials as oxygen reduction reaction (ORR) catalysts, the atomic and

electronic structures of the active sites and their detailed reaction mechanisms still remain unknown. Here, based on first-principles density functional theory (DFT) computations, we discuss the electronic structures of three FeN4 catalytic centers with different local topologies of the surrounding C atoms with a focus on unraveling the mechanism of their ORR activity in acidic electrolytes. Our study brings back a forgotten, synthesized pyridinic Fe−N coordinate to the community’s attention, demonstrating that this catalyst can exhibit excellent activity for promoting direct four-electron ORR through the addition of a fifth ligand such as −NH2, −OH, and −SO4. We also identify sites with good stability properties through the combined use of our DFT calculations and Mössbauer spectroscopy data.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000823193100001 Publication Date 2022-06-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2155-5435 ISBN Additional Links UA library record; WoS full record; WoS full record; WoS citing articles
Impact Factor 12.9 Times cited Open Access OpenAccess
Notes Basic Energy Sciences, DE-FG02-07ER46352 ; Fonds Wetenschappelijk Onderzoek, 1261721N ; Opetus- ja Kulttuuriministeri?; Department of Energy, DE-EE0008416 ; Approved Most recent IF: 12.9
Call Number EMAT @ emat @c:irua:189000 Serial 7073
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Author Cui, Z.; Meng, S.; Yi, Y.; Jafarzadeh, A.; Li, S.; Neyts, E.C.; Hao, Y.; Li, L.; Zhang, X.; Wang, X.; Bogaerts, A.
Title Plasma-catalytic methanol synthesis from CO₂ hydrogenation over a supported Cu cluster catalyst : insights into the reaction mechanism Type A1 Journal article
Year 2022 Publication Acs Catalysis Abbreviated Journal Acs Catal
Volume 12 Issue 2 Pages 1326-1337
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Plasma-catalytic CO, hydrogenation for methanol production is gaining increasing interest, but our understanding of its reaction mechanism remains primitive. We present a combined experimental/computational study on plasma-catalytic CO, hydrogenation to CH3OH over a size-selected Cu/gamma-Al2O3 catalyst. Our experiments demonstrate a synergistic effect between the Cu/gamma-Al2O3 catalyst and the CO2/H-2 plasma, achieving a CO2 conversion of 10% at 4 wt % Cu loading and a CH3OH selectivity near 50% further rising to 65% with H2O addition (for a H2O/CO2 ratio of 1). Furthermore, the energy consumption for CH3OH production was more than 20 times lower than with plasma only. We carried out density functional theory calculations over a Cu-13/gamma-Al2O3 model, which reveal that the interfacial sites of the Cu-13 cluster and gamma-Al2O3 support show a bifunctional effect: they not only activate the CO2 molecules but also strongly adsorb key intermediates to promote their hydrogenation further. Reactive plasma species can regulate the catalyst surface reactions via the Eley-Rideal (E-R) mechanism, which accelerates the hydrogenation process and promotes the generation of the key intermediates. H2O can promote the CH3OH desorption by competitive adsorption over the Cu-13/gamma-Al2O3 surface. This study provides new insights into CO2 hydrogenation through plasma catalysis, and it provides inspiration for the conversion of some other small molecules (CH4, N-2, CO, etc.) by plasma catalysis using supported-metal clusters.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000742735600001 Publication Date 2022-01-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2155-5435 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.9 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 12.9
Call Number UA @ admin @ c:irua:186416 Serial 7192
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Author Yang, S.; Liu, Z.; An, H.; Arnouts, S.; de Ruiter, J.; Rollier, F.; Bals, S.; Altantzis, T.; Figueiredo, M.C.; Filot, I.A.W.; Hensen, E.J.M.; Weckhuysen, B.M.; van der Stam, W.
