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	Author	Zhang, H.Y.; Xiao, Y.M.; N. Li, Q.; Ding, L.; Van Duppen, B.; Xu, W.; Peeters, F.M.
	Title	Anisotropic and tunable optical conductivity of a two-dimensional semi-Dirac system in the presence of elliptically polarized radiation			Type	A1 Journal article
	Year	2022	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	105	Issue	11	Pages	115423-115429
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate the effect of ellipticity ratio of the polarized radiation field on optoelectronic properties of a two-dimensional (2D) semi-Dirac (SD) system. The optical conductivity is calculated within the energy balance equation approach derived from the semiclassical Boltzmann equation. We find that there exists the anisotropic optical absorption induced via both the intra-and interband electronic transition channels in the perpendicular xx and yy directions. Furthermore, we examine the effects of the ellipticity ratio, the temperature, the carrier density, and the band-gap parameter on the optical conductivity of the 2D SD system placed in transverse and vertical directions, respectively. It is shown that the ellipticity ratio, temperature, carrier density, and band-gap parameter can play the important roles in tuning the strength, peak position, and shape of the optical conductivity spectrum. The results obtained from this study indicate that the 2D SD system can be a promising anisotropic and tunable optical and optoelectronic material for applications in innovative 2D optical and optoelectronic devices, which are active in the infrared and terahertz bandwidths.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000802810700002	Publication Date	2022-03-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9969; 2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.7	Times cited	3	Open Access	OpenAccess
	Notes				Approved	Most recent IF: 3.7
	Call Number	UA @ admin @ c:irua:188660			Serial	7125
Permanent link to this record



	Author	Berdiyorov, G.R.; Peeters, F.M.; Hamoudi, H.
	Title	Effect of edge groups on the electronic transport properties of tetrapodal diazatriptycene molecule			Type	A1 Journal article
	Year	2022	Publication	Physica. E: Low-dimensional systems and nanostructures	Abbreviated Journal	Physica E
	Volume	141	Issue		Pages	115212-115216
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	We conduct ballistic transport calculations to study the electronic transport properties of diazatriptycene molecule which can be self-assembled on metallic surfaces with uniform coverage and upright orientation of the functional head group. Due to its structural asymmetry, the molecule shows a clear current rectification, where the level of the rectification depends on the nature of the head group. For example, current rectification can be increased by more than a factor of 2 by anchoring the molecules to the electrode by CN functional group or introducing insulating CH2 group between the thiol end group and the adjacent phenyl ring. Our findings show the possibility of creating self-assembled monolayer of DAT molecules with controlled electronic transport properties through functionalization of the head group.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000806548600006	Publication Date	2022-03-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1386-9477	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.3	Times cited	2	Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 3.3
	Call Number	UA @ admin @ c:irua:189041			Serial	7147
Permanent link to this record



	Author	Ding, L.; Sapanathan, T.; Schryvers, D.; Simar, A.; Idrissi, H.
	Title	On the formation of antiphase boundaries in Fe₄Al₁₃ intermetallics during a high temperature treatment			Type	A1 Journal article
	Year	2022	Publication	Scripta materialia	Abbreviated Journal	Scripta Mater
	Volume	215	Issue		Pages	114726-6
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	In this paper, we report atomic scale observations and formation mechanisms of a high-density of antiphase boundaries (APBs) within an ultra-fine-grained Fe4Al13 intermetallic layer at an Al/steel interface after a heat treatment at 596 degrees C. The results reveal that the APBs are formed by nucleation and the glide of partial dislocations with Burgers vector of b/3[010] (b = 12.47 angstrom). The intensive activation of APBs locally transforms the Fe4Al13 structure from the quasicrystal approximant structure to a quasicrystal. Very few stacking faults and nanotwins are observed indicating that the formation of planar defects is mainly driven by this transformation. This new insight on the formation of high density of APBs could possibly lead to an improvement in toughness by increasing the strength/ductility balance of this intermetallic.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000800016600003	Publication Date	2022-04-08
	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
	Call Number	UA @ admin @ c:irua:188644			Serial	7088
Permanent link to this record



	Author	Thiruvottriyur Shanmugam, S.; Trashin, S.; De Wael, K.
	Title	Singlet oxygen-based photoelectrochemical detection of DNA			Type	A1 Journal article
	Year	2022	Publication	Biosensors and bioelectronics	Abbreviated Journal
	Volume	195	Issue		Pages	113652
	Keywords	A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
	Abstract	The current work, designed for the photoelectrochemical detection of DNA, evaluates light-responsive DNA probes carrying molecular photosensitizers generating singlet oxygen (1O2). We take advantage of their chromophore’s ability to produce 1O2 upon photoexcitation and subsequent photocurrent response. Type I, fluorescent and type II photosensitizers were studied using diode lasers at 406 nm blue, 532 nm green and 659 nm red lasers in the presensce and absence of a redox reporter, hydroquinone (HQ). Only type II photosensitizers (producing 1O2) resulted in a noticeable photocurrent in 1–4 nA range upon illumination, in particular, dissolved DNA probes labeled with chlorin e6 and erythrosine were found to give a well-detectable photocurrent response in the presence of HQ. Whereas, Type I photosensitizers and fluorescent chromophores generate negligible photocurrents (<0.15 nA). The analytical performance of the sensing system was evaluated using a magnetic beads-based DNA assay on disposable electrode platforms, with a focus to enhance the sensitivity and robustness of the technique in detecting complementary DNA targets. Amplified photocurrent responses in the range of 70–100 nA were obtained and detection limits of 17 pM and 10 pM were achieved using magnetic beads-captured chlorin e6 and erythrosine labeled DNA probes respectively. The presented novel photoelectrochemical detection can further be optimized and employed in applications for which enzymatic amplification such as polymerase chain reaction (PCR) is not applicable owing to their limitations and as an effective alternative to colorimetric detection when rapid detection of specific nucleic acid targets is required.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000705223300003	Publication Date	2021-09-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0956-5663	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:181796			Serial	8930
Permanent link to this record



	Author	Sentürk, D.G.; De Backer, A.; Friedrich, T.; Van Aert, S.
