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Author	van ‘t Veer, K.; Reniers, F.; Bogaerts, A.
Title	Zero-dimensional modeling of unpacked and packed bed dielectric barrier discharges: the role of vibrational kinetics in ammonia synthesis			Type	A1 Journal article
Year	2020	Publication	Plasma Sources Science & Technology	Abbreviated Journal	Plasma Sources Sci T
Volume	29	Issue	4	Pages	045020
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	We present a zero-dimensional plasma kinetics model, including both surface and gas phase kinetics, to determine the role of vibrationally excited states in plasma-catalytic ammonia synthesis. We defined a new method to systematically capture the conditions of dielectric barrier discharges (DBDs), including those found in packed bed DBDs. We included the spatial and temporal nature of such discharges by special consideration of the number of micro-discharges in the model. We introduce a parameter that assigns only a part of the plasma power to the microdischarges, to scale the model conditions from filamentary to uniform plasma. Because of the spatial and temporal behaviour of the micro-discharges, not all micro-discharges occurring in the plasma reactor during a certain gas residence time are affecting the molecules. The fraction of power considered in the model ranges from 0.005 %, for filamentary plasma, to 100 %, for uniform plasma. If vibrational excitation is included in the plasma chemistry, these different conditions, however, yield an ammonia density that is only varying within one order of magnitude. At only 0.05 % of the power put into the uniform plasma component, a model neglecting vibrational excitation clearly does not result in adequate amounts of ammonia. Thus, our new model, which accounts for the concept in which not all the power is deposited by the micro-discharges, but some part may also be distributed in between them, suggests that vibrational kinetic processes are really important in (packed bed) DBDs. Indeed, vibrational excitation takes place in both the uniform plasma between the micro-discharges and in the strong micro-discharges, and is responsible for an increased N2 dissociation rate. This is shown here for plasma-catalytic ammonia synthesis, but might also be valid for other gas conversion applications.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000570241500001	Publication Date	2020-04-09
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1361-6595	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.8	Times cited		Open Access
Notes	This research was supported by the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023). 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. The authors would also like to thank Dr. Fatme Jardali for the discussions on plasma kinetic modelling and Dr. Jungmi Hong and Dr. Anthony B. Murphy for their aid in the calculation of the diffusion coefficients.			Approved	Most recent IF: 3.8; 2020 IF: 3.302
Call Number	PLASMANT @ plasmant @c:irua:168097			Serial	6359
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Author	Zhang, H.; Zhang, H.; Trenchev, G.; Li, X.; Wu, Y.; Bogaerts, A.
Title	Multi-dimensional modelling of a magnetically stabilized gliding arc plasma in argon and CO₂			Type	A1 Journal article
Year	2020	Publication	Plasma Sources Science & Technology	Abbreviated Journal	Plasma Sources Sci T
Volume	29	Issue	4	Pages	045019
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	This study focuses on a magnetically stabilized gliding arc (MGA) plasma. Two fully coupled ﬂow-plasma models (in 3D and 2D) are presented. The 3D model is applied to compare the arc dynamics of the MGA with a traditional gas-driven gliding arc. The 2D model is used for a detailed parametric study on the effect of the external magnetic ﬁeld. The results show that the relative velocity between the plasma and feed gas is generated due to the Lorentz force, which can increase the plasma-treated gas fraction. The magnetic ﬁeld also helps to decrease the gas temperature by enhancing heat transfer and to increase the electron number density. This work shows the potential of an external magnetic ﬁeld to control the gliding arc behavior, for enhanced gas conversion at low gas ﬂow rates.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000570241800001	Publication Date	2020-04-09
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1361-6595	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.8	Times cited		Open Access
Notes	Fonds Wetenschappelijk Onderzoek, G.0383.16N ; National Natural Science Foundation of China, 51706204 51707144 ; State Key Laboratory of Electrical Insulation and Power Equipment, EIPE19302 ; The authors acknowledge ﬁnancial support from the Fund for Scientiﬁc Research—Flanders (FWO; Grant G.0383.16 N), National Natural Science Foundation of China under Grant Nos. 51706204, 51707144, and State Key Laboratory of Electrical Insulation and Power Equipment (EIPE19302). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (Department EWI), and Universiteit Antwerpen. Finally, Hantian Zhang acknowledges ﬁnancial support from the China Scholarship Council.			Approved	Most recent IF: 3.8; 2020 IF: 3.302
Call Number	PLASMANT @ plasmant @c:irua:169218			Serial	6360
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Author	Lumbeeck, G.; Delvaux, A.; Idrissi, H.; Proost, J.; Schryvers, D.
Title	Analysis of internal stress build-up during deposition of nanocrystalline Ni thin films using transmission electron microscopy			Type	A1 Journal article
Year	2020	Publication	Thin solid films : an international journal on the science and technology of thin and thick films	Abbreviated Journal	Thin Solid Films
Volume	707	Issue		Pages	138076
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Ni thin films sputter-deposited at room temperature with varying Ar pressures were investigated with automated crystal orientation mapping in a transmission electron microscope to uncover the mechanisms controlling the internal stress build-up recorded in-situ during deposition. Large grains were found to induce behaviour similar to a stress-free nucleation layer. The measurements of grain size in most of the Ni thin films are in agreement with the island coalescence model. Low internal stress was observed at low Ar pressure and was explained by the presence of large grains. Relaxation of high internal stress was also noticed at the highest Ar pressure, which was attributed to a decrease of Σ3 twin boundary density due to a low deposition rate. The results provide insightful information to better understand the relationship between structural boundaries and the evolution of internal stress upon deposition of thin films.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000539312200011	Publication Date	2020-05-12
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN		ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor		Times cited		Open Access	OpenAccess
Notes	This work was supported by the Hercules Foundation [Grant No. AUHA13009], the Flemish Research Fund (FWO) [Grant No. G.0365.15N], and the Flemish Strategic Initiative for Materials (SIM) under the project InterPoCo. Thin film deposition has been realised as part of the WallonHY project, funded by the Public Service of Wallonia – Department of Energy and Sustainable Building. H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS).			Approved	Most recent IF: NA
Call Number	EMAT @ emat @c:irua:169708			Serial	6370
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Author	Celentano, G.; Rizzo, F.; Augieri, A.; Mancini, A.; Pinto, V.; Rufoloni, A.; Vannozzi, A.; MacManus-Driscoll, J.L.; Feighan, J.; Kursumovic, A.; Meledin, A.; Mayer, J.; Van Tendeloo, G.