Title Near-unity electrochemical CO₂ to CO conversion over Sn-doped copper oxide nanoparticles Type A1 Journal article
Year 2022 Publication ACS catalysis Abbreviated Journal Acs Catal
Volume 12 Issue 24 Pages 15146-15156
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
Abstract Bimetallic electrocatalysts have emerged as a viable strategy to tune the electrocatalytic CO2 reduction reaction (eCO2RR) for the selective production of valuable base chemicals and fuels. However, obtaining high product selectivity and catalyst stability remain challenging, which hinders the practical application of eCO2RR. In this work, it was found that a small doping concentration of tin (Sn) in copper oxide (CuO) has profound influence on the catalytic performance, boosting the Faradaic efficiency (FE) up to 98% for carbon monoxide (CO) at -0.75 V versus RHE, with prolonged stable performance (FE > 90%) for up to 15 h. Through a combination of ex situ and in situ characterization techniques, the in situ activation and reaction mechanism of the electrocatalyst at work was elucidated. In situ Raman spectroscopy measurements revealed that the binding energy of the crucial adsorbed *CO intermediate was lowered through Sn doping, thereby favoring gaseous CO desorption. This observation was confirmed by density functional theory, which further indicated that hydrogen adsorption and subsequent hydrogen evolution were hampered on the Sn-doped electrocatalysts, resulting in boosted CO formation. It was found that the pristine electrocatalysts consisted of CuO nanoparticles decorated with SnO2 domains, as characterized by ex situ high-resolution scanning transmission electron microscopy and X-ray photoelectron spectroscopy measurements. These pristine nanoparticles were subsequently in situ converted into a catalytically active bimetallic Sn-doped Cu phase. Our work sheds light on the intimate relationship between the bimetallic structure and catalytic behavior, resulting in stable and selective oxide-derived Sn-doped Cu electrocatalysts.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000900052400001 Publication Date 2022-11-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2155-5435 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.9 Times cited 16 Open Access OpenAccess
Notes B.M.W., S.Y., M.C.F., E.J.M.H., and W.v.d.S. acknowledge support from the Strategic UU-TU/e Alliance project ?Joint Centre for Chemergy Research?. S.B. acknowledges support from the European Research Council (ERC Consolidator grant #815128 REALNANO) . Z.L. acknowledges financial support of the China Scholarship Council and the Netherlands Organization for Scientific Research for access to computa-tional resources for carrying out the DFT calculations reported in this work. S.A. and T.A. acknowledge funding from theUniversity of Antwerp Research fund (BOF) . The authors also thank Dr. Jochem Wijten and Joris Janssens (Inorganic Chemistry and Catalysis, Utrecht University) for helpful technical support. Sander Deelen (Faculty of Science, Utrecht University) is acknowledged for the design of the in situ XRD cell. Approved Most recent IF: 12.9
Call Number UA @ admin @ c:irua:192742 Serial 7325
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Author Meng, X.; Chen, S.; Peng, H.; Bai, H.; Zhang, S.; Su, X.; Tan, G.; Van Tendeloo, G.; Sun, Z.; Zhang, Q.; Tang, X.; Wu, J.
Title Ferroelectric engineering : enhanced thermoelectric performance by local structural heterogeneity Type A1 Journal article
Year 2022 Publication Science China : materials Abbreviated Journal Sci China Mater
Volume Issue Pages
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Although traditional ferroelectric materials are usually dielectric and nonconductive, GeTe is a typical ferroelectric semiconductor, possessing both ferroelectric and semiconducting properties. GeTe is also a widely studied thermoelectric material, whose performance has been optimized by doping with various elements. However, the impact of the ferroelectric domains on the thermoelectric properties remains unclear due to the difficulty to directly observe the ferroelectric domains and their evolutions under actual working conditions where the material is exposed to high temperatures and electric currents. Herein, based on in-situ investigations of the ferroelectric domains and domain walls in both pure and Sb-doped GeTe crystals, we have been able to analyze the dynamic evolution of the ferroelectric domains and domain walls, exposed to an electric field and temperature. Local structural heterogeneities and nano-sized ferroelectric domains are generated due to the interplay of the Sb3+ dopant and the Ge-vacancies, leading to the increased number of charged domain walls and a much improved thermoelectric performance. This work reveals the fundamental mechanism of ferroelectric thermoelectrics and provides insights into the decoupling of previously interdependent properties such as thermo-power and electrical conductivity.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000749973500001 Publication Date 2022-02-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2095-8226; 2199-4501 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.1 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 8.1
Call Number UA @ admin @ c:irua:186429 Serial 6959
Permanent link to this record
 

 
Author Chen, J.; Ying, J.; Xiao, Y.; Dong, Y.; Ozoemena, K., I; Lenaerts, S.; Yang, X.