	Title	Optimal experiment design for element specific atom counting using multiple annular dark field scanning transmission electron microscopy detectors			Type	A1 Journal article
	Year	2022	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	242	Issue		Pages	113626
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	This paper investigates the possible benefits for counting atoms of different chemical nature when analysing multiple 2D scanning transmission electron microscopy (STEM) images resulting from independent annular dark field (ADF) detector regimes. To reach this goal, the principles of statistical detection theory are used to quantify the probability of error when determining the number of atoms in atomic columns consisting of multiple types of elements. In order to apply this theory, atom-counting is formulated as a statistical hypothesis test, where each hypothesis corresponds to a specific number of atoms of each atom type in an atomic column. The probability of error, which is limited by the unavoidable presence of electron counting noise, can then be computed from scattering-cross sections extracted from multiple ADF STEM images. Minimisation of the probability of error as a function of the inner and outer angles of a specified number of independent ADF collection regimes results in optimal experimental designs. Based on simulations of spherical Au@Ag and Au@Pt core–shell nanoparticles, we investigate how the combination of two non-overlapping detector regimes helps to improve the probability of error when unscrambling two types of atoms. In particular, the combination of a narrow low angle ADF detector with a detector formed by the remaining annular collection regime is found to be optimal. The benefit is more significant if the atomic number Z difference becomes larger. In addition, we show the benefit of subdividing the detector regime into three collection areas for heterogeneous nanostructures based on a structure consisting of three types of elements, e.g., a mixture of Au, Ag and Al atoms. Finally, these results are compared with the probability of error resulting when one would ultimately use a pixelated 4D STEM detector and how this could help to further reduce the incident electron dose.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000873778100001	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.2	Times cited		Open Access	OpenAccess
	Notes	This work was supported by the European Research Council (Grant 770887 PICOMETRICS to S. Van Aert and Grant 823717 ESTEEM3). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0346.21N and EOS 30489208) and a postdoctoral grant to A. De Backer. S. Van Aert acknowledges funding from the University of Antwerp Research fund (BOF).; esteem3reported; esteem3jra			Approved	Most recent IF: 2.2
	Call Number	EMAT @ emat @c:irua:190925			Serial	7118
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	Author	Jannis, D.; Velazco, A.; Béché, A.; Verbeeck, J.
	Title	Reducing electron beam damage through alternative STEM scanning strategies, Part II: Attempt towards an empirical model describing the damage process			Type	A1 Journal article
	Year	2022	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume		Issue		Pages	113568
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	In this second part of a series we attempt to construct an empirical model that can mimick all experimental observations made regarding the role of an alternative interleaved scan pattern in STEM imaging on the beam damage in a specific zeolite sample. We make use of a 2D diffusion model that describes the dissipation of the deposited beam energy in the sequence of probe positions that are visited during the scan pattern. The diffusion process allows for the concept of trying to ‘outrun’ the beam damage by carefully tuning the dwell time and distance between consecutively visited probe positions. We add a non linear function to include a threshold effect and evaluate the accumulated damage in each part of the image as a function of scan pattern details. Together, these ingredients are able to describe qualitatively all aspects of the experimental data and provide us with a model that could guide a further optimisation towards even lower beam damage without lowering the applied electron dose. We deliberately remain vague on what is diffusing here which avoids introducing too many sample specific details. This provides hope that the model can be applied also in sample classes that were not yet studied in such great detail by adjusting higher level parameters: a sample dependent diffusion constant and damage threshold.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000832788000003	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.2	Times cited	4	Open Access	OpenAccess
	Notes	D.J., A.V, A.B. and J.V. acknowledge funding from FWO project G093417N (’Compressed sensing enabling low dose imaging in transmission electron microscopy’) and G042920N (’Coincident event detection for advanced spectroscopy in transmission electron microscopy’). This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 823717 ESTEEM3. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. J.V. acknowledges funding from GOA project “Solarpaint” of the University of Antwerp .; esteem3reported; esteem3jra;			Approved	Most recent IF: 2.2
	Call Number	EMAT @ emat @c:irua:188535			Serial	7071
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	Author	Robert, Hl.; Lobato, I.; Lyu, Fj.; Chen, Q.; Van Aert, S.; Van Dyck, D.; Müller-Caspary, K.
	Title	Dynamical diffraction of high-energy electrons investigated by focal series momentum-resolved scanning transmission electron microscopy at atomic resolution			Type	A1 Journal article
	Year	2022	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	233	Issue		Pages	113425
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	We report a study of scattering dynamics in crystals employing momentum-resolved scanning transmission electron microscopy under varying illumination conditions. As we perform successive changes of the probe focus, multiple real-space signals are obtained in dependence of the shape of the incident electron wave. With support from extensive simulations, each signal is shown to be characterised by an optimum focus for which the contrast is maximum and which differs among different signals. For instance, a systematic focus mismatch is found between images formed by high-angle scattering, being sensitive to thickness and chemical composition, and the first moment in diffraction space, being sensitive to electric fields. It follows that a single recording at one specific probe focus is usually insufficient to characterise materials comprehensively. Most importantly, we demonstrate in experiment and simulation that the second moment (
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000734396800009	Publication Date	2021-11-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.2	Times cited		Open Access	OpenAccess
	Notes	We thank Dr. Florian Winkler for valuable discussions and experimental work at the early stages of this study. This work was supported by the Initiative and Network Fund of the Helmholtz Association (Germany) under contracts VH-NG-1317 and ZT-I-0025. This project furthermore received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement No. 770887).			Approved	Most recent IF: 2.2
	Call Number	EMAT @ emat @c:irua:184833			Serial	6898
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	Author	Jannis, D.; Hofer, C.; Gao, C.; Xie, X.; Béché, A.; Pennycook, Tj.; Verbeeck, J.