Title	YBa₂Cu₃O_7−xfilms with Ba₂Y(Nb,Ta)O₆nanoinclusions for high-field applications			Type	A1 Journal article
Year	2020	Publication	Superconductor Science & Technology	Abbreviated Journal	Supercond Sci Tech
Volume	33	Issue	4	Pages	044010
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	The structural and transport properties of YBa2Cu3O7−x films grown by pulsed laser deposition with mixed 2.5 mol% Ba2YTaO6 (BYTO) and 2.5 mol% Ba2YNbO6 (BYNO) double-perovskite secondary phases are investigated in an extended film growth rate, R = 0.02–1.8 nm s−1. The effect of R on the film microstructure analyzed by TEM techniques shows an evolution from sparse and straight to denser, thinner and splayed continuous columns, with mixed BYNO + BYTO (BYNTO) composition, as R increases from 0.02 nm s−1 to 1.2 nm s−1. This microstructure results in very efficient flux pinning at 77 K, leading to a remarkable improvement in the critical current density (J c) behaviour, with the maximum pinning force density F p(Max) = 13.5 GN m−3 and the irreversibility field in excess of 11 T. In this range, the magnetic field values at which the F p is maximized varies from 1 T to 5 T, being related to the BYNTO columnar density. The film deposited when R = 0.3 nm s−1 exhibits the best performances over the whole temperature and magnetic field ranges, achieving F p(Max) = 900 GN m−3 at 10 K and 12 T. At higher rates, R > 1.2 nm s−1, BYNTO columns show a meandering nature and are prone to form short nanorods. In addition, in the YBCO film matrix a more disordered structure with a high density of short stacking faults is observed. From the analysis of the F p(H, T) curves it emerges that in films deposited at the high R limit, the vortex pinning is no longer dominated by BYNTO columnar defects, but by a new mechanism showing the typical temperature scaling law. Even though this microstructure produces a limited improvement at 77 K, it exhibits a strong J c improvement at lower temperature with F p = 700 GN m−3 at 10 K, 12 T and 900 GN m−3 at 4.2 K, 18 T.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000525650500001	Publication Date	2020-04-01
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0953-2048	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.6	Times cited		Open Access	OpenAccess
Notes	This work was partially financially supported by EUROTAPES, a collaborative project funded by the European Commission’s Seventh Framework Program (FP7/2007–2013) under Grant Agreement No. 280432. This work has been partially carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom programme 2014-2018 and 2019-2020 under grant agreement N° 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 823717 – ESTEEM3 (Nano-engineered YBCO Superconducting Tapes for High Field Applications, NESTApp). G. C. acknowledges the support of Michele De Angelis for XRD measurements and calculations.			Approved	Most recent IF: 3.6; 2020 IF: 2.878
Call Number	UA @ lucian @c:irua:168582			Serial	6394
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Author	Verheyen, C.; Silva, T.; Guerra, V.; Bogaerts, A.
Title	The effect of H₂O on the vibrational populations of CO₂in a CO₂/H₂O microwave plasma: a kinetic modelling investigation			Type	A1 Journal article
Year	2020	Publication	Plasma Sources Science & Technology	Abbreviated Journal	Plasma Sources Sci T
Volume	29	Issue	9	Pages	095009
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	Plasma has been studied for several years to convert CO2 into value-added products. If CO2 could be converted in the presence of H2O as a cheap H-source for making syngas and oxygenates, it would mimic natural photosynthesis. However, CO2/H2O plasmas have not yet been extensively studied, not by experiments, and certainly not computationally. Therefore, we present here a kinetic modelling study to obtain a greater understanding of the vibrational kinetics of a CO2/H2O microwave plasma. For this purpose, we first created an electron impact cross section set for H2O, using a swarm-derived method. We added the new cross section set and CO2/H2O-related chemistry to a pure CO2 model. While it was expected that H2O addition mainly causes quenching of the CO2 asymmetric mode vibrational levels due to the additional CO2/H2O vibrational-translational relaxation, our model shows that the modifications in the vibrational kinetics are mainly induced by the strong electron dissociative attachment to H2O molecules, causing a reduction in electron density, and the corresponding changes in the input of energy into the CO2 vibrational levels by electron impact processes.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000570601300001	Publication Date	2020-09-16
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1361-6595	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.8	Times cited		Open Access
Notes	Fonds Wetenschappelijk Onderzoek, 1184820N ; Fundação para a Ciência e a Tecnologia, under projects UIDB/50010/2020 and ; This research was supported by FWO–PhD fellowshipaspirant, Grant 1184820N. VG and TS were partially supported by the Portuguese FCT, under projects UIDB/50010/2020 and UIDP/50010/2020			Approved	Most recent IF: 3.8; 2020 IF: 3.302
Call Number	PLASMANT @ plasmant @c:irua:172011			Serial	6433
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Author	Vohra, A.; Makkonen, I.; Pourtois, G.; Slotte, J.; Porret, C.; Rosseel, E.; Khanam, A.; Tirrito, M.; Douhard, B.; Loo, R.; Vandervorst, W.