Title Stoichiometry design in hierarchical CoNiFe phosphide for highly efficient water oxidation Type A1 Journal article
Year 2022 Publication Science China : materials Abbreviated Journal Sci China Mater
Volume 65 Issue 10 Pages 2685-2693
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Rational composition design of trimetallic phosphide catalysts is of significant importance for enhanced surface reaction and efficient catalytic performance. Herein, hierarchical CoxNiyFezP with precise control of stoichiometric metallic elements (x:y:z = (1-10):(1-10):1) has been synthesized, and Co1.3Ni0.5Fe0.2P, as the most optimal composition, exhibits remarkable catalytic activity (eta = 320 mV at 10 mA cm(-2)) and long-term stability (ignorable decrease after 10 h continuous test at the current density of 10 mA cm(-2)) toward oxygen evolution reaction (OER). It is found that the surface P in Co1.3Ni0.5Fe0.2P was replaced by 0 under the OER process. The density function theory calculations before and after long-term stability tests suggest the clear increasing of the density of states near the Fermi level of Co1.3Ni0.5Fe0.2P/ Co1.3Ni0.5Fe0.2O, which could enhance the OH- adsorption of our electrocatalysts and the corresponding OER performance.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000805530000001 Publication Date 2022-05-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2095-8226; 2199-4501 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.1 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 8.1
Call Number UA @ admin @ c:irua:189074 Serial 7212
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Author Hendrickx, M.; Paulus, A.; Kirsanova, M.A.; Van Bael, M.K.; Abakumov, A.M.; Hardy, A.; Hadermann, J.
Title The influence of synthesis method on the local structure and electrochemical properties of Li-rich/Mn-rich NMC cathode materials for Li-Ion batteries Type A1 Journal article
Year 2022 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
Volume 12 Issue 13 Pages 2269-18
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Electrochemical energy storage plays a vital role in combating global climate change. Nowadays lithium-ion battery technology remains the most prominent technology for rechargeable batteries. A key performance-limiting factor of lithium-ion batteries is the active material of the positive electrode (cathode). Lithium- and manganese-rich nickel manganese cobalt oxide (LMR-NMC) cathode materials for Li-ion batteries are extensively investigated due to their high specific discharge capacities (>280 mAh/g). However, these materials are prone to severe capacity and voltage fade, which deteriorates the electrochemical performance. Capacity and voltage fade are strongly correlated with the particle morphology and nano- and microstructure of LMR-NMCs. By selecting an adequate synthesis strategy, the particle morphology and structure can be controlled, as such steering the electrochemical properties. In this manuscript we comparatively assessed the morphology and nanostructure of LMR-NMC (Li1.2Ni0.13Mn0.54Co0.13O2) prepared via an environmentally friendly aqueous solution-gel and co-precipitation route, respectively. The solution-gel (SG) synthesized material shows a Ni-enriched spinel-type surface layer at the {200} facets, which, based on our post-mortem high-angle annual dark-field scanning transmission electron microscopy and selected-area electron diffraction analysis, could partly explain the retarded voltage fade compared to the co-precipitation (CP) synthesized material. In addition, deviations in voltage fade and capacity fade (the latter being larger for the SG material) could also be correlated with the different particle morphology obtained for both materials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000824547500001 Publication Date 2022-07-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2079-4991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.3 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 5.3
Call Number UA @ admin @ c:irua:189591 Serial 7098
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Author Shaw, P.; Vanraes, P.; Kumar, N.; Bogaerts, A.
Title Possible Synergies of Nanomaterial-Assisted Tissue Regeneration in Plasma Medicine: Mechanisms and Safety Concerns Type A1 Journal article
Year 2022 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
Volume 12 Issue 19 Pages 3397
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Cold atmospheric plasma and nanomedicine originally emerged as individual domains, but are increasingly applied in combination with each other. Most research is performed in the context of cancer treatment, with only little focus yet on the possible synergies. Many questions remain on the potential of this promising hybrid technology, particularly regarding regenerative medicine and tissue engineering. In this perspective article, we therefore start from the fundamental mechanisms in the individual technologies, in order to envision possible synergies for wound healing and tissue recovery, as well as research strategies to discover and optimize them. Among these strategies, we demonstrate how cold plasmas and nanomaterials can enhance each other’s strengths and overcome each other’s limitations. The parallels with cancer research, biotechnology and plasma surface modification further serve as inspiration for the envisioned synergies in tissue regeneration. The discovery and optimization of synergies may also be realized based on a profound understanding of the underlying redox- and field-related biological processes. Finally, we emphasize the toxicity concerns in plasma and nanomedicine, which may be partly remediated by their combination, but also partly amplified. A widespread use of standardized protocols and materials is therefore strongly recommended, to ensure both a fast and safe clinical implementation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000866927800001 Publication Date 2022-09-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2079-4991 ISBN Additional Links UA library record; WoS full record
Impact Factor 5.3 Times cited Open Access OpenAccess
Notes This research was funded by the Methusalem Grant of UAntwerp, and the Department of Biotechnology (DBT) Ramalingaswami Re-entry Fellowship (BT/RLF/Re-entry/27/2019), as well as the Science and Engineering Research Board (SERB), Core Research Grant (CRG/2021/001935), Department of Science and Technology, India. Approved Most recent IF: 5.3
Call Number PLASMANT @ plasmant @c:irua:191493 Serial 7108
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Author McNaughton, B.; Pinto, N.; Perali, A.; Milošević, M.V.