	Title	Event driven 4D STEM acquisition with a Timepix3 detector: Microsecond dwell time and faster scans for high precision and low dose applications			Type	A1 Journal article
	Year	2022	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	233	Issue		Pages	113423
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Four dimensional scanning transmission electron microscopy (4D STEM) records the scattering of electrons in a material in great detail. The benefits offered by 4D STEM are substantial, with the wealth of data it provides facilitating for instance high precision, high electron dose efficiency phase imaging via centre of mass or ptychography based analysis. However the requirement for a 2D image of the scattering to be recorded at each probe position has long placed a severe bottleneck on the speed at which 4D STEM can be performed. Recent advances in camera technology have greatly reduced this bottleneck, with the detection efficiency of direct electron detectors being especially well suited to the technique. However even the fastest frame driven pixelated detectors still significantly limit the scan speed which can be used in 4D STEM, making the resulting data susceptible to drift and hampering its use for low dose beam sensitive applications. Here we report the development of the use of an event driven Timepix3 direct electron camera that allows us to overcome this bottleneck and achieve 4D STEM dwell times down to 100 ns; orders of magnitude faster than what has been possible with frame based readout. We characterize the detector for different acceleration voltages and show that the method is especially well suited for low dose imaging and promises rich datasets without compromising dwell time when compared to conventional STEM imaging.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000734396800003	Publication Date	2021-11-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.2	Times cited	31	Open Access	OpenAccess
	Notes	This project has received funding from the Euro- pean Union’s Horizon 2020 Research Infrastructure – Integrating Activities for Advanced Communities under grant agreement No 823717 – ESTEEM3. J.V. and A.B. acknowledge funding from FWO project G093417N (‘Compressed sensing enabling low dose imaging in transmission electron microscopy’). J.V. and D.J. ac- knowledge funding from FWO project G042920N ‘Co- incident event detection for advanced spectroscopy in transmission electron microscopy’. We acknowledge funding under the European Union’s Horizon 2020 re- search and innovation programme (J.V. and D.J un- der grant agreement No 101017720, FET-Proactive EBEAM, and C.H., C.G., X.X. and T.J.P. from the Eu- ropean Research Council (ERC) Grant agreement No. 802123-HDEM).; esteem3JRA; esteem3reported			Approved	Most recent IF: 2.2
	Call Number	EMAT @ emat @c:irua:183948			Serial	6828
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	Author	Velazco, A.; Béché, A.; Jannis, D.; Verbeeck, J.
	Title	Reducing electron beam damage through alternative STEM scanning strategies, Part I: Experimental findings			Type	A1 Journal article
	Year	2022	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	232	Issue		Pages	113398
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The highly energetic electrons in a transmission electron microscope (TEM) can alter or even completely destroy the structure of samples before sufficient information can be obtained. This is especially problematic in the case of zeolites, organic and biological materials. As this effect depends on both the electron beam and the sample and can involve multiple damage pathways, its study remained difficult and is plagued with irreproducibility issues, circumstantial evidence, rumors, and a general lack of solid data. Here we take on the experimental challenge to investigate the role of the STEM scan pattern on the damage behavior of a commercially available zeolite sample with the clear aim to make our observations as reproducible as possible. We make use of a freely programmable scan engine that gives full control over the tempospatial distribution of the electron probe on the sample and we use its flexibility to obtain multiple repeated experiments under identical conditions comparing the difference in beam damage between a conventional raster scan pattern and a newly proposed interleaved scan pattern that provides exactly the same dose and dose rate and visits exactly the same scan points. We observe a significant difference in beam damage for both patterns with up to 11 % reduction in damage (measured from mass loss). These observations demonstrate without doubt that electron dose, dose rate and acceleration voltage are not the only parameters affecting beam damage in (S)TEM experiments and invite the community to rethink beam damage as an unavoidable consequence of applied electron dose.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000714819200002	Publication Date	2021-10-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.2	Times cited	18	Open Access	OpenAccess
	Notes	A.V., D.J., A.B. and J.V. acknowledge funding from FWO project G093417N (’Compressed sensing enabling low dose imaging in transmission electron microscopy’) and G042920N (’Coincident event detection for advanced spectroscopy in transmission electron microscopy’). This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 823717 ESTEEM3. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. J.V. acknowledges funding from GOA project “Solarpaint” of the University of Antwerp.; JRA; reported			Approved	Most recent IF: 2.2
	Call Number	EMAT @ emat @c:irua:183282			Serial	6818
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	Author	Yu, Y.; Xie, X.; Liu, X.; Li, J.; Peeters, F.M.; Li, L.
	Title	Two-dimensional semimetal states in transition metal trichlorides : a first-principles study			Type	A1 Journal article
	Year	2022	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	121	Issue	11	Pages	112405-112407
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The two-dimensional (2D) transition metal trihalide (TMX3, X = Cl, Br, I) family has attracted considerable attention in recent years due to the realization of CrCl3, CrBr3, and CrI3 monolayers. Up to now, the main focus of the theoretically predicted TMX3 monolayers has been on the Chern insulator states, which can realize the quantum anomalous Hall effect. Here, using first-principles calculations, we theoretically demonstrate that the stable OsCl3 monolayer has a ferromagnetic ground state and a spin-polarized Dirac point without spin-orbit coupling (SOC), which disappears in the band structure of a Janus OsBr1.5Cl1.5 monolayer. We find that OsCl3 exhibits in-plane magnetization when SOC is included. By manipulating the magnetization direction along the C-2 symmetry axis of the OsCl3 structure, a gapless half-Dirac semimetal state with SOC can be achieved, which is different from the gapped Chern insulator state. Both semimetal states of OsCl3 monolayer without and with SOC exhibit a linear half-Dirac point (twofold degenerate) with high Fermi velocities. The achievement of the 2D semimetal state with SOC is expected to be found in other TMX3 monolayers, and we confirm it in a TiCl3 monolayer. This provides a different perspective to study the band structure with SOC of the 2D TMX3 family.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000863219400003	Publication Date	2022-09-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951; 1077-3118	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	4	Times cited	4	Open Access	OpenAccess
	Notes				Approved	Most recent IF: 4
	Call Number	UA @ admin @ c:irua:191541			Serial	7223
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	Author	Bignoli, F.; Rashid, S.; Rossi, E.; Jaddi, S.; Djemia, P.; Terraneo, G.; Li Bassi, A.; Idrissi, H.; Pardoen, T.; Sebastiani, M.; Ghidelli, M.
	Title	Effect of annealing on mechanical properties and thermal stability of ZrCu/O nanocomposite amorphous films synthetized by pulsed laser deposition			Type	A1 Journal article
	Year	2022	Publication	Materials & design	Abbreviated Journal	Mater Design
	Volume	221	Issue		Pages	110972-10
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Binary ZrCu nanocomposite amorphous films are synthetized by pulsed laser deposition (PLD) under vac-uum (2 x 10-3 Pa) and 10 Pa He pressure, leading to fully amorphous compact and nanogranular mor-phologies, respectively. Then, post-thermal annealing treatments are carried out to explore thermal stability and crystallization phenomena together with the evolution of mechanical properties. Compact films exhibit larger thermal stability with partial crystallization phenomena starting at 420 degrees C, still to be completed at 550 degrees C, while nanogranular films exhibit early-stage crystallization at 300 degrees C and com-pleted at 485 degrees C. The microstructural differences are related to a distinct evolution of mechanical
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000886072100004	Publication Date	2022-07-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0264-1275; 1873-4197	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.4	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 8.4
	Call Number	UA @ admin @ c:irua:192194			Serial	7299
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	Author	Oliveira, M.C.; Yusupov, M.; Bogaerts, A.; Cordeiro, R.M.