Title	Source/drain materials for Ge nMOS devices: phosphorus activation in epitaxial Si, Ge, Ge_1-xSn_x and Si_yGe_1-x-ySn_x			Type	A1 Journal article
Year	2020	Publication	Ecs Journal Of Solid State Science And Technology	Abbreviated Journal	Ecs J Solid State Sc
Volume	9	Issue	4	Pages	044010-44012
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	This paper benchmarks various epitaxial growth schemes based on n-type group-IV materials as viable source/drain candidates for Ge nMOS devices. Si:P grown at low temperature on Ge, gives an active carrier concentration as high as 3.5 x 10(20) cm(-3) and a contact resistivity down to 7.5 x 10(-9) Omega.cm(2). However, Si:P growth is highly defective due to large lattice mismatch between Si and Ge. Within the material stacks assessed, one option for Ge nMOS source/drain stressors would be to stack Si:P, deposited at contact level, on top of a selectively grown n-SiyGe1-x-ySnx at source/drain level, in line with the concept of Si passivation of n-Ge surfaces to achieve low contact resistivities as reported in literature (Martens et al. 2011 Appl. Phys. Lett., 98, 013 504). The saturation in active carrier concentration with increasing P (or As)-doping is the major bottleneck in achieving low contact resistivities for as-grown Ge or SiyGe1-x-ySnx. We focus on understanding various dopant deactivation mechanisms in P-doped Ge and Ge1-xSnx alloys. First principles simulation results suggest that P deactivation in Ge and Ge1-xSnx can be explained both by P-clustering and donor-vacancy complexes. Positron annihilation spectroscopy analysis, suggests that dopant deactivation in P-doped Ge and Ge1-xSnx is primarily due to the formation of P-n-V and SnmPn-V clusters. (C) 2020 The Author(s). Published on behalf of The Electrochemical Society by IOP Publishing Limited.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000531473500002	Publication Date	2020-04-27
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	2162-8769; 2162-8777	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.2	Times cited		Open Access
Notes	; The imec core CMOS program members, European Commission, the TAKEMI5 ECSEL project, local authorities and the imec pilot line are acknowledged for their support. Air Liquide Advanced Materials is acknowledged for providing advanced precursor gases. A. V. acknowledges his long stay abroad grant and a grant for participation in congress abroad from the Research Foundation-Flanders (Application No. V410518N and K159219N). I. M. acknowledges financial support from Academy of Finland (Project Nos. 285 809, 293 932 and 319 178). CSC-IT Center for Science, Finland is acknowledged for providing the computational resources. ;			Approved	Most recent IF: 2.2; 2020 IF: 1.787
Call Number	UA @ admin @ c:irua:169502			Serial	6607
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Author	Kelly, S.; van de Steeg, A.; Hughes, A.; van Rooij, G.; Bogaerts, A.
Title	Thermal instability and volume contraction in a pulsed microwave N₂plasma at sub-atmospheric pressure			Type	A1 Journal article
Year	2021	Publication	Plasma Sources Science & Technology	Abbreviated Journal	Plasma Sources Sci T
Volume	30	Issue	5	Pages	055005
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	We studied the evolution of an isolated pulsed plasma in a vortex flow stabilised microwave (MW) discharge in N2 at 25 mbar via the combination of 0D kinetics modelling, iCCD imaging and laser scattering diagnostics. Quenching of electronically excited N2 results in fast gas heating and the onset of a thermal-ionisation instability, contracting the discharge volume. The onset of a thermal-ionisation instability driven by vibrational excitation pathways is found to facilitate significantly higher N2 conversion (i.e. dissociation to atomic N2 ) compared to pre-instability conditions, emphasizing the potential utility of this dynamic in future fixation applications. The instability onset is found to be instigated by super-elastic heating of the electron energy distribution tail via vibrationally excited N2 . Radial contraction of the discharge to the skin depth is found to occur post instability, while the axial elongation is found to be temporarily contracted during the thermal instability onset. An increase in power reflection during the thermal instability onset eventually limits the destabilising effects of exothermic electronically excited N2 quenching. Translational and vibrational temperature reach a quasi-non-equilibrium after the discharge contraction, with translational temperatures reaching ∼1200 K at the pulse end, while vibrational temperatures are found in near equilibrium with the electron energy (1 eV, or ∼11 600 K). This first description of the importance of electronically excited N2 quenching in thermal instabilities gives an additional fundamental understanding of N2 plasma behaviour in pulsed MW context, and thereby brings the eventual implementation of this novel N2 fixation method one step closer.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000648710900001	Publication Date	2021-05-01
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0963-0252	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.302	Times cited		Open Access	OpenAccess
Notes	Stichting voor de Technische Wetenschappen, 733.000.002 ; Fonds Wetenschappelijk Onderzoek, 30505023 GoF9618n ; H2020 European Research Council, 810182 ; H2020 Marie Skłodowska-Curie Actions, 813393 838181 ; SK & AB acknowledge financial support by the European Marie Skłodowska-Curie Individual Fellowship ‘PENFIX’ within Horizon 2020 (Grant No. 838181), the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (Grant Agreement No. 810182—SCOPE ERC Synergy project), and the Excellence of Science FWO-FNRS project (FWO Grant ID GoF9618n, EOS ID 30505023). 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 Centre VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. SK and AB would like to thank Mr Luc van ’t dack, Dr Karen Leyssens and Ing. Karel Venken for their technical assistance. AvdS, AH and GvR are grateful to Ampleon for the use of their solid-state microwave amplifier units and acknowledge financial support from the Netherlands Organisation for Scientific Research (NWO Grant No. 733.000.002) in the framework of the CO2 -to-products programme with kind support from Shell, and the ENW PPP Fund for the top sectors. This project has been partially funded by the European Union’s Horizon 2020 research and innovation programme ‘Pioneer’ under the Marie Skłodowska-Curie Grant Agreement No. 813393.			Approved	Most recent IF: 3.302
Call Number	PLASMANT @ plasmant @c:irua:178122			Serial	6759
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Author	Bahnamiri, O.S.; Verheyen, C.; Snyders, R.; Bogaerts, A.; Britun, N.
