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Author Mary Joy, R.; Pobedinskas, P.; Bourgeois, E.; Chakraborty, T.; Görlitz, J.; Herrmann, D.; Noël, C.; Heupel, J.; Jannis, D.; Gauquelin, N.; D'Haen, J.; Verbeeck, J.; Popov, C.; Houssiau, L.; Becher, C.; Nesládek, M.; Haenen, K.
Title Germanium vacancy centre formation in CVD nanocrystalline diamond using a solid dopant source Type A3 Journal article
Year 2023 Publication (up) Science talks Abbreviated Journal Science Talks
Volume 5 Issue Pages 100157
Keywords A3 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2023-02-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2772-5693 ISBN Additional Links UA library record
Impact Factor Times cited Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number EMAT @ emat @c:irua:196969 Serial 8791
Permanent link to this record
 
 
Author Annys, A.; Jannis, D.; Verbeeck, J.; Annys, A.; Jannis, D.; Verbeeck, J.
Title Deep learning for automated materials characterisation in core-loss electron energy loss spectroscopy Type A1 Journal article
Year 2023 Publication (up) Scientific reports Abbreviated Journal
Volume 13 Issue 1 Pages 13724
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Electron energy loss spectroscopy (EELS) is a well established technique in electron microscopy that yields information on the elemental content of a sample in a very direct manner. One of the persisting limitations of EELS is the requirement for manual identification of core-loss edges and their corresponding elements. This can be especially bothersome in spectrum imaging, where a large amount of spectra are recorded when spatially scanning over a sample area. This paper introduces a synthetic dataset with 736,000 labeled EELS spectra, computed from available generalized oscillator strength tables, that represents 107 K, L, M or N core-loss edges and 80 chemical elements. Generic lifetime broadened peaks are used to mimic the fine structure due to band structure effects present in experimental core-loss edges. The proposed dataset is used to train and evaluate a series of neural network architectures, being a multilayer perceptron, a convolutional neural network, a U-Net, a residual neural network, a vision transformer and a compact convolutional transformer. An ensemble of neural networks is used to further increase performance. The ensemble network is used to demonstrate fully automated elemental mapping in a spectrum image, both by directly mapping the predicted elemental content and by using the predicted content as input for a physical model-based mapping.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001052937600046 Publication Date 2023-08-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record
Impact Factor 4.6 Times cited Open Access OpenAccess
Notes A.A. would like to acknowledge the resources and services used in this work provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government. J.V. acknowledges the IMPRESS project. The IMPRESS project has received funding from the HORIZON EUROPE framework program for research and innovation under grant agreement n. 101094299. Approved Most recent IF: 4.6; 2023 IF: 4.259
Call Number UA @ admin @ c:irua:198647 Serial 8846
Permanent link to this record
 
 
Author Soltan, S.; Macke, S.; Ilse, S.E.; Pennycook, T.; Zhang, Z.L.; Christiani, G.; Benckiser, E.; Schuetz, G.; Goering, E.
Title Ferromagnetic order controlled by the magnetic interface of LaNiO3/La2/3Ca1/3MnO3 superlattices Type A1 Journal article
Year 2023 Publication (up) Scientific reports Abbreviated Journal
Volume 13 Issue 1 Pages 1-9
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Interface engineering in complex oxide superlattices is a growing field, enabling manipulation of the exceptional properties of these materials, and also providing access to new phases and emergent physical phenomena. Here we demonstrate how interfacial interactions can induce a complex charge and spin structure in a bulk paramagnetic material. We investigate a superlattice (SLs) consisting of paramagnetic LaNiO3 (LNO) and highly spin-polarized ferromagnetic La2/3Ca1/3MnO3 (LCMO), grown on SrTiO3 (001) substrate. We observed emerging magnetism in LNO through an exchange bias mechanism at the interfaces in X-ray resonant magnetic reflectivity. We find non-symmetric interface induced magnetization profiles in LNO and LCMO which we relate to a periodic complex charge and spin superstructure. High resolution scanning transmission electron microscopy images reveal that the upper and lower interfaces exhibit no significant structural variations. The different long range magnetic order emerging in LNO layers demonstrates the enormous potential of interfacial reconstruction as a tool for tailored electronic properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000985158100013 Publication Date 2023-03-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.6 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 4.6; 2023 IF: 4.259
Call Number UA @ admin @ c:irua:197426 Serial 8867
Permanent link to this record
 
 
Author Yu, CP.; Vega Ibañez, F.; Béché, A.; Verbeeck, J.
Title Quantum wavefront shaping with a 48-element programmable phase plate for electrons Type A1 Journal Article
Year 2023 Publication (up) SciPost Physics Abbreviated Journal SciPost Phys.
Volume 15 Issue Pages 223
Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT)
Abstract We present a 48-element programmable phase plate for coherent electron waves produced by a combination of photolithography and focused ion beam. This brings the highly successful concept of wavefront shaping from light optics into the realm of electron optics and provides an important new degree of freedom to prepare electron quantum states. The phase plate chip is mounted on an aperture rod placed in the C2 plane of a transmission electron microscope operating in the 100-300 kV range. The phase plate's behavior is characterized by a Gerchberg-Saxton algorithm, showing a phase sensitivity of 0.075 rad/mV at 300 kV, with a phase resolution of approximately 3x10e−3π. In addition, we provide a brief overview of possible use cases and support it with both simulated and experimental results.
Address
Corporate Author Thesis
Publisher SciPost Place of Publication Editor
Language English Wos 001116838500002 Publication Date 2023-12-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2542-4653 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.5 Times cited 1 Open Access
Notes This project is the result of a long-term effort involving many differ- ent sources of funding: JV acknowledges funding from an ERC proof of concept project DLV- 789598 ADAPTEM, as well as a University IOF proof of concept project towards launching the AdaptEM spin-off and the eBEAM project, supported by the European Union’s Horizon 2020 research and innovation program FETPROACT-EIC-07-2020: emerging paradigms and com- munities. This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No 823717 – ESTEEM3 and via The IMPRESS project from the HORIZON EUROPE framework program for research and innovation under grant agreement n. 101094299. FV, JV, and AB acknowledge funding from G042820N ‘Explor- ing adaptive optics in transmission electron microscopy.’ CPY acknowledges funding from a TOP-BOF project from the University of Antwerp. Approved Most recent IF: 5.5; 2023 IF: NA
Call Number EMAT @ emat @c:irua:202037 Serial 8984
Permanent link to this record
 