Title Causes and consequences of ordering and dynamic phases of confined vortex rows in superconducting nanostripes Type A1 Journal article
Year 2022 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
Volume 12 Issue 22 Pages 4043-18
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Understanding the behaviour of vortices under nanoscale confinement in superconducting circuits is important for the development of superconducting electronics and quantum technologies. Using numerical simulations based on the Ginzburg-Landau theory for non-homogeneous superconductivity in the presence of magnetic fields, we detail how lateral confinement organises vortices in a long superconducting nanostripe, presenting a phase diagram of vortex configurations as a function of the stripe width and magnetic field. We discuss why the average vortex density is reduced and reveal that confinement influences vortex dynamics in the dissipative regime under sourced electrical current, mapping out transitions between asynchronous and synchronous vortex rows crossing the nanostripe as the current is varied. Synchronous crossings are of particular interest, since they cause single-mode modulations in the voltage drop along the stripe in a high (typically GHz to THz) frequency range.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000887683200001 Publication Date 2022-11-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2079-4991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.3 Times cited 2 Open Access OpenAccess
Notes Approved Most recent IF: 5.3
Call Number UA @ admin @ c:irua:192731 Serial 7286
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Author Volders, J.; Elen, K.; Raes, A.; Ninakanti, R.; Kelchtermans, A.-S.; Sastre, F.; Hardy, A.; Cool, P.; Verbruggen, S.W.; Buskens, P.; Van Bael, M.K.
Title Sunlight-powered reverse water gas shift reaction catalysed by plasmonic Au/TiO₂ nanocatalysts : effects of Au particle size on the activity and selectivity Type A1 Journal article
Year 2022 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
Volume 12 Issue 23 Pages 4153-13
Keywords A1 Journal article; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA); Sustainable Energy, Air and Water Technology (DuEL)
Abstract This study reports the low temperature and low pressure conversion (up to 160 °C, p = 3.5 bar) of CO2 and H2 to CO using plasmonic Au/TiO2 nanocatalysts and mildly concentrated artificial sunlight as the sole energy source (up to 13.9 kW·m-2 = 13.9 suns). To distinguish between photothermal and non-thermal contributors, we investigated the impact of the Au nanoparticle size and light intensity on the activity and selectivity of the catalyst. A comparative study between P25 TiO2-supported Au nanocatalysts of a size of 6 nm and 16 nm displayed a 15 times higher activity for the smaller particles, which can only partially be attributed to the higher Au surface area. Other factors that may play a role are e.g., the electronic contact between Au and TiO2 and the ratio between plasmonic absorption and scattering. Both catalysts displayed ≥84% selectivity for CO (side product is CH4). Furthermore, we demonstrated that the catalytic activity of Au/TiO2 increases exponentially with increasing light intensity, which indicated the presence of a photothermal contributor. In dark, however, both Au/TiO2 catalysts solely produced CH4 at the same catalyst bed temperature (160 °C). We propose that the difference in selectivity is caused by the promotion of CO desorption through charge transfer of plasmon generated charges (as a non-thermal contributor).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000896093900001 Publication Date 2022-11-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2079-4991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.3 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 5.3
Call Number UA @ admin @ c:irua:191843 Serial 7341
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Author De Backer, J.; Maric, D.; Zuhra, K.; Bogaerts, A.; Szabo, C.; Vanden Berghe, W.; Hoogewijs, D.