Title	Nitrogen fixation in pulsed microwave discharge studied by infrared absorption combined with modelling			Type	A1 Journal Article;nitrogen fixation
Year	2021	Publication	Plasma Sources Science & Technology	Abbreviated Journal	Plasma Sources Sci T
Volume	30	Issue	6	Pages	065007
Keywords	A1 Journal Article;nitrogen fixation; pulsed microwave discharge; FTIR spectroscopy; discharge modelling; vibrational excitation; NO yield; energy cost; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract	A pulsed microwave surfaguide discharge operating at 2.45 GHz was used for the conversion of molecular nitrogen into valuable compounds in several gas mixtures: N2 :O2 , N2 :O2 :CO2 and N2 :CO2 . The ro-vibrational absorption bands of the molecular species were monitored by a Fourier transform infrared apparatus in the post-discharge region in order to evaluate the relative number density of species, specifically NO production. The effects of specific energy input, pulse frequency, gas flow fraction, gas admixture and gas flow rate were studied for better understanding and optimization of the NO production yield and the corresponding energy cost (EC). By both the experiment and modelling, a highest NO yield is obtained at N2 :O2 (1:1) gas ratio in N2 :O2 mixture. The NO yield reveals a small growth followed by saturation when pulse repetition frequency increases. The energy efficiency start decreasing after the energy input reaches about 5 eV/molec, whereas the NO yield rises steadily at the same time. The lowest EC of about 8 MJ mol−1 corresponding to the yield and the energy efficiency of about 7% and 1% are found, respectively, in an optimum discharge condition in our case.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000659671000001	Publication Date	2021-06-01
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0963-0252	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.302	Times cited		Open Access	OpenAccess
Notes	Fonds De La Recherche Scientifique—FNRS, EOS O005118F ; The research is supported by the FNRS-FWO project ‘NITROPLASM’, EOS O005118F. O Samadi also acknowledges PhD student F Manaigo for cooperation in doing the additional measurements.			Approved	Most recent IF: 3.302
Call Number	PLASMANT @ plasmant @c:irua:179170			Serial	6798
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Author	Ding, L.; Zhao, M.; Ehlers, F.J.H.; Jia, Z.; Zhang, Z.; Weng, Y.; Schryvers, D.; Liu, Q.; Idrissi, H.
Title	“Branched” structural transformation of the L12-Al3Zr phase manipulated by Cu substitution/segregation in the Al-Cu-Zr alloy system			Type	A1 Journal article
Year	2024	Publication	Journal of materials science & technology	Abbreviated Journal	Journal of Materials Science & Technology
Volume	185	Issue		Pages	186-206
Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract	The effect of Cu on the evolution of the Al3Zr phase in an Al-Cu-Zr cast alloy during solution treatment at 500 °C has been thoroughly studied by combining atomic resolution high-angle annular dark-field scanning transmission electron microscopy, energy-dispersive X-ray spectroscopy and first-principles cal- culations. The heat treatment initially produces a pure L12-Al3Zr microstructure, allowing for about 13 % Cu to be incorporated in the dispersoid. Cu incorporation increases the energy barrier for anti-phase boundary (APB) activation, thus stabilizing the L12 structure. Additional heating leads to a Cu-induced “branched”path for the L12 structural transformation, with the latter process accelerated once the first APB has been created. Cu atoms may either (i) be repelled by the APBs, promoting the transformation to a Cu-poor D023 phase, or (ii) they may segregate at one Al-Zr layer adjacent to the APB, promoting a transformation to a new thermodynamically favored phase, Al4CuZr, formed when these segregation layers are periodically arranged. Theoretical studies suggest that the branching of the L12 transformation path is linked to the speed at which an APB is created, with Cu attraction triggered by a comparatively slow process. This unexpected transformation behavior of the L12-Al3Zr phase opens a new path to understanding, and potentially regulating the Al3Zr dispersoid evolution for high temperature applications.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	001154261100001	Publication Date	2023-12-24
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1005-0302	ISBN		Additional Links	UA library record; WoS full record
Impact Factor	10.9	Times cited		Open Access	Not_Open_Access
Notes	This work was supported by the National Key Research and Development Program (No. 2020YFA0405900), the National Natural Science Foundation of China (Grant No. 52371111 and U2141215 ), the Natural Science Foundation of Jiangsu Province (No. BE2022159 ). We are grateful to the High Performance Computing Center of Nanjing Tech University for supporting the computational resources. H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSR- FNRS).			Approved	Most recent IF: 10.9; 2024 IF: 2.764
Call Number	EMAT @ emat @c:irua:202392			Serial	8981
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Author	Zhang, L.; Heijkers, S.; Wang, W.; Martini, L.M.; Tosi, P.; Yang, D.; Fang, Z.; Bogaerts, A.