	Title	Distribution of lipid aldehydes in phase-separated membranes: A molecular dynamics study			Type	A1 Journal article
	Year	2022	Publication	Archives Of Biochemistry And Biophysics	Abbreviated Journal	Arch Biochem Biophys
	Volume	717	Issue		Pages	109136
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	It is well established that lipid aldehydes (LAs) are able to increase the permeability of cell membranes and induce their rupture. However, it is not yet clear how LAs are distributed in phase-separated membranes (PSMs), which are responsible for the transport of selected molecules and intracellular signaling. Thus, we investigate here the distribution of LAs in a PSM by coarse-grained molecular dynamics simulations. Our results reveal that LAs derived from mono-unsaturated lipids tend to accumulate at the interface between the liquid-ordered/liquiddisordered domains, whereas those derived from poly-unsaturated lipids remain in the liquid-disordered domain. These results are important for understanding the effects caused by oxidized lipids in membrane structure, properties and organization.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000767632000001	Publication Date	2022-01-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-9861	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	3.9	Times cited		Open Access	OpenAccess
	Notes	We thank the University of Antwerp and the Coordination of Superior Level Staff Improvement (CAPES, Brazil) for the scholarship granted. The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen.			Approved	Most recent IF: 3.9
	Call Number	PLASMANT @ plasmant @c:irua:185874			Serial	6905
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	Author	Segura, P.C.; De Meur, Q.; Alloul, A.; Tanghe, A.; Onderwater, R.; Vlaeminck, S.E.; Vande Wouwer, A.; Wattiez, R.; Dewasme, L.; Leroy, B.
	Title	Preferential photoassimilation of volatile fatty acids by purple non-sulfur bacteria : experimental kinetics and dynamic modelling			Type	A1 Journal article
	Year	2022	Publication	Biochemical engineering journal	Abbreviated Journal	Biochem Eng J
	Volume	186	Issue		Pages	108547-10
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Purple non-sulfur bacteria (PNSB) are known for their metabolic versatility and thrive as anoxygenic photoheterotrophs. In environmental engineering and resource recovery, cells would grow on mixtures of volatile fatty acids (VFA) generated by anaerobic fermentation of waste streams. In this study, we aim to better understand the behavior of Rhodospirillum rubrum, a model PNSB species, grown using multiple VFA as carbon sources. We highlighted that assimilation of individual VFA follows a sequential pattern. Based on observations in other PNSB, this seems to be specific to isocitrate lyase-lacking organisms. We hypothesized that the inhibition phenomenon could be due to the regulation of the metabolic fluxes in the substrate cycle between acetoacetyl-CoA and crotonyl-CoA. Developed macroscopic dynamic models showed a good predictive capability for substrate competition for every VFA mixture containing acetate, propionate, and/or butyrate. These novel insights provide valuable input for better design and operation of PNSB-based waste treatment solutions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000891992900005	Publication Date	2022-07-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1369-703x; 1873-295x	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	UA @ admin @ c:irua:192741			Serial	7332
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	Author	Deylgat, E.; Chen, E.; Fischetti, M.V.; Sorée, B.; Vandenberghe, W.G.
	Title	Image-force barrier lowering in top- and side-contacted two-dimensional materials			Type	A1 Journal article
	Year	2022	Publication	Solid state electronics	Abbreviated Journal	Solid State Electron
	Volume	198	Issue		Pages	108458-4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We compare the image-force barrier lowering (IFBL) and calculate the resulting contact resistance for four different metal-dielectric-two-dimensional (2D) material configurations. We analyze edge contacts in three different geometries (a homogeneous dielectric throughout, including the 2D layer; a homogeneous dielectric surrounding the 2D layer, both ungated and back gated) and also a top-contact assuming a homogeneous dielectric. The image potential energy of each configuration is determined and added to the Schottky energy barrier which is calculated assuming a textbook Schottky potential. For each configuration, the contact resistivity is calculated using the WKB approximation and the effective mass approximation using either SiO2 or HfO2 as the surrounding dielectric. We obtain the lowest contact resistance of 1 k Omega mu m by n-type doping an edge contacted transition metal-dichalcogenide (TMD) monolayer, sandwiched between SiO2 dielectric, with similar to 1012 cm-2 donor atoms. When this optimal configuration is used, the contact resistance is lowered by a factor of 50 compared to the situation when the IFBL is not considered.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000876289800003	Publication Date	2022-09-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0038-1101	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	1.7	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 1.7
	Call Number	UA @ admin @ c:irua:191556			Serial	7312
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	Author	Neven, L.; Barich, H.; Rutten, R.; De Wael, K.
	Title	Novel (photo)electrochemical analysis of aqueous industrial samples containing phenols			Type	A1 Journal article
	Year	2022	Publication	Microchemical journal	Abbreviated Journal
	Volume	181	Issue		Pages	107778-11
	Keywords	A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
	Abstract	Phenols are considered as toxic pollutants and their discharge into the environment by industries is regulated by a concentration limit. As these limits are in the low mg L−1 to µg L−1-range, sensitive methods are necessary to detect these phenols. Here, aqueous industrial phenolic samples throughout a cleaning process were analyzed by two novel electrochemical sensors. Both the photoelectrochemical (PEC) sensor and the square wave voltammetric (SWV) sensor could successfully follow the decrease of the concentration of phenols along the industrial cleaning process. The discharge sample (μg L−1) could only be analyzed by the PEC sensor and not by the SWV sensor, as the phenolic concentration was close to the LOD of the latter. With HPLC-diode array detector (DAD) measurements, classical phenols such as phenol (PHOH), hydroquinone, resorcinol and o-cresol could be identified in the industrial samples, and their presence could be linked to the electrochemical responses. At last, the performance of the PEC and SWV sensors were compared with commercial colorimetric and chemical oxygen demand (COD) test kits. This comparison demonstrated the high sensitivity of the PEC sensor in the μg L−1 concentrated phenolic samples. Together with the identification of the redox peaks through HPLC-DAD analysis, the SWV sensor can be a powerful tool in the qualitative analysis of mg L−1 concentrated phenolic samples due to its speed, simplicity and absence of laborious sample pre-treatment steps.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000837838400003	Publication Date	2022-07-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0026-265x; 0026-265x	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor		Times cited		Open Access	OpenAccess
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:189428			Serial	8906
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	Author	Schram, J.; Parrilla, M.; Slosse, A.; Van Durme, F.; Åberg, J.; Björk, K.; Bijvoets, S.M.; Sap, S.; Heerschop, M.W.J.; De Wael, K.