 
Author Yang, T.; Kong, Y.; Du, Y.; Li, K.; Schryvers, D.
Title Discovery of core-shell quasicrystalline particles Type A1 Journal article
Year 2023 Publication (up) Scripta materialia Abbreviated Journal
Volume 222 Issue Pages 115040-115046
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Submicron-sized quasicrystalline particles were obtained in an Al-Zn-Mg-Cu alloy produced by traditional melting. These particles consist of an Al-Fe-Ni core and a Mg-Cu-Zn shell and were found to be stable and embedded randomly in the Al matrix. The diffraction patterns of these core-shell particles reveal a decagonal core and an icosahedral shell with, respectively, ten- and five-fold axes aligned. High resolution scanning transmission electron microscopy of the Mg-Cu-Zn shell confirms the five-fold symmetry atomic arrangement and the icosahedral structure. It can therefore be concluded that Fe and Ni impurities play an important role in mediating the formation of such an unusual ternary core-shell quasicrystalline particle. These findings provide some novel insights in the formation of quasicrystals in traditional industrial Al alloys.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000864491400005 Publication Date 2022-09-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-6462 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 6; 2023 IF: 3.747
Call Number UA @ admin @ c:irua:191489 Serial 7144
Permanent link to this record
 
 
Author Truta, F.; Drăgan, A.-M.; Tertis, M.; Parrilla, M.; Slosse, A.; Van Durme, F.; De Wael, K.; Cristea, C.
Title Electrochemical rapid detection of methamphetamine from confiscated samples using a graphene-based printed platform Type A1 Journal article
Year 2023 Publication (up) Sensors Abbreviated Journal
Volume 23 Issue 13 Pages 6193-18
Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract Methamphetamine (MAP) is a highly addictive and illegal stimulant drug that has a significant impact on the central nervous system. Its detection in biological and street samples is crucial for various organizations involved in forensic medicine, anti-drug efforts, and clinical diagnosis. In recent years, nanotechnology and nanomaterials have played a significant role in the development of analytical sensors for MAP detection. In this study, a fast, simple, and cost-effective electrochemical sensor is presented that is used for the sensitive detection of MAP in confiscated street samples with a complex matrix. The optimized screen-printed sensor based on a carbon working electrode modified with graphene demonstrated an excellent limit of detection, good sensitivity, and a wide dynamic range (1–500 μM) for the target illicit drug both for standard solutions and real samples (seized samples, tap water, and wastewater samples). It can detect MAP at concentrations as low as 300 nM in real samples. This limit of detection is suitable for the rapid preliminary screening of suspicious samples in customs, ports, airports, and on the street. Furthermore, the sensor exhibits a good recovery rate, indicating its reliability and repeatability. This quality is crucial for ensuring consistent and accurate results during screening processes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001033277900001 Publication Date 2023-07-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1424-8220 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:198181 Serial 8857
Permanent link to this record
 
 
Author Parrilla, M.; Vanhooydonck, A.; Johns, M.; Watts, R.; De Wael, K.
Title 3D-printed microneedle-based potentiometric sensor for pH monitoring in skin interstitial fluid Type A1 Journal article
Year 2023 Publication (up) Sensors and actuators : B : chemical Abbreviated Journal
Volume 378 Issue Pages 133159-10
Keywords A1 Journal article; Engineering sciences. Technology; Internet Data Lab (IDLab); Product development; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract Wearable electrochemical sensors are driven by the user-friendly capability of continuous monitoring of key biomarkers for diagnostic or therapeutic operations. Particularly, microneedle (MN)-based sensors can access the interstitial fluid (ISF) in the dermis layer of skin to carry out on-body transdermal detection of analytes. Interestingly, 3D-printing technology allows for rapid and versatile prototyping reaching micrometer resolution. Herein, for the first time, we explore 3D-printed hollow MN patches (1 mm height x 1 mm base with 0.3 mm hole) which are modified with conductive inks to develop a potentiometric sensor for pH monitoring. First, the piercing capability of 3D-printed MN patches is demonstrated by using the parafilm model and their insertion in porcine skin. Subsequently, the hollow MNs are filled with conductive inks to engineer a set of microelectrodes. Thereafter, the working and reference electrodes are properly modified with polyaniline and polyvinyl butyral, respectively, toward a highly stable potentiometric cell. A full in vitro characterization is performed within a broad range of pH (i.e. pH 4 to pH 9). Besides, the MN sensor is analytically assessed in phantom gel and pierced on porcine skin to evaluate the resilience of the MN sensor. Finally, the MN sensor is pierced on the forearm of a subject and tested for its on-body monitoring capability. Overall, 3D-printed MN-based potentiometric sensing brings a versatile and affordable technology to minimally-invasively monitor key physiological parameters in the body.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000904590500008 Publication Date 2022-12-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-4005 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:192381 Serial 8824
Permanent link to this record
 
 
Author Marchetti, A.; Gori, A.; Ferretti, A.M.; Esteban, D.A.; Bals, S.; Pigliacelli, C.; Metrangolo, P.
Title Templated Out‐of‐Equilibrium Self‐Assembly of Branched Au Nanoshells Type A1 Journal article
Year 2023 Publication (up) Small Abbreviated Journal
Volume Issue Pages 2206712
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Out-of-equilibrium self-assembly of metal nanoparticles (NPs) has been devised using different types of strategies and fuels, but the achievement of finite 3D structures with a controlled morphology through this assembly mode is still rare. Here we used a spherical peptide-gold superstructure (PAuSS) as a template to control the out-of-equilibrium self-assembly of Au NPs, obtaining a transient 3D branched Au-nanoshell (BAuNS) stabilized by sodium dodecyl sulphate (SDS). The BAuNS dismantled upon concentration gradient equilibration over time in the solution, leading to NPs disassembly. Notably, BAuNS assembly and disassembly favoured temporary interparticle plasmonic coupling, leading to a remarkable oscillation of their optical properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000914725800001 Publication Date 2023-01-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1613-6810 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.3 Times cited 1 Open Access OpenAccess
Notes European Research Council, ERC‐2017‐PoC MINIRES 789815 ERC‐2012‐StG_20111012 FOLDHALO 307108 815128 ; Approved Most recent IF: 13.3; 2023 IF: 8.643
Call Number EMAT @ emat @c:irua:194299 Serial 7247
Permanent link to this record
 