Title Cytoglobin Silencing Promotes Melanoma Malignancy but Sensitizes for Ferroptosis and Pyroptosis Therapy Response Type A1 Journal article
Year 2022 Publication Antioxidants Abbreviated Journal Antioxidants
Volume 11 Issue 8 Pages 1548
Keywords A1 Journal article; Pharmacology. Therapy; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Proteinscience, proteomics and epigenetic signaling (PPES)
Abstract Despite recent advances in melanoma treatment, there are still patients that either do not respond or develop resistance. This unresponsiveness and/or acquired resistance to therapy could be explained by the fact that some melanoma cells reside in a dedifferentiated state. Interestingly, this dedifferentiated state is associated with greater sensitivity to ferroptosis, a lipid peroxidation-reliant, iron-dependent form of cell death. Cytoglobin (CYGB) is an iron hexacoordinated globin that is highly enriched in melanocytes and frequently downregulated during melanomagenesis. In this study, we investigated the potential effect of CYGB on the cellular sensitivity towards (1S, 3R)-RAS-selective lethal small molecule (RSL3)-mediated ferroptosis in the G361 melanoma cells with abundant endogenous expression. Our findings show that an increased basal ROS level and higher degree of lipid peroxidation upon RSL3 treatment contribute to the increased sensitivity of CYGB knockdown G361 cells to ferroptosis. Furthermore, transcriptome analysis demonstrates the enrichment of multiple cancer malignancy pathways upon CYGB knockdown, supporting a tumor-suppressive role for CYGB. Remarkably, CYGB knockdown also triggers activation of the NOD-, LRR- and pyrin domain-containing protein 3 (NLRP3) inflammasome and subsequent induction of pyroptosis target genes. Altogether, we show that silencing of CYGB expression modulates cancer therapy sensitivity via regulation of ferroptosis and pyroptosis cell death signaling pathways.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000846411000001 Publication Date 2022-08-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2076-3921 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 7
Call Number PLASMANT @ plasmant @c:irua:190686 Serial 7102
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Author Li, Y.; Quinn, B.K.; Gielis, J.; Li, Y.; Shi, P.
Title Evidence that supertriangles exist in nature from the vertical projections of Koelreuteria paniculata fruit Type A1 Journal article
Year 2022 Publication Symmetry Abbreviated Journal Symmetry-Basel
Volume 14 Issue 1 Pages 23
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Many natural radial symmetrical shapes (e.g., sea stars) follow the Gielis equation (GE) or its twin equation (TGE). A supertriangle (three triangles arranged around a central polygon) represents such a shape, but no study has tested whether natural shapes can be represented as/are supertriangles or whether the GE or TGE can describe their shape. We collected 100 pieces of Koelreuteria paniculata fruit, which have a supertriangular shape, extracted the boundary coordinates for their vertical projections, and then fitted them with the GE and TGE. The adjusted root mean square errors (RMSEadj) of the two equations were always less than 0.08, and >70% were less than 0.05. For 57/100 fruit projections, the GE had a lower RMSEadj than the TGE, although overall differences in the goodness of fit were non-significant. However, the TGE produces more symmetrical shapes than the GE as the two parameters controlling the extent of symmetry in it are approximately equal. This work demonstrates that natural supertriangles exist, validates the use of the GE and TGE to model their shapes, and suggests that different complex radially symmetrical shapes can be generated by the same equation, implying that different types of biological symmetry may result from the same biophysical mechanisms.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000746030100001 Publication Date 2021-12-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2073-8994 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.7
Call Number UA @ admin @ c:irua:186453 Serial 7158
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Author Wang, L.; Ratkowsky, D.A.; Gielis, J.; Ricci, P.E.; Shi, P.
Title Effects of the numerical values of the parameters in the Gielis equation on its geometries Type A1 Journal article
Year 2022 Publication Symmetry Abbreviated Journal Symmetry-Basel
Volume 14 Issue 12 Pages 2475-12
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The Lamé curve is an extension of an ellipse, the latter being a special case. Dr. Johan Gielis further extended the Lamé curve in the polar coordinate system by introducing additional parameters (n1, n2, n3; m): rφ=1Acosm4φn2+1Bsinm4φn3−1/n1, which can be applied to model natural geometries. Here, r is the polar radius corresponding to the polar angle φ; A, B, n1, n2 and n3 are parameters to be estimated; m is the positive real number that determines the number of angles of the Gielis curve. Most prior studies on the Gielis equation focused mainly on its applications. However, the Gielis equation can also generate a large number of shapes that are rotationally symmetric and axisymmetric when A = B and n2 = n3, interrelated with the parameter m, with the parameters n1 and n2 determining the shapes of the curves. In this paper, we prove the relationship between m and the rotational symmetry and axial symmetry of the Gielis curve from a theoretical point of view with the condition A = B, n2 = n3. We also set n1 and n2 to take negative real numbers rather than only taking positive real numbers, then classify the curves based on extremal properties of r(φ) at φ = 0, π/m when n1 and n2 are in different intervals, and analyze how n1, n2 precisely affect the shapes of Gielis curves.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000904525700001 Publication Date 2022-11-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2073-8994 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.7
Call Number UA @ admin @ c:irua:191860 Serial 7301
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Author Lamonier, J.-F.; Bogaerts, A.