Title	Dry reforming of methane in a nanosecond repetitively pulsed discharge: chemical kinetics modeling			Type	A1 Journal article
Year	2022	Publication	Plasma Sources Science & Technology	Abbreviated Journal	Plasma Sources Sci T
Volume	31	Issue	5	Pages	055014
Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	Nanosecond pulsed discharge plasma shows a high degree of non-equilibrium, and exhibits relatively high conversions in the dry reforming of methane. To further improve the application, a good insight of the underlying mechanisms is desired. We developed a chemical kinetics model to explore the underlying plasma chemistry in nanosecond pulsed discharge. We compared the calculated conversions and product selectivities with experimental results, and found reasonable agreement in a wide range of specific energy input. Hence, the chemical kinetics model is able to provide insight in the underlying plasma chemistry. The modeling results predict that the most important dissociation reaction of CO<sub>2</sub>and CH<sub>4</sub>is electron impact dissociation. C<sub>2</sub>H<sub>2</sub>is the most abundant hydrocarbon product, and it is mainly formed upon reaction of two CH<sub>2</sub>radicals. Furthermore, the vibrational excitation levels of CO<sub>2</sub>contribute for 85% to the total dissociation of CO<sub>2</sub>.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000797660000001	Publication Date	2022-05-01
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0963-0252	ISBN		Additional Links	UA library record; WoS full record
Impact Factor	3.8	Times cited		Open Access	OpenAccess
Notes	China Scholarship Council; National Natural Science Foundation of China, 11965018 ; This work is supported by the National Natural Science Foundation of China (Grant Nos. 52077026, 11965018), L Zhang was also supported by the China Scholarship Council (CSC). Data availability statement The data that support the findings of this study are available upon reasonable request from the authors.			Approved	Most recent IF: 3.8
Call Number	PLASMANT @ plasmant @c:irua:188537			Serial	7069
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Author	Bogaerts, A.; Neyts, E.C.; Guaitella, O.; Murphy, A.B.
Title	Foundations of plasma catalysis for environmental applications			Type	A1 Journal article
Year	2022	Publication	Plasma Sources Science & Technology	Abbreviated Journal	Plasma Sources Sci T
Volume		Issue		Pages
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	Plasma catalysis is gaining increasing interest for various applications, but the underlying mechanisms are still far from understood. Hence, more fundamental research is needed to understand these mechanisms. This can be obtained by both modelling and experiments. This foundations paper describes the fundamental insights in plasma catalysis, as well as efforts to gain more insights by modelling and experiments. Furthermore, it discusses the state-of-the-art of the major plasma catalysis applications, as well as successes and challenges of technology transfer of these applications.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000804396200001	Publication Date	2022-03-21
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0963-0252	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.8	Times cited		Open Access	OpenAccess
Notes	H2020 Marie Skłodowska-Curie Actions, 823745 ; H2020 European Research Council, 810182 ; We acknowldege financial support from the European Research Council (ERC) under the European Union’s Horizon 2020 Research and Innovation programme (Grant Agreement No. 810182 – SCOPE ERC Synergy project) and the European Union’s Horizon 2020 Research and Innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 813393 (PIONEER).			Approved	Most recent IF: 3.8
Call Number	PLASMANT @ plasmant @c:irua:188539			Serial	7070
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Author	Bissonnette-Dulude, J.; Heirman, P.; Coulombe, S.; Bogaerts, A.; Gervais, T.; Reuter, S.
Title	Coupling the COST reference plasma jet to a microfluidic device: a computational study			Type	A1 Journal article
Year	2024	Publication	Plasma sources science and technology	Abbreviated Journal	Plasma Sources Sci. Technol.
Volume	33	Issue	1	Pages	015001
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	The use of microfluidic devices in the field of plasma-liquid interaction can unlock unique possibilities to investigate the effects of plasma-generated reactive species for environmental and biomedical applications. So far, very little simulation work has been performed on microfluidic devices in contact with a plasma source. We report on the modelling and computational simulation of physical and chemical processes taking place in a novel plasma-microfluidic platform. The main production and transport pathways of reactive species both in plasma and liquid are modelled by a novel modelling approach that combines 0D chemical kinetics and 2D transport mechanisms. This combined approach, applicable to systems where the transport of chemical species occurs in unidirectional flows at high Péclet numbers, decreases calculation times considerably compared to regular 2D simulations. It takes advantage of the low computational time of the 0D reaction models while providing spatial information through multiple plug-flow simulations to yield a quasi-2D model. The gas and liquid flow profiles are simulated entirely in 2D, together with the chemical reactions and transport of key chemical species. The model correctly predicts increased transport of hydrogen peroxide into the liquid when the microfluidic opening is placed inside the plasma effluent region, as opposed to inside the plasma region itself. Furthermore, the modelled hydrogen peroxide production and transport in the microfluidic liquid differs by less than 50% compared with experimental results. To explain this discrepancy, the limits of the 0D–2D combined approach are discussed.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	001136607100001	Publication Date	2024-01-01
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0963-0252	ISBN		Additional Links	UA library record; WoS full record
Impact Factor	3.8	Times cited		Open Access	Not_Open_Access
Notes	Natural Sciences and Engineering Research Council of Canada, RGPIN-06820 ; FWO, 1100421N ; McGill University, the TransMedTech Institute;			Approved	Most recent IF: 3.8; 2024 IF: 3.302
Call Number	PLASMANT @ plasmant @c:irua:202783			Serial	8990
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Author	Biondo, O.; Fromentin, C.; Silva, T.; Guerra, V.; van Rooij, G.; Bogaerts, A.