 
Author Marchetti, A.; Gori, A.; Ferretti, A.M.; Esteban, D.A.; Bals, S.; Pigliacelli, C.; Metrangolo, P.
Title Templated Out‐of‐Equilibrium Self‐Assembly of Branched Au Nanoshells (Small 12/2023) Type A1 Journal Article
Year 2023 Publication (up) Small Abbreviated Journal Small
Volume 19 Issue 12 Pages
Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Abstract Out-of-equilibrium self-assembly of metal nanoparticles (NPs) has been devised using different

types of strategies and fuels, but the achievement of finite 3D structures with a controlled

morphology through this assembly mode is still rare. Here we used a spherical peptide-gold

superstructure (PAuSS) as a template to control the out-of-equilibrium self-assembly of Au NPs,

obtaining a transient 3D branched Au-nanoshell (BAuNS) stabilized by sodium dodecyl sulphate

(SDS). The BAuNS dismantled upon concentration gradient equilibration over time in the solution,

leading to NPs disassembly. Notably, BAuNS assembly and disassembly favoured temporary

interparticle plasmonic coupling, leading to a remarkable oscillation of their optical properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2023-03-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1613-6810 ISBN Additional Links UA library record
Impact Factor 13.3 Times cited Open Access Not_Open_Access
Notes P.M. is grateful to the European Research Council (ERC) for the Starting Grant ERC-2012- StG_20111012 FOLDHALO (Grant Agreement no. 307108) and the Proof-of-Concept Grant ERC-2017-PoC MINIRES (Grant Agreement no.789815). A. M. and P. M. are thankful to the project Hydrogex funded by Cariplo Foundation (grant no. 2018-1720). D.A.E. and S.B. acknowledges financial support from ERC Consolidator Grant Number 815128 REALNANO and Grant Agreement No. 731019 (EUSMI). Approved Most recent IF: 13.3; 2023 IF: 8.643
Call Number EMAT @ emat @c:irua:200859 Serial 8960
Permanent link to this record
 
 
Author Borah, R.; Ag, K.R.; Minja, A.C.; Verbruggen, S.W.
Title A review on self‐assembly of colloidal nanoparticles into clusters, patterns, and films : emerging synthesis techniques and applications Type A1 Journal article
Year 2023 Publication (up) Small methods Abbreviated Journal
Volume Issue Pages 1-32
Keywords A1 Journal article; Engineering sciences. Technology
Abstract The colloidal synthesis of functional nanoparticles has gained tremendous scientific attention in the last decades. In parallel to these advancements, another rapidly growing area is the self-assembly or self-organization of these colloidal nanoparticles. First, the organization of nanoparticles into ordered structures is important for obtaining functional interfaces that extend or even amplify the intrinsic properties of the constituting nanoparticles at a larger scale. The synthesis of large-scale interfaces using complex or intricately designed nanostructures as building blocks, requires highly controllable self-assembly techniques down to the nanoscale. In certain cases, for example, when dealing with plasmonic nanoparticles, the assembly of the nanoparticles further enhances their properties by coupling phenomena. In other cases, the process of self-assembly itself is useful in the final application such as in sensing and drug delivery, amongst others. In view of the growing importance of this field, this review provides a comprehensive overview of the recent developments in the field of nanoparticle self-assembly and their applications. For clarity, the self-assembled nanostructures are classified into two broad categories: finite clusters/patterns, and infinite films. Different state-of-the-art techniques to obtain these nanostructures are discussed in detail, before discussing the applications where the self-assembly significantly enhances the performance of the process.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000940393200001 Publication Date 2023-03-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2366-9608 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.4 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 12.4; 2023 IF: NA
Call Number UA @ admin @ c:irua:194597 Serial 7336
Permanent link to this record
 
 
Author Gielis, J.; Tavkhelidze, I.; Ricci, P.E.
Title Generalized Möbius-Listing bodies and the heart Type A3 Journal article
Year 2023 Publication (up) Sn – 2247-689x Abbreviated Journal
Volume 13 Issue 2 Pages 58-70
Keywords A3 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Generalized Möbius-Listing surfaces and bodies generalize Möbius bands, and this research was motivated originally by solutions of boundary value problems. Analogous to cutting of the original Möbius band, for this class of surfaces and bodies, results have been obtained when cutting such bodies or surfaces. The results can be applied in a wide range of fields in the natural science, and here we propose how they can serve as a model for the heart and the circulatory system.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos http://rjm-cs.ro/2023v13i2_7.pdf#page=1 Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; http://rjm-cs.ro/2023v13i2_7.pdf#page=1
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:200773 Serial 9043
Permanent link to this record
 
 
Author Li, L.; Nijs, I.; De Boeck, H.; Vinduskova, O.; Reynaert, S.; Donnelly, C.; Zi, L.; Verbruggen, E.
Title Longer dry and wet spells alter the stochasticity of microbial community assembly in grassland soils Type A1 Journal article
Year 2023 Publication (up) Soil biology and biochemistry Abbreviated Journal
Volume 178 Issue Pages 108969-9
Keywords A1 Journal article; ADReM Data Lab (ADReM); Integrated Molecular Plant Physiology Research (IMPRES); Plant and Ecosystems (PLECO) – Ecology in a time of change
Abstract Climate change is increasing the duration of alternating wet and dry spells. These fluctuations affect soil water availability and other soil properties which are crucial drivers of soil microbial communities. While soil microbial communities have a moderate capacity to recover once a drought ceases, the expected alternation of strongly opposing regimes can challenge their capacity to adapt. Here, we set up experimental grassland mesocosms where precipitation frequency was adjusted along a gradient while holding total precipitation constant. The gradient varied the duration of wet and dry spells from 1 to 60 days during a total of 120 days, where we hy-pothesized that especially intermediate durations would increase the importance of stochastic community as-sembly due to frequent alternation of opposing environmental regimes. We examined bacterial and fungal community composition, diversity, co-occurrence patterns and assembly mechanisms across these different precipitation treatments. Our results show that 1) intermediate regimes of wet and dry spells increased the stochasticity of microbial community assembly whereas microbial communities at low and high regimes were subjected to more deterministic assembly, and 2) more persistent precipitation regimes (>6 days duration) reduced the fungal diversity and network connectivity but had little effect on bacterial communities. Collec-tively, these findings indicate that longer alternating wet and dry events lead to a less predictable and connected soil microbial community. This study provides new insight into the likely mechanisms through which precipi-tation persistence alters soil microbial communities and their predictability.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000930582500001 Publication Date 2023-01-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0038-0717 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:195257 Serial 9211
Permanent link to this record
 