Title Feature Papers to Celebrate “Environmental Catalysis”—Trends & Outlook Type Editorial
Year 2022 Publication Catalysts Abbreviated Journal Catalysts
Volume 12 Issue 7 Pages 720
Keywords Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract This Special Issue collects three reviews, eight articles, and two communications related to the design of catalysts for environmental applications, such as the transformation of several pollutants into harmless or valuable products [...]
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000831734700001 Publication Date 2022-06-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2073-4344 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.9 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.9
Call Number PLASMANT @ plasmant @c:irua:189202 Serial 7074
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Author Tessema, G.A.; van der Borg, J.; Van Rompaey, A.; Van Passel, S.; Adgo, E.; Minale, A.S.; Asrese, K.; Frankl, A.; Poesen, J.
Title Benefit segmentation of tourists to geosites and its implications for sustainable development of geotourism in the Southern Lake Tana Region, Ethiopia Type A1 Journal article
Year 2022 Publication Sustainability Abbreviated Journal Sustainability-Basel
Volume 14 Issue 6 Pages 3411-3425
Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Abstract Geotourism is a sustainable type of tourism that focuses on the geological and geomorphological heritages of an area, and the associated cultural and biodiversity features. Though the popularity of geotourism is rapidly growing, research on the demand side, particularly on segmenting tourists to geosites and understanding their profiles, is limited. This obviously makes the designing of effective tourism policies that aim at developing geotourism sustainably very difficult. Hence, the main objectives of this study were to segment and profile tourists to geosites based on the benefits sought, and to show its implications for sustainable development of geotourism. With a survey of 415 tourists, this study clustered tourists to geosites in the southern Lake Tana region in Ethiopia based on the benefits sought. A factor-cluster method was applied to segment the tourists. The study identified four distinct segments: Activity-Nature Lovers, Culture Lovers, Nature-Culture Lovers, and Want-It-Alls. These segments differed in their demographic, trip, and behavioral characteristics. The findings implied that for sustainable development, destination managers and marketers need to customize their geotourism product development and marketing strategies based on the needs and characteristics of each market segment.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000774527600001 Publication Date 2022-03-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2071-1050 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.9 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.9
Call Number UA @ admin @ c:irua:188043 Serial 7353
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Author Dehhaghi, S.; Choobchian, S.; Ghobadian, B.; Farhadian, H.; Viira, A.-H.; Stefanie, H.I.; Van Passel, S.; Azadi, H.
Title Five-year development plans of renewable energy policies in Iran : a content analysis Type A1 Journal article
Year 2022 Publication Sustainability Abbreviated Journal Sustainability-Basel
Volume 14 Issue 3 Pages 1501
Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Abstract Renewable energy (RE) policies can play an effective role in the development of renewable resources. The main goal of this paper was to conduct a content analysis on RE development policies in Iran's five-year National Development Plan (NDP) by investigating upstream national documents. To achieve the goal, 29 upstream documents related to RE were identified and analyzed through a systematic literature review. Then, a qualitative content analysis was applied to analyze the documents. The results showed that Iran's current RE policies need to be reviewed, reformed, and strengthened. For example, lack of sufficient attention to renewable heat and fuel was one of the deficiencies of RE policies in Iran's five-year NDP. The decentralization of policymaking in the unified organization was also one of the weaknesses in the policymaking process of the RE. Iran can develop sustainable and clean RE policies by using sources such as solar, wind, geothermal, hydropower, wave, and tidal power. The paper concludes that, although RE policies have the potential for development in Iran due to environmental, social, and economic advantages, they could face some infrastructural, managerial, socio-cultural, and economic challenges. Accordingly, effective and innovative policymaking is required to meet such challenges.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000754912800001 Publication Date 2022-01-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2071-1050 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.9 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.9
Call Number UA @ admin @ c:irua:186501 Serial 7358
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Author De Backer, A.; Van Aert, S.; Faes, C.; Arslan Irmak, E.; Nellist, P.D.; Jones, L.