	Title	Paraformaldehyde-coated electrochemical sensor for improved on-site detection of amphetamine in street samples			Type	A1 Journal article
	Year	2022	Publication	Microchemical journal	Abbreviated Journal
	Volume	179	Issue		Pages	107518-107519
	Keywords	A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
	Abstract	The increasing illicit production, distribution and abuse of amphetamine (AMP) poses a challenge for law enforcement worldwide. To effectively combat this issue, fast and portable tools for the on-site screening of suspicious samples are required. Electrochemical profile (EP)-based sensing of illicit drugs has proven to be a viable option for this purpose as it allows rapid voltammetric measurements via the use of disposable and low-cost graphite screen-printed electrodes (SPEs). In this work, a highly practical paraformaldehyde (PFA)-coated sensor, which unlocks the detectability of primary amines through derivatization, is developed for the on-site detection of AMP in seized drug samples. A potential interval was defined at the sole AMP peak (which is used for identification of the target analyte) to account for potential shifts due to fluctuations in concentration and temperature, which are relevant factors for on-site use. Importantly, it was found that AMP detection was not hindered by the presence of common diluents and adulterants such as caffeine, even when present in high amounts. When inter-drug differentiation is desired, a simultaneous second test with the same solution on an unmodified electrode is introduced to provide the required additional electrochemical information. Finally, the concept was validated by analyzing 30 seized AMP samples (reaching a sensitivity of 96.7 %) and comparing its performance to that of commercially available Raman and Fourier Transform Infrared (FTIR) devices.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000809675500010	Publication Date	2022-04-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0026-265x; 0026-265x	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:188454			Serial	8910
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	Author	Van Oijstaeijen, W.; Van Passel, S.; Back, P.; Cools, J.
	Title	The politics of green infrastructure : a discrete choice experiment with Flemish local decision-makers			Type	Administrative Services
	Year	2022	Publication	Ecological Economics	Abbreviated Journal	Ecol Econ
	Volume	199	Issue		Pages	107493-18
	Keywords	Administrative Services; A1 Journal article; Economics; Engineering Management (ENM)
	Abstract	Being confronted with increasing and expanding urbanisation and the loss of natural green spaces, our living environment is threatened more and more by the effects of global climate change. Green infrastructure is often thought of as the solution to increase climate resilience and reinforce the quality of the lived environment simultaneously. While the benefits, or ecosystem services, that are generated through green infrastructure have been studied intensively, forces that influence green infrastructure decision-making have been far less subjected to thorough research. In this study a discrete choice experiment was conducted with local decision makers in Flemish municipalities to reveal crucial factors in the decision process applied to green infrastructure projects. Flanders is one of the most densely built regions in Europe, stressing the urgency to understand local spatial decision factors to guarantee green space. 568 decision makers active in the local administration of 235 Flemish municipalities participated in the experiment, set in a hypothetical neighbourhood park. Every choice alternative exists of five attributes: investment cost, maintenance cost, deferred investment, recreational value, and climate impact. We find that barriers hampering Flemish munipalities' GI implementation, differ over size of the municipality: smallers municipalities are more affected by knowledge gaps, while larger municipalities are experiencing prioritization issues. Results from hierarchical Bayes choice models indicate that municipal decisions on green infrastructure are highly – almost solely -cost-driven, rarely consider the full range of benefits, and centre around short-term and immediate arguments. Moreover, interaction models reveal that a municipalities' financial result is a key determinant of its willingness to invest in public greening and consider long term benefits, suggesting that GI is a luxury good. The results expose some of the heuristics in GI decision making and can be used to inform higher authorities on ways to overcome barriers towards informed decision-making and to facilitate GI investment.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000811715200008	Publication Date	2022-06-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-8009; 1873-6106	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 7
	Call Number	UA @ admin @ c:irua:189018			Serial	7371
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	Author	Bjørnåvold, A.; David, M.; Bohan, D.A.; Gibert, C.; Rousselle, J.-M.; Van Passel, S.
	Title	Why does France not meet its pesticide reduction targets? Farmers' socio-economic trade-offs when adopting agro-ecological practices			Type	A1 Journal article
	Year	2022	Publication	Ecological Economics	Abbreviated Journal	Ecol Econ
	Volume	198	Issue		Pages	107440-28
	Keywords	A1 Journal article; Economics; Engineering Management (ENM)
	Abstract	Despite substantial policy efforts made by the French government to reduce dependence on pesticides, farming practices are only changing slowly. This paper analyses the socio-economic trade-offs that 110 farmers are currently facing in the transition to agro-ecological practices. A mixed-method approach – a quantitative discrete choice experiment (DCE) and qualitative interviews – was set up to understand these farmers' motivations and perspectives, and how policy can improve to accompany them on the road to low chemical input farming. Results of the DCE indicate that the majority of the farmers in our sample are keen to change practices but are at a loss as to how this can be done, as a number of preferences for this transition came out as inconclusive. Qualitative interviews with a representative sample of the farmers that took part in the DCE complemented this result by illustrating a deep uncertainty for the future and a disconnect felt between authorities and themselves as a group. We argue that this uncertainty contributed to a lack of clear-cut solutions established through the DCE. The indepth discussions with farmers illustrated the wish for concrete and local policy measures based on farmers' networks and peer support.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000802083900003	Publication Date	2022-05-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-8009; 1873-6106	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	7	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 7
	Call Number	UA @ admin @ c:irua:188764			Serial	7375
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	Author	Gestels, A.; Van der Snickt, G.; Caen, J.; Nuyts, G.; Legrand, S.; Vanmeert, F.; Detry, F.; Janssens, K.; Steenackers, G.