 
Author Wittner, N.; Slezsák, J.; Broos, W.; Geerts, J.; Gergely, S.; Vlaeminck, S.E.; Cornet, I.
Title Rapid lignin quantification for fungal wood pretreatment by ATR-FTIR spectroscopy Type A1 Journal article
Year 2023 Publication (up) Spectrochimica acta: part A: molecular and biomolecular spectroscopy Abbreviated Journal
Volume Issue Pages 121912
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Biochemical Wastewater Valorization & Engineering (BioWaVE)
Abstract Lignin determination in lignocellulose with the conventional two-step acid hydrolysis method is highly laborious and time-consuming. However, its quantification is crucial to monitor fungal pretreatment of wood, as the increase of acid-insoluble lignin (AIL) degradation linearly correlates with the achievable enzymatic saccharification yield. Therefore, in this study, a new attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy method was developed to track fungal delignification in an easy and rapid manner. Partial least square regression (PLSR) with cross-validation (CV) was applied to correlate the ATR-FTIR spectra with the AIL content (19.9%–27.1%). After variable selection and normalization, a PLSR model with a high coefficient of determination (
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000985309100010 Publication Date 2022-09-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1386-1425 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.4 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 4.4; 2023 IF: 2.536
Call Number UA @ admin @ c:irua:190328 Serial 7201
Permanent link to this record
 
 
Author Liu, C.(T.); Alvarez-Martin, A.; Keune, K.
Title Exploring benzyl alcohol derivatives and related compounds in the cleaning of oil paintings Type A1 Journal article
Year 2023 Publication (up) Studies in conservation Abbreviated Journal
Volume Issue Pages 1-12
Keywords A1 Journal article; Engineering sciences. Technology; Antwerp X-ray Imaging and Spectroscopy (AXIS)
Abstract This study examines five benzyl alcohol derivatives and three chemically similar compounds and compares them against benzyl alcohol in gelled emulsions for the removal of overpaint during cleaning of oil paintings. Comparative cleaning tests using xanthan gels, Pemulen® TR-2 gels, and neat solvent were made on overpaint on fragments of a seventeenth-century test painting. This approach demonstrated that molecular changes to a benzyl alcohol core resulted in enhanced control during the cleaning process. In some cases a benzyl alcohol derivative enabled selective removal of non-original material, when benzyl alcohol appeared to affect the original paint. Select derivatives were also tested in an area of overpaint on a sixteenth-century oil on panel painting by Jan van Scorel in the Rijksmuseum Collection through modifying the chemical activity of benzyl alcohol. Finally, two GC-MS-based methods were used to monitor benzyl alcohol retention and possible oxidation in paint layers post-treatment.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001027641300001 Publication Date 2023-07-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-3630; 2047-0584 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.8 Times cited Open Access
Notes Approved Most recent IF: 0.8; 2023 IF: 0.578
Call Number UA @ admin @ c:irua:201643 Serial 9034
Permanent link to this record
 
 
Author Menegaldo, B.; Aleccia, D.; Nuyts, G.; Amato, A.; Orsega, E.F.; Moro, G.; Balliana, E.; De Wael, K.; Moretto, L.M.; Beltran, V.
Title Stories of the life of Saint George : materials and techniques from a Barbelli mural painting Type A1 Journal article
Year 2023 Publication (up) Studies in conservation Abbreviated Journal
Volume Issue Pages 1-14
Keywords A1 Journal article; Art; History; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract Gian Giacomo Inchiocchio (1604-1656), better known as Barbelli, was one of the main exponents of Lombard painting of the seventeenth century. A large body of work is attributed to him, encompassing a wide range of drawings, murals, and oil paintings. However, despite his broad production, there are still many open questions regarding his painting techniques and materials. In this paper, a multi-analytical study of the cycle Stories of the life of Saint George that originally decorated the presbytery of the parish church of Casaletto Vaprio (Cremona, Italy) was performed, combining non-invasive techniques with the characterisation of selected micro samples. Results show that Barbelli used a very limited number of inorganic pigments, often mixing them together to create different colours and shades. Remains of caseinate and degradation products (i.e. weddellite and whewellite) related to the strappo intervention were also highlighted. The study helped to decipher the materials and technique of this painting, providing data that can be used as a reference to study his extensive production.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001080139100001 Publication Date 2023-10-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-3630; 2047-0584 ISBN Additional Links UA library record; WoS full record
Impact Factor 0.8 Times cited Open Access
Notes Approved Most recent IF: 0.8; 2023 IF: 0.578
Call Number UA @ admin @ c:irua:200302 Serial 9098
Permanent link to this record
 
 
Author Zaripov, A.A.; Khalilov, U.B.; Ashurov, K.B.
Title Synergism of the initial stage of removal of dielectric materials during electrical erosion processing in electrolytes Type A1 Journal article
Year 2023 Publication (up) Surface engineering and applied electrochemistry Abbreviated Journal
Volume 59 Issue 6 Pages 712-718
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Ceramics and composites, many of whose physicochemical properties significantly exceed similar properties of metals and their alloys, are processed qualitatively mainly by the electroerosion method. Despite the existing works, the mechanism of the initial stage of the removal of materials has not yet been identified. For a comprehensive understanding of the mechanism of the removal of dielectrics, a new model is proposed based on the experimental results obtained on an improved electroerosion installation. It was revealed that the initial stage of the removal of a dielectric material consists of three successive stages that are associated with the synergistic effect on the process of the anionic group of electrolytes, plasma flare, and the cavitation shock. This makes it possible to better understand the mechanism of the removal of composite and ceramic materials, which should contribute to ensuring the machinability of those materials and their wide use in promising technologies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001126070700009 Publication Date 2023-12-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1068-3755; 1934-8002 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:202754 Serial 9102
Permanent link to this record
 
 
Author Cui, Z.; Hao, Y.; Jafarzadeh, A.; Li, S.; Bogaerts, A.; Li, L.
Title The adsorption and decomposition of SF6 over defective and hydroxylated MgO surfaces: A DFT study Type A1 Journal article
Year 2023 Publication (up) Surfaces and interfaces Abbreviated Journal
Volume 36 Issue Pages 102602
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Plasma degradation is one of the most effective methods for the abatement of greenhouse gas sulfur hexafluoride

(SF6). To evaluate the potential of MgO as a catalyst in plasma degradation, we investigate the catalytic properties

of MgO on SF6 adsorption and activation by density functional theory (DFT) where the O-defective and

hydroxylated surfaces are considered as two typical plasma-generated surfaces. Our results show that perfect

MgO (001) and (111) surfaces cannot interact with SF6 and only physical adsorption happens. In case of Odefective

MgO surfaces, the O vacancy is the most stable adsorption site. SF6 undergoes a decomposition to SF5

and F over the O-defective MgO (001) surface and undergoes an elongation of the bottom S-F bond over the Odefective

(111) surface. Besides, SF6 shows a physically adsorption at the stepsite of the MgO (001) surface,

accompanied by small changes in its bond angle and length. Furthermore, SF6 is found to be physically and

chemically adsorbed over 0.5 and 1.0 ML (monolayer) H-covered O-terminated MgO (111) surfaces, respectively.