Title	Insights into the limitations to vibrational excitation of CO₂: validation of a kinetic model with pulsed glow discharge experiments			Type	A1 Journal article
Year	2022	Publication	Plasma Sources Science & Technology	Abbreviated Journal	Plasma Sources Sci T
Volume	31	Issue	7	Pages	074003
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	Vibrational excitation represents an efficient channel to drive the dissociation of CO<sub>2</sub>in a non-thermal plasma. Its viability is investigated in low-pressure pulsed discharges, with the intention of selectively exciting the asymmetric stretching mode, leading to stepwise excitation up to the dissociation limit of the molecule. Gas heating is crucial for the attainability of this process, since the efficiency of vibration–translation (V–T) relaxation strongly depends on temperature, creating a feedback mechanism that can ultimately thermalize the discharge. Indeed, recent experiments demonstrated that the timeframe of V–T non-equilibrium is limited to a few milliseconds at ca. 6 mbar, and shrinks to the<italic>μ</italic>s-scale at 100 mbar. With the aim of backtracking the origin of gas heating in pure CO<sub>2</sub>plasma, we perform a kinetic study to describe the energy transfers under typical non-thermal plasma conditions. The validation of our kinetic scheme with pulsed glow discharge experiments enables to depict the gas heating dynamics. In particular, we pinpoint the role of vibration–vibration–translation relaxation in redistributing the energy from asymmetric to symmetric levels of CO<sub>2</sub>, and the importance of collisional quenching of CO<sub>2</sub>electronic states in triggering the heating feedback mechanism in the sub-millisecond scale. This latter finding represents a novelty for the modelling of low-pressure pulsed discharges and we suggest that more attention should be paid to it in future studies. Additionally, O atoms convert vibrational energy into heat, speeding up the feedback loop. The efficiency of these heating pathways, even at relatively low gas temperature and pressure, underpins the lifetime of V–T non-equilibrium and suggests a redefinition of the optimal conditions to exploit the ‘ladder-climbing’ mechanism in CO<sub>2</sub>discharges.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000839466500001	Publication Date	2022-07-01
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0963-0252	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.8	Times cited		Open Access	OpenAccess
Notes	Fundação para a Ciência e a Tecnologia, PLA/0076/2021 ; H2020 Marie Skłodowska-Curie Actions, 813393 ; This research was supported by the European Union’s Horizon 2020 Research and Innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 813393 (PIONEER). V Guerra and T Silva were partially funded by the Portuguese ‘FCT-Fundação para a Ciência e a Tecnologia’, under Projects UIDB/50010/2020, UIDP/50010/2020, PTDC/FISPLA/1616/2021 and EXPL/FIS-PLA/0076/2021. 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: 3.8
Call Number	PLASMANT @ plasmant @c:irua:190008			Serial	7106
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Author	Tennyson, J.; Mohr, S.; Hanicinec, M.; Dzarasova, A.; Smith, C.; Waddington, S.; Liu, B.; Alves, L.L.; Bartschat, K.; Bogaerts, A.; Engelmann, S.U.; Gans, T.; Gibson, A.R.; Hamaguchi, S.; Hamilton, K.R.; Hill, C.; O’Connell, D.; Rauf, S.; van ’t Veer, K.; Zatsarinny, O.
Title	The 2021 release of the Quantemol database (QDB) of plasma chemistries and reactions			Type	A1 Journal article
Year	2022	Publication	Plasma Sources Science & Technology	Abbreviated Journal	Plasma Sources Sci T
Volume	31	Issue	9	Pages	095020
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	The Quantemol database (QDB) provides cross sections and rates of processes important for plasma models; heavy particle collisions (chemical reactions) and electron collision processes are considered. The current version of QDB has data on 28 917 processes between 2485 distinct species plus data for surface processes. These data are available via a web interface or can be delivered directly to plasma models using an application program interface; data are available in formats suitable for direct input into a variety of popular plasma modeling codes including HPEM, COMSOL, ChemKIN, CFD-ACE+, and VisGlow. QDB provides ready assembled plasma chemistries plus the ability to build bespoke chemistries. The database also provides a Boltzmann solver for electron dynamics and a zero-dimensional model. Thesedevelopments, use cases involving O<sub>2</sub>, Ar/NF<sub>3</sub>, Ar/NF<sub>3</sub>/O<sub>2</sub>, and He/H<sub>2</sub>O/O<sub>2</sub>chemistries, and plans for the future are presented.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000895762200001	Publication Date	2022-09-01
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0963-0252	ISBN		Additional Links	UA library record; WoS full record
Impact Factor	3.8	Times cited		Open Access	OpenAccess
Notes	Engineering and Physical Sciences Research Council, EP/N509577/1 ; Fundação para a Ciência e a Tecnologia, UIDB/50010/2020 ; Science and Technology Facilities Council, ST/K004069/1 ; National Science Foundation, OAC-1834740 ;			Approved	Most recent IF: 3.8
Call Number	PLASMANT @ plasmant @c:irua:192845			Serial	7245
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Author	Alloul, A.; Blansaer, N.; Cabecas Segura, P.; Wattiez, R.; Vlaeminck, S.E.; Leroy, B.
Title	Dehazing redox homeostasis to foster purple bacteria biotechnology			Type	A1 Journal article
Year	2023	Publication	Trends in biotechnology : regular edition	Abbreviated Journal
Volume	41	Issue	1	Pages	106-119
Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract	Purple non-sulfur bacteria (PNSB) show great potential for environmental and industrial biotechnology, producing microbial protein, biohydrogen, polyhydroxyalkanoates (PHAs), pigments, etc. When grown photoheterotrophically, the carbon source is typically more reduced than the PNSB biomass, which leads to a redox imbalance. To mitigate the excess of electrons, PNSB can exhibit several ‘electron sinking’ strategies, such as CO2 fixation, N2 fixation, and H2 and PHA production. The lack of a comprehensive (over)view of these redox strategies is hindering the implementation of PNSB for biotechnology applications. This review aims to present the state of the art of redox homeostasis in phototrophically grown PNSB, presenting known and theoretically expected strategies, and discussing them from stoichiometric, thermodynamic, metabolic, and economic points of view.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000923198400001	Publication Date	2022-07-14
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1879-3096;0167-7799	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	17.3	Times cited		Open Access	OpenAccess
Notes				Approved	Most recent IF: 17.3; 2023 IF: 11.126
Call Number	UA @ admin @ c:irua:192944			Serial	7294
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Author	Tsonev, I.; Boothroyd, J.; Kolev, S.; Bogaerts, A.