	Title	Combined MA-XRF, MA-XRPD and SEM-EDX analysis of a medieval stained-glass panel formerly from Notre Dame, Paris reveals its material history			Type	A1 Journal article
	Year	2022	Publication	Microchemical journal	Abbreviated Journal	Microchem J
	Volume	177	Issue		Pages	107304
	Keywords	A1 Journal article; Engineering sciences. Technology; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS)
	Abstract	As part of its conservation-restoration, the 13th century stained-glass panel ‘the Annunciation’, was examined at the micro- and macro level. This window, since 1898 in the collection of the Museum Mayer Van den Bergh (Antwerp, B), was formerly a part of the southern Rose window of the Notre Dame Cathedral (Paris, F). The insigths emerging from a first phase of the analysis, comprising non-invasive analysis techniques such as optical microscopy combined with macroscopic X-ray fluorescence (MA-XRF) and X-ray diffraction (MA-XRPD) mapping, were used to select sampling positions for the second phase of investigation that involved micro-invasive analysis, namely scanning-electron microscopy coupled to energy-dispersive X-ray analysis (SEM-EDX). The aim of the investigation was fourfold: (1) to assess the applicability of MA-XRF scanning for the characterisation of stained glass windows prior to any conservation or restoration procedure, (2) to assess the applicability of MA-XRPD scanning to identify the degradation products formed on the surface of stained glass windows, (3) to establish a method to limit the set of sampled glass fragments taken from a glass panel for quantititive analysis while maintaining sufficient representativeness and (4) to distinguish the original glass panes and grisaille paint from non-original glass panes that were inserted during various past interventions. Most of the panes in this window proved to consist of medieval potash glass, consistent with the 13th c. origin of the window while a limited number of panes were identified as non-original infills, with divergent glass compositional types and/or colorants. Most panes derive their color from the pot metal glass (i.e. homogenously colored) they were made of. Some of the panes that originally had a red flashed layer on their surface, completely or partially lost this layer due to weathering. Three main compositional glass families with similar color could be defined. With the exception of the yellow and orange panes, the chromophoric elements responsible for the dark(er) and light(er) blue (Co), green (Cu), purple (Mn) and red colors (Cu) were identified. Two different grisaille paints were encountered, part of which were restored during the 19th century. On the basis of this information, all missing pieces were replaced by glass panes with appropriate colors and the panel could be successfully conserved to its former glory. On the surface of several panes, typical glass degradation products such as calcite, syngenite and gypsum were identified, together with lead based degradation products such as anglesite and palmierite. In addition, the presence of hematite and melanotekite in the grisailles was observed; also the presence of Zn, uncorrelated to Cu, in the grissailes on the right side of the window became apparent.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000850000900001	Publication Date	2022-02-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0026-265x; 0026-265x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.8	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 4.8
	Call Number	UA @ admin @ c:irua:187493			Serial	7138
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	Author	Van Putte, N.; Meire, P.; Seuntjens, P.; Joris, I.; Verreydt, G.; Hambsch, L.; Temmerman, S.
	Title	Solving hindered groundwater dynamics in restored tidal marshes by creek excavation and soil amendments : a model study			Type	A1 Journal article
	Year	2022	Publication	Ecological engineering: the journal of ecotechnology	Abbreviated Journal	Ecol Eng
	Volume	178	Issue		Pages	106583-15
	Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL); Ecosphere
	Abstract	Groundwater fluxes in tidal marshes largely control key ecosystem functions and services, such as vegetation growth, soil carbon sequestration, and nutrient cycling. In tidal marshes restored on formerly embanked agricultural land, groundwater fluxes are often limited as compared to nearby natural marshes, as a result of historical agricultural soil compaction. To improve the functioning of restored tidal marshes, knowledge is needed on how much certain design options can optimize soil-groundwater interactions in future restoration projects. Based on measured data on soil properties and tidally induced groundwater dynamics, we calibrated and evaluated a 2D vertical model of a creek-marsh cross-section, accounting for both saturated and unsaturated groundwater flow and solute transport in a variably saturated groundwater flow model. We found that model simulations of common restoration practices such as soil amendments (increasing the depth of porous soil on top of the compact layer) and creek excavation (increasing the creek density) increase the soil aeration depth and time, the drainage depth and the solute flux, and decrease the residence time of solutes in the porewater. Our simulations indicate that increasing the depth to the compact layer from 20 cm to 40 cm, or increasing the creek density from 1 creek to 2 creeks along a 50 m marsh transect (while maintaining the total creek cross-sectional area), in both cases more than doubles the volume of water processed by the marsh soil. We discuss that this may stimulate nutrient cycling. As such, our study demonstrates that groundwater modelling can support the design of marsh restoration measures aiming to optimize groundwater fluxes and related ecosystem services.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000795478200005	Publication Date	2022-03-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0925-8574	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.8	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 3.8
	Call Number	UA @ admin @ c:irua:186605			Serial	7210
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	Author	Martinez-Villarreal, S.; Breitenstein, A.; Nimmegeers, P.; Perez Saura, P.; Hai, B.; Asomaning, J.; Eslami, A.A.; Billen, P.; Van Passel, S.; Bressler, D.C.; Debecker, D.P.; Remacle, C.; Richel, A.
	Title	Drop-in biofuels production from microalgae to hydrocarbons : microalgal cultivation and harvesting, conversion pathways, economics and prospects for aviation			Type	A1 Journal article
	Year	2022	Publication	Biomass & Bioenergy	Abbreviated Journal	Biomass Bioenerg
	Volume	165	Issue		Pages	106555-22
	Keywords	A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS)
	Abstract	In the last few years, governments all around the world have agreed upon migrating towards carbon-neutral economies as a strategy for restraining the effects of climate change. A major obstacle limiting this achievement is greenhouse gases emissions, for which the aviation sector is a key contributor because of its dependence on fossil fuels. As an alternative, biofuels with similar characteristics to current fossil-fuels and fully compatible with the existing petroleum infrastructure (i.e., drop-in biofuels) are being developed. In this regard, microalgae are a promising feedstock thanks to, among other aspects, their potential for lipid accumulation. This review outlines the development status, opportunities, and challenges of different technologies that are capable of or applicable to transform microalgae into aviation fuels. To this effect, a baseline of the existing jet fuels and the requirements for potential aviation biofuels is initially presented. Then, microalgae production and valorization techniques are discussed with an emphasis on the thermochemical pathways. Finally, an assessment of the present techno-economic feasibility of microalgae-derived aviation fuels is discussed, along with the authors’ point of view on the suitability of these techniques. Further developments are needed to reduce the costs of cultivation and harvesting of microalgae, and a biorefinery approach might improve the economics of the overall process. In addition, while each of the conversion routes described has its advantages and drawbacks, they converge upon the need of optimizing the deoxygenation techniques and the proportion of the suitable type of hydrocarbons that match fuel requirements.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000861095400001	Publication Date	2022-08-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0961-9534	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
	Call Number	UA @ admin @ c:irua:189953			Serial	7354
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	Author	Spiller, M.; Moretti, M.; De Paepe, J.; Vlaeminck, S.E.