The SF6 molecule undergoes a self-decomposition on the 1.0 ML hydroxylated surface via a surface bonding

process. This study shows that defective and hydroxylated MgO surfaces have the surface capacities for SF6

activation, which shows that MgO has potential as packing material in SF6 waste treatment in packed-bed

plasmas.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000916285000001 Publication Date 2022-12-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2468-0230 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.2 Times cited Open Access OpenAccess
Notes National Natural Science Foundation of China, 52207155 ; Fonds Wetenschappelijk Onderzoek; Vlaams Supercomputer Centrum; Vlaamse regering; Approved Most recent IF: 6.2; 2023 IF: NA
Call Number PLASMANT @ plasmant @c:irua:194364 Serial 7244
Permanent link to this record
 
 
Author Vladimirova, N.V.; Frolov, A.S.; Sanchez-Barriga, J.; Clark, O.J.; Matsui, F.; Usachov, D.Y.; Muntwiler, M.; Callaert, C.; Hadermann, J.; Neudachina, V.S.; Tamm, M.E.; Yashina, L.V.
Title Occupancy of lattice positions probed by X-ray photoelectron diffraction : a case study of tetradymite topological insulators Type A1 Journal article
Year 2023 Publication (up) Surfaces and interfaces Abbreviated Journal
Volume 36 Issue Pages 102516-10
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Occupancy of different structural positions in a crystal lattice often seems to play a key role in material prop-erties. Several experimental techniques have been developed to uncover this issue, all of them being mostly bulk sensitive. However, many materials including topological insulators (TIs), which are among the most intriguing modern materials, are intended to be used in devices as thin films, for which the sublattice occupancy may differ from the bulk. One of the possible approaches to occupancy analysis is X-ray Photoelectron Diffraction (XPD), a structural method in surface science with chemical sensitivity. We applied this method in a case study of Sb2(Te1-xSex)3 mixed crystals, which belong to prototypical TIs. We used high-angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) as a reference method to verify our analysis. We revealed that the XPD data for vacuum cleaved bulk crystals are in excellent agreement with the reference ones. Also, we demonstrate that the anion occupancy near a naturally formed surface can be rather different from that of the bulk. The present results are relevant for a wide range of compositions where the system remains a topological phase, as we ultimately show by probing the transiently occupied topological surface state above the Fermi level by ultrafast photoemission.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000901694900001 Publication Date 2022-11-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2468-0230 ISBN Additional Links UA library record; WoS full record
Impact Factor 6.2 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 6.2; 2023 IF: NA
Call Number UA @ admin @ c:irua:193502 Serial 7327
Permanent link to this record
 
 
Author Maes, R.R.; Potters, G.; Fransen, E.; Geuens, J.; Van Schaeren, R.; Lenaerts, S.
Title Can we find an optimal fatty acid composition of biodiesel in order to improve oxidation stability? Type A1 Journal article
Year 2023 Publication (up) Sustainability Abbreviated Journal
Volume 15 Issue 13 Pages 10310-10
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Medical Genetics (MEDGEN)
Abstract Air quality currently poses a major risk for human health. Currently, diesel is widely used as fuel and is a significant source of nitrogen oxides (NOx) and particulate matter (PM), both hazardous to human health. A good alternative for mineral diesel is biodiesel, not only for the improvement of hazardous components in the exhaust gases but also because it can be produced in view of a circular economy. Biodiesel consists of a mix of different fatty acid methyl esters, which can react with oxygen. As a consequence, the oxidation stability of biodiesel has to be studied, because the oxidation of biodiesel could affect the performance of the engine due to the wear of injectors and fuel pumps. The oxidation stability could also affect the quality of the exhaust gases due to increases in NOx and PM. The basic question we try to answer in this communication is: 'Can we find an optimal fatty acid composition in order to have a maximal oxidation stability?' In this article, we try to find the optimal fatty acid composition according to the five most common fatty acid methyl esters present in biodiesel in order to reach a maximal oxidation stability. The measurements and statistical analysis show, however, that there is no useful regression model because there are statistically significant two- and three-way interactions among the different fatty acids.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001028597300001 Publication Date 2023-06-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2071-1050 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; 2023 IF: 1.789
Call Number UA @ admin @ c:irua:198241 Serial 8839
Permanent link to this record
 
 
Author Parchomenko, A.; De Smet, S.; Pals, E.; Vanderreydt, I.; Van Opstal, W.
Title The circular economy potential of reversible bonding in smartphones Type A1 Journal article
Year 2023 Publication (up) Sustainable Production and Consumption Abbreviated Journal
Volume 41 Issue Pages 362-378
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The increased use of adhesive bonding in manufacturing is an important barrier to implement circular economy strategies, including repair, refurbishment, and high-quality recycling. The circular economy potential of reversible adhesives that are debondable on demand, however, remains largely unexplored. In this paper we apply an integrated technology-agnostic framework to smartphones to identify and quantify the circular econ-omy potential of reversible bonding. In this framework we combine insights from Life Cycle Assessment, Life Cycle Costing, and Statistical Entropy Analysis. We find that reversible bonding of smartphones can be an enabler for circular strategies and have a considerable positive impact on preserving higher functionality on a product, component, and material level. The major added value of reversible bonding is its potential to replace and update parts, retaining the main environmental hotspot of a smartphone. Firms, however, will not likely switch to this technology, even though bonding and debonding make up only a small fraction of total lifecycle costs. Therefore, policy recommendations include mandatory policies on repairability and public procurement favouring the use of reversible bonding techniques. This would alter incentives in contexts where consumer preferences for lease markets cannot be taken for granted. The evaluation of different debonding scenarios from three distinct per-spectives provides a comprehensive, more reliable, and robust understanding of the trade-offs related to debonding and its potential contribution to the circular economy.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001078407500001 Publication Date 2023-09-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2352-5509 ISBN Additional Links UA library record; WoS full record
Impact Factor 12.1 Times cited Open Access
Notes Approved Most recent IF: 12.1; 2023 IF: NA
Call Number UA @ admin @ c:irua:200307 Serial 9104
Permanent link to this record
 