Title Experimental reconstructions of 3D atomic structures from electron microscopy images using a Bayesian genetic algorithm Type A1 Journal article
Year 2022 Publication N P J Computational Materials Abbreviated Journal npj Comput Mater
Volume 8 Issue 1 Pages 216
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We introduce a Bayesian genetic algorithm for reconstructing atomic models of monotype crystalline nanoparticles from a single projection using Z-contrast imaging. The number of atoms in a projected atomic column obtained from annular dark field scanning transmission electron microscopy images serves as an input for the initial three-dimensional model. The algorithm minimizes the energy of the structure while utilizing a priori information about the finite precision of the atom-counting results and neighbor-mass relations. The results show promising prospects for obtaining reliable reconstructions of beam-sensitive nanoparticles during dynamical processes from images acquired with sufficiently low incident electron doses.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000866500900001 Publication Date 2022-10-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2057-3960 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes This work was supported by the European Research Council (Grant 770887 PICOMETRICS to S.V.A. and Grant 823717 ESTEEM3). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0267.18N, G.0502.18N, G.0346.21N) and a postdoctoral grant to A.D.B. L.J. acknowledges Science Foundation Ireland (SFI – grant number URF/RI/191637), the Royal Society, and the AMBER Centre. The authors acknowledge Aakash Varambhia for his assistance and expertise with the experimental recording and use of characterization facilities within the David Cockayne Centre for Electron Microscopy, Department of Materials, University of Oxford, and in particular the EPSRC (EP/K040375/1 South of England Analytical Electron Microscope).; esteem3reported; esteem3JRA Approved Most recent IF: NA
Call Number EMAT @ emat @c:irua:191398 Serial 7114
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Author Pandey, T.; Peeters, F.M.; Milošević, M.V.
Title Pivotal role of magnetic ordering and strain in lattice thermal conductivity of chromium-trihalide monolayers Type A1 Journal article
Year 2022 Publication 2D materials Abbreviated Journal 2D Mater
Volume 9 Issue 1 Pages 015034
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Understanding the coupling between spin and phonons is critical for controlling the lattice thermal conductivity (kappa ( l )) in magnetic materials, as we demonstrate here for CrX3 (X = Br and I) monolayers. We show that these compounds exhibit large spin-phonon coupling (SPC), dominated by out-of-plane vibrations of Cr atoms, resulting in significantly different phonon dispersions in ferromagnetic (FM) and paramagnetic (PM) phases. Lattice thermal conductivity calculations provide additional evidence for strong SPC, where particularly large kappa ( l ) is found for the FM phase. Most strikingly, PM and FM phases exhibit radically different behavior with tensile strain, where kappa ( l ) increases with strain for the PM phase, and strongly decreases for the FM phase-as we explain through analysis of phonon lifetimes and scattering rates. Taken all together, we uncover the high significance of SPC on the phonon transport in CrX3 monolayers, a result extendable to other 2D magnetic materials, that will be useful in further design of thermal spin devices.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000735170300001 Publication Date 2021-12-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.5 Times cited 2 Open Access Not_Open_Access
Notes Approved Most recent IF: 5.5
Call Number UA @ admin @ c:irua:184642 Serial 7010
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Author Chaves, A.; Covaci, L.; Peeters, F.M.; Milošević, M.V.
Title Topologically protected moiré exciton at a twist-boundary in a van der Waals heterostructure Type A1 Journal article
Year 2022 Publication 2D materials Abbreviated Journal 2D Mater
Volume 9 Issue 2 Pages 025012
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract A twin boundary in one of the layers of a twisted van der Waals heterostructure separates regions with near opposite inter-layer twist angles. In a MoS<sub>2</sub>/WSe<sub>2</sub>bilayer, the regions with<inline-formula><tex-math><?CDATA $Rh^h$?></tex-math><math overflow=“scroll”><msubsup><mi>R</mi><mi>h</mi><mi>h</mi></msubsup></math><inline-graphic href=“tdmac529dieqn1.gif” type=“simple” /></inline-formula>and<inline-formula><tex-math><?CDATA $Rh^X$?></tex-math><math overflow=“scroll”><msubsup><mi>R</mi><mi>h</mi><mi>X</mi></msubsup></math><inline-graphic href=“tdmac529dieqn2.gif” type=“simple” /></inline-formula>stacking registry that defined the sub-lattices of the moiré honeycomb pattern would be mirror-reflected across such a twist boundary. In that case, we demonstrate that topologically protected chiral moiré exciton states are confined at the twist boundary. These are one-dimensional and uni-directional excitons with opposite velocities for excitons composed by electronic states with opposite valley/spin character, enabling intrinsic, guided, and far reaching valley-polarized exciton currents.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000760518100001 Publication Date 2022-04-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.5 Times cited 3 Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek; Conselho Nacional de Desenvolvimento Científico e Tecnológico, PQ ; Approved Most recent IF: 5.5
Call Number CMT @ cmt @c:irua:187124 Serial 7046
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Author Menezes, R.M.; Šabani, D.; Bacaksiz, C.; de Souza Silva, C.C.; Milošević, M.V.