	Title	Environmental and economic sustainability of the nitrogen recovery paradigm : evidence from a structured literature review			Type	A1 Journal article
	Year	2022	Publication	Resources, conservation and recycling	Abbreviated Journal	Resour Conserv Recy
	Volume	184	Issue		Pages	106406-106413
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Our economy drives on reactive nitrogen (Nr); while Nr emissions to the environment surpass the planetary boundary. Increasingly, it is advocated to recover Nr contained in waste streams and to reuse it ‘directly’ in the agri-food chain. Alternatively, Nr in waste streams may be removed as N2 and refixed via the Haber-Bosch process in an ‘indirect’ reuse loop. As a systematic sustainability analysis of ‘direct’ Nr reuse and its comparison to the ‘indirect’ reuse loop is lacking, this structured review aimed to analyze literature determining the environmental and economic sustainability of Nr recovery technologies. Bibliometric records were queried from 2000 to 2020 using Boolean search strings, and manual text coding. In total, 63 studies were selected for the review. Results suggest that ‘direct’ Nr reuse using Nr recovery technologies is the preferred paradigm as the majority of studies concluded that it is sustainable or that it can be sustainable depending on technological assumptions and other scenario variables. Only 17 studies compared the ‘direct’ with the ‘indirect’ Nr reuse route, therefore a system perspective in Nr recovery sustainability assessments should be more widely adopted. Furthermore, Nr reuse should also be analyzed in the context of a ‘new Nr economy’ that relies on decentralized Nr production from renewable energy. It is also recommended that on-par technology readiness level comparisons should be carried out, making use of technology development and technology learning methodologies. Finally, by-products of Nr recovery are important to be accounted for as they are reducing the environmental burdens through avoided impacts.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000804938100001	Publication Date	2022-05-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-3449	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.2	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 13.2
	Call Number	UA @ admin @ c:irua:188873			Serial	7156
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	Author	Van Everbroeck, T.; Wu, J.; Arenas-Esteban, D.; Ciocarlan, R.-G.; Mertens, M.; Bals, S.; Dujardin, C.; Granger, P.; Seftel, E.M.; Cool, P.
	Title	ZnAl layered double hydroxide based catalysts (with Cu, Mn, Ti) used as noble metal-free three-way catalysts			Type	A1 Journal article
	Year	2022	Publication	Applied clay science	Abbreviated Journal	Appl Clay Sci
	Volume	217	Issue		Pages	106390
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000795870100004	Publication Date	2022-01-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0169-1317	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.6	Times cited	6	Open Access	OpenAccess
	Notes	The authors acknowledge financial support by theEuropean Union’s Horizon 2020 Project Partial-PGMs (H2020-NMP-686086). R-G C. and P.C. acknowledge the FWO-Flanders (project no. G038215N) for financial support. S⋅B and D.A.E thank the financial support of the European Research Council (ERC-CoG-2019 815128). The authors are grateful to Johnson Matthey, UK, for supplying the commercial benchmark catalysts; realnano; sygmaSB			Approved	Most recent IF: 5.6
	Call Number	EMAT @ emat @c:irua:186956			Serial	6955
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	Author	De Weerdt, L.; De Jaeger, S.; Compernolle, T.; Van Passel, S.
	Title	How an incineration tax changes waste management practices among firms			Type	A1 Journal Article
	Year	2022	Publication	Resources Conservation And Recycling	Abbreviated Journal	Resour Conserv Recy
	Volume	180	Issue		Pages	106172
	Keywords	A1 Journal Article; Engineering Management (ENM) ;
	Abstract	Sustainable management of industrial plastic waste is crucial in the transition to a circular economy. Today, most industrial plastic waste is incinerated, whereas it could be recycled. As a consequence, governments increasingly make use of incineration taxes to improve current waste management practices. This paper presents an econometric panel analysis that studies the effects of an incineration tax on industrial plastic waste in Flanders (Belgium). Not only is this study the first econometric analysis on industrial plastic waste management in which firm heterogeneity is explicitly taken into account by including firm-specific characteristics, but this study also provides policymakers with insights into the effectiveness of an incineration tax to change current waste management practices. Empirical estimates imply that heterogeneous firms generate industrial plastic waste in different ways and that heterogeneous firms reduce their waste generation in different ways after the incineration tax rate increases. The estimates also show that the unique decrease of the incineration tax in 2007, did not change waste management practices. These estimates show that firms do not disinvest or indicate that loss aversion theory, i.e. a preference for avoiding losses over acquiring equivalent gains, might apply to firms that are faced with environmental taxation in a waste management context.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2022-01-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-3449	ISBN		Additional Links
	Impact Factor	13.2	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 13.2
	Call Number	ENM @ enm @			Serial	7256
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	Author	Thomassen, G.; Dewulf, J.; Van Passel, S.
	Title	Prospective material and substance flow analysis of the end-of-life phase of crystalline silicon-based PV modules			Type	A1 Journal article
	Year	2022	Publication	Resources Conservation And Recycling	Abbreviated Journal	Resour Conserv Recy
	Volume	176	Issue		Pages	105917
	Keywords	A1 Journal article; Engineering Management (ENM)
	Abstract	The approaching end-of life phase of early installed PV modules gave rise to a variety of potential end-of-life strategies, ranging from basic generic waste management strategies to advanced case-specific recycling options. However, no comprehensive assessment on the full range of technological possibilities is available and only limited attention was given to the material recovery rates of these different technologies in light of circular economy. In addition, current material recovery rates are indifferent towards the material value and the value of their secondary applications. Based on an extensive literature review, ten end-of-life scenarios with potential learning effects are identified and their material flows are quantified using a combined material and substance flow analysis. Subsequently, material recovery rates from a mass, economic value and embodied energy perspective are calculated, incorporating the differences in secondary applications. The differences in the mass-based recovery rates of the seven end-of-life scenarios that did not have landfill or municipal waste incineration as the main destination were minimal, as 73-79% of the mass was recovered for the best-case learning scenario. For the economic value recovery rate (9-66%) and the embodied energy recovery rate (18-45%), more profound differences were found. The collection rate was identified as most crucial parameter for all end-of-life scenarios, learning scenarios and recycling indicators. The mass-based recovery rate might favor end-of-life scenarios that lead to dissipation of valuable materials in non-functional secondary applications. Additional targets are required to avoid cascading of valuable materials and to avoid the economic cost and environmental burden of virgin materials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000708339400003	Publication Date	2021-10-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-3449	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.2	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 13.2
	Call Number	UA @ admin @ c:irua:182462			Serial	6939
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	Author	Seyedmohammadzadeh, M.; Sevik, C.; Guelseren, O.