 
Author Shi, P.; Wang, L.; Quinn, B.K.K.; Gielis, J.
Title A new program to estimate the parameters of Preston's equation, a general formula for describing the egg shape of birds Type A1 Journal article
Year 2023 Publication (up) Symmetry Abbreviated Journal Symmetry-Basel
Volume 15 Issue 1 Pages 231-10
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Preston's equation is a general model describing the egg shape of birds. The parameters of Preston's equation are usually estimated after re-expressing it as the Todd-Smart equation and scaling the egg's actual length to two. This method assumes that the straight line through the two points on an egg's profile separated by the maximum distance (i.e., the longest axis of an egg's profile) is the mid-line. It hypothesizes that the photographed egg's profile is perfectly bilaterally symmetrical, which seldom holds true because of photographic errors and placement errors. The existing parameter estimation method for Preston's equation considers an angle of deviation for the longest axis of an egg's profile from the mid-line, which decreases prediction errors to a certain degree. Nevertheless, this method cannot provide an accurate estimate of the coordinates of the egg's center, and it leads to sub-optimal parameter estimation. Thus, it is better to account for the possible asymmetry between the two sides of an egg's profile along its mid-line when fitting egg-shape data. In this paper, we propose a method based on the optimization algorithm (optimPE) to fit egg-shape data and better estimate the parameters of Preston's equation by automatically searching for the optimal mid-line of an egg's profile and testing its validity using profiles of 59 bird eggs spanning a wide range of existing egg shapes. We further compared this method with the existing one based on multiple linear regression (lmPE). This study demonstrated the ability of the optimPE method to estimate numerical values of the parameters of Preston's equation and provide the theoretical egg length (i.e., the distance between two ends of the mid-line of an egg's profile) and the egg's maximum breadth. This provides a valuable approach for comparing egg shapes among conspecifics or across different species, or even different classes (e.g., birds and reptiles), in future investigations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000927531000001 Publication Date 2023-01-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 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; 2023 IF: 1.457
Call Number UA @ admin @ c:irua:195347 Serial 7279
Permanent link to this record
 
 
Author Gielis, J.
Title Simon Stevin as a central figure in the development of abstract algebra and generic programming Type A1 Journal article
Year 2023 Publication (up) Symmetry : culture and science Abbreviated Journal
Volume 34 Issue 2 Pages 155-168
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Simon Stevin (1548-1620) is mainly known for the decimal system and his Clootkrans proof. His influence is also profound in infinitesimal calculus, mechanics, and even in abstract algebra and today’s conception of polynomials, algorithms, and generic programming. Here we review his influence as assessed in generic programming. According to Dr. Stepanov, one of the most influential researchers in generic programming, Stevin’s work on polynomials can be regarded as the essence of generic programming: an algorithm from one domain can be applied in another similar domain.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001068714100003 Publication Date 2023-07-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0865-4824 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access Not_Open_Access: Available from 08.02.2024
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:198000 Serial 8929
Permanent link to this record
 
 
Author Gielis, J.
Title Fred Van Oystaeyen : Time hybrids: a new generic theory of reality Type Review
Year 2023 Publication (up) Symmetry, Culture and Science Abbreviated Journal
Volume 34 Issue 3 Pages 347-351
Keywords Review; Sustainable Energy, Air and Water Technology (DuEL)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:199538 Serial 8871
Permanent link to this record
 
 
Author Drăgan, A.-M.; Parrilla, M.; Sleegers, N.; Slosse, A.; Van Durme, F.; van Nuijs, A.; Oprean, R.; Cristea, C.; De Wael, K.
Title Investigating the electrochemical profile of methamphetamine to enable fast on-site detection in forensic analysis Type A1 Journal article
Year 2023 Publication (up) Talanta : the international journal of pure and applied analytical chemistry Abbreviated Journal
Volume 255 Issue Pages 124208-124211
Keywords A1 Journal article; Toxicological Centre; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract Methamphetamine (MA) is a synthetic psychoactive drug which is consumed both licitly and illicitly. In some countries it is prescribed for attention-deficit and hyperactivity disorder, and short-term treatment of obesity. More often though, it is abused for its psychostimulant properties. Unfortunately, the spread and abuse of this synthetic drug have increased globally, being reported as the most widely consumed synthetic psychoactive drug in the world in 2019. Attempting to overcome the shortcomings of the currently used on-site methods for MA detection in suspected cargos, the present study explores the potential of electrochemical identification of MA by means of square wave voltammetry on disposable graphite screen-printed electrodes. Hence, the analytical characterization of the method was evaluated under optimal conditions exhibiting a linear range between 50 mu M and 2.5 mM MA, a LOD of 16.7 mu M, a LOQ of 50.0 mu M and a sensitivity of 5.3 mu A mM-1. Interestingly, two zones in the potential window were identified for the detection of MA, depending on its concentration in solution. Furthermore, the oxidative pathway of MA was elucidated employing liquid chromatography – mass spectrometry to understand the change in the electrochemical profile. Thereafter, the selectivity of the method towards MA in mixtures with other drugs of abuse as well as common adulterants/cutting agents was evaluated. Finally, the described method was employed for the analysis of MA in confiscated samples and compared with forensic methods, displaying its potential as a fast and easy-to-use method for on-site analysis.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000925076200001 Publication Date 2023-01-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-9140; 1873-3573 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.1 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 6.1; 2023 IF: 4.162
Call Number UA @ admin @ c:irua:194314 Serial 8890
Permanent link to this record
 