Title	Simulation of glow and arc discharges in nitrogen: effects of the cathode emission mechanisms			Type	A1 Journal Article
Year	2023	Publication	PLASMA SOURCES SCIENCE & TECHNOLOGY	Abbreviated Journal
Volume	32	Issue	5	Pages	054002
Keywords	A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract	Experimental evidence in the literature has shown that low-current direct current nitrogen discharges can exist in both glow and arc regimes at atmospheric pressure. However, modelling investigations of the positive column that include the influence of the cathode phenomena are scarce. In this work we developed a 2D axisymmetric model of a plasma discharge in flowing nitrogen gas, studying the influence of the two cathode emission mechanisms—thermionic field emission and secondary electron emission—on the cathode region and the positive column. We show for an inlet gas flow velocity of 1 m s<sup>−1</sup>in the current range of 80–160 mA, that the electron emission mechanism from the cathode greatly affects the size and temperature of the cathode region, but does not significantly influence the discharge column at atmospheric pressure. We also demonstrate that in the discharge column the electron density balance is local and the electron production and destruction is dominated by volume processes. With increasing flow velocity, the discharge contraction is enhanced due to the increased convective heat loss. The cross sectional area of the conductive region is strongly dependent on the gas velocity and heat conductivity of the gas.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000987841800001	Publication Date	2023-05-01
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0963-0252	ISBN		Additional Links	UA library record; WoS full record
Impact Factor	3.8	Times cited		Open Access	Not_Open_Access
Notes	This research is financially supported by the European Union’s Horizon 2020 research and innovation programme under Grant Agreement No. 965546.			Approved	Most recent IF: 3.8; 2023 IF: 3.302
Call Number	PLASMANT @ plasmant @c:irua:196972			Serial	8788
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Author	Vanraes, P.; Parayil Venugopalan, S.; Besemer, M.; Bogaerts, A.
Title	Assessing neutral transport mechanisms in aspect ratio dependent etching by means of experiments and multiscale plasma modeling			Type	A1 Journal Article
Year	2023	Publication	Plasma Sources Science and Technology	Abbreviated Journal	Plasma Sources Sci. Technol.
Volume	32	Issue	6	Pages	064004
Keywords	A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract	Since the onset of pattern transfer technologies for chip manufacturing, various strategies have been developed to circumvent or overcome aspect ratio dependent etching (ARDE). These methods have, however, their own limitations in terms of etch non-idealities, throughput or costs. Moreover, they have mainly been optimized for individual in-device features and die-scale patterns, while occasionally ending up with poor patterning of metrology marks, affecting the alignment and overlay in lithography. Obtaining a better understanding of the underlying mechanisms of ARDE and how to mitigate them therefore remains a relevant challenge to date, for both marks and advanced nodes. In this work, we accordingly assessed the neutral transport mechanisms in ARDE by means of experiments and multiscale modeling for SiO<sub>2</sub>etching with CHF<sub>3</sub>/Ar and CF<sub>4</sub>/Ar plasmas. The experiments revealed a local maximum in the etch rate for an aspect ratio around unity, i.e. the simultaneous occurrence of regular and inverse reactive ion etching lag for a given etch condition. We were able to reproduce this ARDE trend in the simulations without taking into account charging effects and the polymer layer thickness, suggesting shadowing and diffuse reflection of neutrals as the primary underlying mechanisms. Subsequently, we explored four methods with the simulations to regulate ARDE, by varying the incident plasma species fluxes, the amount of polymer deposition, the ion energy and angular distribution and the initial hardmask sidewall angle, for which the latter was found to be promising in particular. Although our study focusses on feature dimensions characteristic to metrology marks and back-end-of-the-line integration, the obtained insights have a broader relevance, e.g. to the patterning of advanced nodes. Additionally, this work supports the insight that physisorption may be more important in plasma etching at room temperature than originally thought, in line with other recent studies, a topic on which we recommend further research.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	001021250100001	Publication Date	2023-06-01
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0963-0252	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.8	Times cited		Open Access	Not_Open_Access
Notes	P Vanraes acknowledges funding by ASML for the project ‘Computational simulation of plasma etching of trench structures’. P Vanraes and A Bogaerts want to express their gratitude to Mark J Kushner (University of Michigan) for the sharing of the HPEM and MCFPM codes, and for the interesting exchange of views. P Vanraes wishes to thank Violeta Georgieva and Stefan Tinck for the fruitful discussions on the HPEM code, Yu-Ru Zhang for an example of the CCP reactor code and Karel Venken for his technical help with the server maintenance and use. S P Venugopalan and M Besemer wish to thank Luigi Scaccabarozzi, Sander Wuister, Coen Verschuren, Michael Kubis, Kuan-Ming Chen, Ruben Maas, Huaichen Zhang and Julien Mailfert (ASML) for the insightful discussions.			Approved	Most recent IF: 3.8; 2023 IF: 3.302
Call Number	PLASMANT @ plasmant @c:irua:197760			Serial	8811
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Author	de la Croix, T.; Claes, N.; Eyley, S.; Thielemans, W.; Bals, S.; De Vos, D.