	Title	Two-dimensional heterostructures formed by graphenelike ZnO and MgO monolayers for optoelectronic applications			Type	A1 Journal article
	Year	2022	Publication	Physical review materials	Abbreviated Journal
	Volume	6	Issue	10	Pages	104004-104013
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Two-dimensional heterostructures are an emerging class of materials for novel applications because of extensive engineering potential by tailoring intriguing properties of different layers as well as the ones arising from their interface. A systematic investigation of mechanical, electronic, and optical properties of possible heterostructures formed by bilayer structures graphenelike ZnO and MgO monolayers is presented. Different functionality of each layer makes these heterostructures very appealing for device applications. ZnO layer is convenient for electron transport in these structures, while MgO layer improves electron collection. At the outset, all of the four possible stacking configurations across the heterostructure are mechanically stable. In addition, stability analysis using phonon dispersion reveals that the AB stacking formed by placing the Mg atom on top of the O atom of the ZnO layer is also dynamically stable at zero temperature. Henceforth, we have investigated the optical properties of these stable heterostructures by applying many-body perturbation theory within the framework of GW approximation and solving the Bethe-Salpeter equation. It is demonstrated that strong excitonic effects reduce the optical band gap to the visible light spectrum range. These results show that this new two-dimensional form of ZnO/MgO heterostructures open an avenue for novel optoelectronic device applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000877514900005	Publication Date	2022-10-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2475-9953	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.4	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 3.4
	Call Number	UA @ admin @ c:irua:192167			Serial	7346
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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	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	Dobrota, A.S.; Vlahovic, J.; V. Skorodumova, N.; Pasti, I.A.
	Title	First-principles analysis of aluminium interaction with nitrogen-doped graphene nanoribbons – from adatom bonding to various			Type	A1 Journal article
	Year	2022	Publication	Materials Today Communications	Abbreviated Journal
	Volume	31	Issue		Pages	103388-10
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Enhancing aluminium interaction with graphene-based materials is of crucial importance for the development of Al-storage materials and novel functional materials via atomically precise doping. Here, DFT calculations are employed to investigate Al interactions with non-doped and N-doped graphene nanoribbons (GNRs) and address the impact of the edge sites and N-containing defects on the material's reactivity towards Al. The presence of edges does not influence the energetics of Al adsorption significantly (compared to pristine graphene sheet). On the other hand, N-doping of graphene nanoribbons is found to affect the adsorption energy of Al to an extent that strongly depends on the type of N-containing defect. The introduction of edge-NO group and doping with in -plane pyridinic N result in Al adsorption nearly twice as strong as on pristine graphene. Moreover, double n-type doping via N and Al significantly alters the electronic structure of Al,N-containing GNRs. Our results suggest that selectively doped GNRs with pyridinic N can have enhanced Al-storage capacity and could be potentially used for selective Al electrosorption and removal. On the other hand, Al,N-containing GNRs with pyridinic N could also be used in resistive sensors for mechanical deformation. Namely, strain along the longitudinal axis of these dual doped GNRs does not affect the binding of Al but tunes the bandgap and causes more than 700-fold change in the conductivity. Thus, careful defect engineering and selective doping of GNRs with N (and Al) could lead to novel multifunctional materials with exceptional properties. [GRAPHICS]
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000820987400002	Publication Date	2022-03-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2352-4928	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor		Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:189563			Serial	7163
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	Author	Bellizotti Souza, J.C.; Vizarim, N.P.; Reichhardt, C.J.O.; Reichhardt, C.; Venegas, P.A.
	Title	Clogging, diode and collective effects of skyrmions in funnel geometries			Type	A1 Journal article
	Year	2022	Publication	New journal of physics	Abbreviated Journal	New J Phys
	Volume	24	Issue	10	Pages	103030-14
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using a particle-based model, we examine the collective dynamics of skyrmions interacting with a funnel potential under dc driving as the skyrmion density and relative strength of the Magnus and damping terms are varied. For driving in the easy direction, we find that increasing the skyrmion density reduces the average skyrmion velocity due to jamming of skyrmions near the funnel opening, while the Magnus force causes skyrmions to accumulate on one side of the funnel array. For driving in the hard direction, there is a critical skyrmion density below which the skyrmions become trapped. Above this critical value, a clogging effect appears with multiple depinning and repinning states where the skyrmions can rearrange into different clogged configurations, while at higher drives, the velocity-force curves become continuous. When skyrmions pile up near the funnel opening, the effective size of the opening is reduced and the passage of other skyrmions is blocked by the repulsive skyrmion-skyrmion interactions. We observe a strong diode effect in which the critical depinning force is higher and the velocity response is smaller for hard direction driving. As the ratio of Magnus force to dissipative term is varied, the skyrmion velocity varies in a non-linear and non-monotonic way due to the pile up of skyrmions on one side of the funnels. At high Magnus forces, the clogging effect for hard direction driving is diminished.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000873333400001	Publication Date	2022-10-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1367-2630	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.3	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 3.3
	Call Number	UA @ admin @ c:irua:192178			Serial	7287
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	Author	Fitawok, M.B.; Derudder, B.; Minale, A.S.; Van Passel, S.; Adgo, E.; Nyssen, J.
	Title	Analyzing the impact of land expropriation program on farmers' livelihood in urban fringes of Bahir Dar, Ethiopia			Type	A1 Journal article
	Year	2022	Publication	Habitat International	Abbreviated Journal	Habitat Int
	Volume	129	Issue		Pages	102674-102679
	Keywords	A1 Journal article; Sociology; Law; Art; Engineering Management (ENM)
	Abstract	This paper analyzes the impact of urban land-use changes on farmers' livelihood around the city of Bahir Dar (Ethiopia). Rapid urban expansion in and around the city has resulted in massive land-use changes in its urban fringes, with land expropriation programs affecting communities' livelihood and the environment. A survey was conducted in three urbanizing villages near Bahir Dar, focusing on 150 farmers who were land-expropriated and 180 farmers who were non-land-expropriated. Regression models and propensity matching scoring are applied to examine the livelihood differences of farmers in terms of farm income, off-farm income, primary expenditure type, and perception of urban expansion benefits to farmers. The results reveal that land expropriation in the area has led to (a) a shift to off-farm income for land expropriated farmers; (b) an increase in their household expenditure on staple foods compared to other expenditure types, including farm inputs; and (c) diverging perceptions on whether and how city expansion benefits farmers in the neighboring villages. Our findings provide insight into the need for tighter and impactful policy actions to ensure the sustainability of urbanization through accommodating expropriated farmers' livelihood changes and protecting natural resources in the area.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000866411200001	Publication Date	2022-09-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0197-3975; 0361-3690	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.285	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:191385			Serial	7352
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