 
Author Teunissen, J.L.; Braeckevelt, T.; Skvortsova, I.; Guo, J.; Pradhan, B.; Debroye, E.; Roeffaers, M.B.J.; Hofkens, J.; Van Aert, S.; Bals, S.; Rogge, S.M.J.; Van Speybroeck, V.
Title Additivity of Atomic Strain Fields as a Tool to Strain-Engineering Phase-Stabilized CsPbI3Perovskites Type A1 Journal Article
Year 2023 Publication (up) The Journal of Physical Chemistry C Abbreviated Journal J. Phys. Chem. C
Volume 127 Issue 48 Pages 23400-23411
Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Abstract CsPbI3 is a promising perovskite material for photovoltaic applications in its photoactive perovskite or black phase. However, the material degrades to a photovoltaically inactive or yellow phase at room temperature. Various mitigation strategies are currently being developed to increase the lifetime of the black phase, many of which rely on inducing strains in the material that hinder the black-to-yellow phase transition. Physical insight into how these strategies exactly induce strain as well as knowledge of the spatial extent over which these strains impact the material is crucial to optimize these approaches but is still lacking. Herein, we combine machine learning potential-based molecular dynamics simulations with our in silico strain engineering approach to accurately quantify strained large-scale atomic structures on a nanosecond time scale. To this end, we first model the strain fields introduced by atomic substitutions as they form the most elementary strain sources. We demonstrate that the magnitude of the induced strain fields decays exponentially with the distance from the strain source, following a decay rate that is largely independent of the specific substitution. Second, we show that the total strain field induced by multiple strain sources can be predicted to an excellent approximation by summing the strain fields of each individual source. Finally, through a case study, we illustrate how this additive character allows us to explain how complex strain fields, induced by spatially extended strain sources, can be predicted by adequately combining the strain fields caused by local strain sources. Hence, the strain additivity proposed here can be adopted to further our insight into the complex strain behavior in perovskites and to design strain from the atomic level onward to enhance their sought-after phase stability.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001116862000001 Publication Date 2023-12-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.7 Times cited Open Access OpenAccess
Notes This work was supported by iBOF-21-085 PERsist (Special Research Fund of Ghent University, KU Leuven Research Fund, and the Research Fund of the University of Antwerp). S.M.J.R., T.B., and B.P. acknowledge financial support from the Research Foundation-Flanders (FWO) through two postdoctoral fellow- ships [grant nos. 12T3522N (S.M.J.R.) and 1275521N (B.P.)] and an SB-FWO fellowship [grant no. 1SC1319 (T.B.)]. E.D., M.B.J.R., and J.H. acknowledge financial support from the Research Foundation-Flanders (FWO, grant nos. G.0B39.15, G.0B49.15, G098319N, S002019N, S004322N, and ZW15_09- GOH6316). J.H. acknowledges support from the Flemish government through long-term structural funding Methusalem (CASAS2, Meth/15/04) and the MPI as an MPI fellow. S.V.A. and S.B. acknowledge financial support from the Research Foundation-Flanders (FWO, grant no. G0A7723N). S.M.J.R. and V.V.S. acknowledge funding from the Research Board of Ghent University (BOF). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation- Flanders (FWO) and the Flemish Government�department EWI.; KU Leuven, iBOF-21-085 PERsist ; Universiteit Antwerpen, iBOF-21-085 PERsist ; Universiteit Gent, iBOF-21-085 PERsist ; Vlaamse regering, CASAS2, Meth/15/04 ; Fonds Wetenschappelijk Onderzoek, G.0B39.15 G098319N G.0B49.15 1SC1319 12T3522N ZW15 09-GOH6316 G0A7723N 1275521N S004322N S002019N ; Approved Most recent IF: 3.7; 2023 IF: 4.536
Call Number EMAT @ emat @c:irua:202124 Serial 8985
Permanent link to this record
 
 
Author Delfino, C.L.; Hao, Y.; Martin, C.; Minoia, A.; Gopi, E.; Mali, K.S.; Van der Auweraer, M.; Geerts, Y.H.; Van Aert, S.; Lazzaroni, R.; De Feyter, S.
Title Conformation-Dependent Monolayer and Bilayer Structures of an Alkylated TTF Derivative Revealed using STM and Molecular Modeling Type A1 Journal Article
Year 2023 Publication (up) The Journal of Physical Chemistry C Abbreviated Journal J. Phys. Chem. C
Volume 127 Issue 47 Pages 23023-23033
Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Abstract In this study, the multi-layer self-assembled molecular network formation of an alkylated tetrathiafulvalene compound is studied at the liquid-solid interface between 1-phenyloctane and graphite. A combined theoretical/experimental approach associating force-field and quantum-chemical calculations with scanning tunnelling microscopy is used to determine the two-dimensional self-assembly beyond the monolayer, but also to further the understanding of the molecular adsorption conformation and its impact on the molecular packing within the assemblies at the monolayer and bilayer level.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001111637100001 Publication Date 2023-11-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.7 Times cited Open Access OpenAccess
Notes Financial support from the Research Foundation-Flanders (FWO G081518N, G0A3220N) and KU Leuven–Internal Funds (C14/19/079) is acknowledged. This work was in part supported by FWO and F. R. S.-FNRS under the Excellence of Science EOS program (project 30489208 and 40007495). C.M. acknowledges the financial support: Grants PID2021-128761OA-C22 and CNS2022-136052 funded by MCIN/AEI/10.13039/501100011033 by the “European Union” and SBPLY/21/180501/000127 funded by JCCM and by the EU through “Fondo Europeo de Desarollo Regional” (FEDER). Research in Mons is also supported by the Belgian National Fund for Scientific Research (FRS-FNRS) within the Consortium des Équipements de Calcul Intensif – CÉCI, under Grant 2.5020.11, and by the Walloon Region (ZENOBE Tier-1 supercomputer, under grant 1117545). Approved Most recent IF: 3.7; 2023 IF: 4.536
Call Number EMAT @ emat @c:irua:201671 Serial 8974
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Author Mazzola, F.; Hassani, H.; Amoroso, D.; Chaluvadi, S.K.; Fujii, J.; Polewczyk, V.; Rajak, P.; Koegler, M.; Ciancio, R.; Partoens, B.; Rossi, G.; Vobornik, I.; Ghosez, P.; Orgiani, P.
Title Unveiling the electronic structure of pseudotetragonal WO₃ thin films Type A1 Journal article
Year 2023 Publication (up) The journal of physical chemistry letters Abbreviated Journal
Volume 14 Issue 32 Pages 7208-7214
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract WO3 isa 5d compound that undergoes severalstructuraltransitions in its bulk form. Its versatility is well-documented,with a wide range of applications, such as flexopiezoelectricity,electrochromism, gating-induced phase transitions, and its abilityto improve the performance of Li-based batteries. The synthesis ofWO(3) thin films holds promise in stabilizing electronicphases for practical applications. However, despite its potential,the electronic structure of this material remains experimentally unexplored.Furthermore, its thermal instability limits its use in certain technologicaldevices. Here, we employ tensile strain to stabilize WO3 thin films, which we call the pseudotetragonal phase, and investigateits electronic structure using a combination of photoelectron spectroscopyand density functional theory calculations. This study reveals theFermiology of the system, notably identifying significant energy splittingsbetween different orbital manifolds arising from atomic distortions.These splittings, along with the system's thermal stability,offer a potential avenue for controlling inter- and intraband scatteringfor electronic applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001044522400001 Publication Date 2023-08-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1948-7185 ISBN Additional Links UA library record; WoS full record
Impact Factor 5.7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 5.7; 2023 IF: 9.353
Call Number UA @ admin @ c:irua:198391 Serial 8951
Permanent link to this record
 