Title Tailoring high-frequency magnonics in monolayer chromium trihalides Type A1 Journal article
Year 2022 Publication 2D materials Abbreviated Journal 2D Mater
Volume 9 Issue 2 Pages 025021
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Monolayer chromium-trihalides, the archetypal two-dimensional (2D) magnetic materials, are readily suggested as a promising platform for high-frequency magnonics. Here we detail the spin-wave properties of monolayer CrBr<sub>3</sub>and CrI<sub>3</sub>, using spin-dynamics simulations parametrized from the first principles. We reveal that spin-wave dispersion can be tuned in a broad range of frequencies by strain, paving the way towards flexo-magnonic applications. We further show that ever-present halide vacancies in these monolayers host sufficiently strong Dzyaloshinskii-Moriya interaction to scatter spin-waves, which promotes design of spin-wave guides by defect engineering. Finally we discuss the spectra of spin-waves propagating across a moiré-periodic modulation of magnetic parameters in a van der Waals heterobilayer, and show that the nanoscale moiré periodicities in such samples are ideal for realization of a magnonic crystal in the terahertz frequency range. Recalling the additional tunability of magnetic 2D materials by electronic gating, our results situate these systems among the front-runners for prospective high-frequency magnonic applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000771735500001 Publication Date 2022-04-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.5 Times cited Open Access OpenAccess
Notes Fundação de Amparo à Ciência e Tecnologia do Estado de Pernambuco; Special Research Funds of the University of Antwerp; Conselho Nacional de Desenvolvimento Científico e Tecnológico; Fonds Wetenschappelijk Onderzoek; Coordenação de Aperfeiçoamento de Pessoal de Nível Superior; Approved Most recent IF: 5.5
Call Number CMT @ cmt @c:irua:187125 Serial 7048
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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 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 (down) 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 Poppe, R.; Vandemeulebroucke, D.; Neder, R.B.; Hadermann, J.
Title Quantitative analysis of diffuse electron scattering in the lithium-ion battery cathode material Li1.2Ni0.13Mn0.54Co0.13O2 Type A1 Journal article
Year 2022 Publication IUCrJ Abbreviated Journal Iucrj
Volume 9 Issue 5 Pages 695-704
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract In contrast to perfectly periodic crystals, materials with short-range order produce diffraction patterns that contain both Bragg reflections and diffuse scattering. To understand the influence of short-range order on material properties, current research focuses increasingly on the analysis of diffuse scattering. This article verifies the possibility to refine the short-range order parameters in submicrometre-sized crystals from diffuse scattering in single-crystal electron diffraction data. The approach was demonstrated on Li<sub>1.2</sub>Ni<sub>0.13</sub>Mn<sub>0.54</sub>Co<sub>0.13</sub>O<sub>2</sub>, which is a state-of-the-art cathode material for lithium-ion batteries. The intensity distribution of the 1D diffuse scattering in the electron diffraction patterns of Li<sub>1.2</sub>Ni<sub>0.13</sub>Mn<sub>0.54</sub>Co<sub>0.13</sub>O<sub>2</sub>depends on the number of stacking faults and twins in the crystal. A model of the disorder in Li<sub>1.2</sub>Ni<sub>0.13</sub>Mn<sub>0.54</sub>Co<sub>0.13</sub>O<sub>2</sub>was developed and both the stacking fault probability and the percentage of the different twins in the crystal were refined using an evolutionary algorithm in<italic>DISCUS</italic>. The approach was applied on reciprocal space sections reconstructed from 3D electron diffraction data since they exhibit less dynamical effects compared with in-zone electron diffraction patterns. A good agreement was achieved between the calculated and the experimental intensity distribution of the diffuse scattering. The short-range order parameters in submicrometre-sized crystals can thus successfully be refined from the diffuse scattering in single-crystal electron diffraction data using an evolutionary algorithm in<italic>DISCUS</italic>.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000852551800018 Publication Date 2022-09-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2052-2525 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.9 Times cited Open Access OpenAccess
Notes The research leading to these results has received funding from the Research Foundation Flanders, G035619N G040116N ; Approved Most recent IF: 3.9
Call Number EMAT @ emat @c:irua:190647 Serial 7105
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