 
Author Tchakoua, T.; Powell, A.D.; Gerrits, N.; Somers, M.F.; Doblhoff-Dier, K.; Busnengo, H.F.; Kroes, G.-J.
Title Simulating highly activated sticking of H₂ on Al(110) : quantum versus quasi-classical dynamics Type A1 Journal article
Year 2023 Publication (up) The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal
Volume 127 Issue 11 Pages 5395-5407
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We evaluate the importance of quantum effects on the sticking of H2 on Al(110) for conditions that are close to those of molecular beam experiments that have been done on this system. Calculations with the quasi-classical trajectory (QCT) method and with quantum dynamics (QD) are performed using a model in which only motion in the six molecular degrees of freedom is allowed. The potential energy surface used has a minimum barrier height close to the value recently obtained with the quantum Monte Carlo method. Monte Carlo averaging over the initial rovibrational states allowed the QD calculations to be done with an order of magnitude smaller computational expense. The sticking probability curve computed with QD is shifted to lower energies relative to the QCT curve by 0.21 to 0.05 kcal/mol, with the highest shift obtained for the lowest incidence energy. Quantum effects are therefore expected to play a small role in calculations that would evaluate the accuracy of electronic structure methods for determining the minimum barrier height to dissociative chemisorption for H2 + Al(110) on the basis of the standard procedure for comparing results of theory with molecular beam experiments.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000971346700001 Publication Date 2023-03-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.7; 2023 IF: 4.536
Call Number UA @ admin @ c:irua:196071 Serial 8525
Permanent link to this record
 
 
Author Kavak, S.; Kadu, A.A.; Claes, N.; Sánchez-Iglesias, A.; Liz-Marzán, L.M.; Batenburg, K.J.; Bals, S.
Title Quantitative 3D Investigation of Nanoparticle Assemblies by Volumetric Segmentation of Electron Tomography Data Sets Type A1 Journal article
Year 2023 Publication (up) The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal
Volume 127 Issue 20 Pages 9725-9734
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Morphological characterization of nanoparticle assemblies and hybrid nanomaterials is critical in determining their structure-property relationships as well as in the development of structures with desired properties. Electron tomography has become a widely utilized technique for the three-dimensional characterization of nanoparticle assemblies. However, the extraction of quantitative morphological parameters from the reconstructed volume can be a complex and labor-intensive task. In this study, we aim to overcome this challenge by automating the volumetric segmentation process applied to three-dimensional reconstructions of nanoparticle assemblies. The key to enabling automated characterization is to assess the performance of different volumetric segmentation methods in accurately extracting predefined quantitative descriptors for morphological characterization. In our methodology, we compare the quantitative descriptors obtained through manual segmentation with those obtained through automated segmentation methods, to evaluate their accuracy and effectiveness. To show generality, our study focuses on the characterization of assemblies of CdSe/CdS quantum dots, gold nanospheres and CdSe/CdS encapsulated in polymeric micelles, and silica-coated gold nanorods decorated with both CdSe/CdS or PbS quantum dots. We use two unsupervised segmentation algorithms: the watershed transform and the spherical Hough transform. Our results demonstrate that the choice of automated segmentation method is crucial for accurately extracting the predefined quantitative descriptors. Specifically, the spherical Hough transform exhibits superior performance in accurately extracting quantitative descriptors, such as particle size and interparticle distance, thereby allowing for an objective, efficient, and reliable volumetric segmentation of complex nanoparticle assemblies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000991752700001 Publication Date 2023-05-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 2 Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, 1181122N ; Horizon 2020 Framework Programme, 861950 ; H2020 European Research Council, 815128 ; Approved Most recent IF: 3.7; 2023 IF: 4.536
Call Number EMAT @ emat @c:irua:196971 Serial 8793
Permanent link to this record
 
 
Author Muys, M.; González Cámara, S.J.; Derese, S.; Spiller, M.; Verliefde, A.; Vlaeminck, S.E.
Title Dissolution rate and growth performance reveal struvite as a sustainable nutrient source to produce a diverse set of microbial protein Type A1 Journal article
Year 2023 Publication (up) The science of the total environment Abbreviated Journal
Volume 866 Issue Pages 161172-161179
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract To provide for the globally increasing demand for proteinaceous food, microbial protein (MP) has the potential to become an alternative food or feed source. Phosphorus (P), on the other hand, is a critical raw material whose global reserves are declining. Growing MP on recovered phosphorus, for instance, struvite obtained from wastewater treatment, is a promising MP production route that could supply protein-rich products while handling P scarcity. The aim of this study was to explore struvite dissolution kinetics in different MP media and characterize MP production with struvite as sole P-source. Different operational parameters, including pH, temperature, contact surface area, and ion concentrations were tested, and struvite dissolution rates were observed between 0.32 and 4.7 g P/L/d and a solubility between 0.23 and 2.22 g P-based struvite/L. Growth rates and protein production of the microalgae Chlorella vulgaris and Limnospira sp. (previously known as Arthrospira sp.), and the purple non‑sulfur bacterium Rhodopseudomonas palustris on struvite were equal to or higher than growth on conventional potassium phosphate. For aerobic heterotrophic bacteria, two slow-growing communities showed decreased growth on struvite, while the growth was increased for a third fast-growing one. Furthermore, MP protein content on struvite was always comparable to the one obtained when grown on standard media. Together with the low content in metals and micropollutants, these results demonstrate that struvite can be directly applied as an effective nutrient source to produce fast-growing MP, without any previous dissolution step. Combining a high purity recovered product with an efficient way of producing protein results in a strong environmental win-win.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000922040000001 Publication Date 2022-12-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0048-9697; 1879-1026 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.8 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 9.8; 2023 IF: 4.9
Call Number UA @ admin @ c:irua:192943 Serial 7297
Permanent link to this record