Title	Heterogeneous Pt-catalyzed transfer dehydrogenation of long-chain alkanes with ethylene			Type	A1 Journal Article
Year	2023	Publication	Catalysis Science & Technology	Abbreviated Journal	Catal. Sci. Technol.
Volume		Issue		Pages
Keywords	A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Abstract	The dehydrogenation of long-chain alkanes to olefins and alkylaromatics is a challenging endothermic reaction, typically requiring harsh conditions which can lead to low selectivity and coking. More favorable thermodynamics can be achieved by using a hydrogen acceptor, such as ethylene. In this work, the potential of heterogeneous platinum catalysts for the transfer dehydrogenation of long-chain alkanes is investigated, using ethylene as a convenient hydrogen acceptor. Pt/C and Pt–Sn/C catalysts were prepared<italic>via</italic>a simple polyol method and characterized with CO pulse chemisorption, HAADF-STEM, and EDX measurements. Conversion of ethylene was monitored<italic>via</italic>gas-phase FTIR, and distribution of liquid products was analyzed<italic>via</italic>GC-FID, GC-MS, and 1H-NMR. Compared to unpromoted Pt/C, Sn-promoted catalysts show lower initial reaction rates, but better resistance to catalyst deactivation, while increasing selectivity towards alkylaromatics. Both reaction products and ethylene were found to inhibit the reaction significantly. At 250 °C for 22 h, TON up to 28 and 86 mol per mol Pt were obtained for Pt/C and PtSn<sub>2</sub>/C, respectively, with olefin selectivities of 94% and 53%. The remaining products were mainly unbranched alkylaromatics. These findings show the potential of simple heterogeneous catalysts in alkane transfer dehydrogenation, for the preparation of valuable olefins and alkylaromatics, or as an essential step in various tandem reactions.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	001104905100001	Publication Date	2023-11-09
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	2044-4753	ISBN		Additional Links	UA library record; WoS full record
Impact Factor	5	Times cited		Open Access	OpenAccess
Notes	T. de la Croix gratefully acknowledges the support of the Flanders Research Foundation (FWO) under project 11F6622N. D. De Vos is grateful to FWO for support of project G0D3721N, and to KU Leuven for the iBOF project 21/016/C3. S. Bals and N. Claes acknowledge funding from the European Research Council under the European Union’s Horizon 2020 research and innovation program (ERC Consolidator Grant No. 815128- REALNANO). W. Thielemans and S. Eyley thank KU Leuven (grant C14/18/061) and FWO (G0A1219N) for financial support.			Approved	Most recent IF: 5; 2023 IF: 5.773
Call Number	EMAT @ emat @c:irua:201010			Serial	8968
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Author	Albrechts, M.; Tsonev, I.; Bogaerts, A.
Title	Investigation of O atom kinetics in O₂plasma and its afterglow			Type	A1 Journal Article
Year	2024	Publication	Plasma Sources Science and Technology	Abbreviated Journal	Plasma Sources Sci. Technol.
Volume	33	Issue	4	Pages	045017
Keywords	A1 Journal Article; oxygen plasma, pseudo-1D plug-flow kinetic model, O atoms, low-pressure validation, atmospheric pressure microwave torch; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract	We have developed a comprehensive kinetic model to study the O atom kinetics in an O<sub>2</sub>plasma and its afterglow. By adopting a pseudo-1D plug-flow formalism within the kinetic model, our aim is to assess how far the O atoms travel in the plasma afterglow, evaluating its potential as a source of O atoms for post-plasma gas conversion applications. Since we could not find experimental data for pure O<sub>2</sub>plasma at atmospheric pressure, we first validated our model at low pressure (1–10 Torr) where very good experimental data are available. Good agreement between our model and experiments was achieved for the reduced electric field, gas temperature and the densities of the dominant neutral species, i.e. O<sub>2</sub>(a), O<sub>2</sub>(b) and O. Subsequently, we confirmed that the chemistry set is consistent with thermodynamic equilibrium calculations at atmospheric pressure. Finally, we investigated the O atom densities in the O<sub>2</sub>plasma and its afterglow, for which we considered a microwave O<sub>2</sub>plasma torch, operating at a pressure between 0.1 and 1 atm, for a flow rate of 20 slm and an specific energy input of 1656 kJ mol<sup>−1</sup>. Our results show that for both pressure conditions, a high dissociation degree of ca. 92% is reached within the discharge. However, the O atoms travel much further in the plasma afterglow for<italic>p</italic>= 0.1 atm (9.7 cm) than for<italic>p</italic>= 1 atm (1.4 cm), attributed to the longer lifetime (3.8 ms at 0.1 atm vs 1.8 ms at 1 atm) resulting from slower three-body recombination kinetics, as well as a higher volumetric flow rate.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	001209453500001	Publication Date	2024-04-01
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0963-0252	ISBN		Additional Links	UA library record; WoS full record
Impact Factor	3.8	Times cited		Open Access
Notes	This research was supported by the Horizon Europe Framework Program ‘Research and Innovation Actions’ (RIA), Project CANMILK (Grant No. 101069491).			Approved	Most recent IF: 3.8; 2024 IF: 3.302
Call Number	PLASMANT @ plasmant @c:irua:205920			Serial	9125
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Author	Zhou, S.; Zhang, C.; Xu, W.; Zhang, J.; Xiao, Y.; Ding, L.; Wen, H.; Cheng, X.; Hu, C.; Li, H.; Li, X.; Peeters, F.M.
Title	Observation of temperature induced phase transitions in TiO superconducting thin film via infrared measurement			Type	A1 Journal article
Year	2024	Publication	Infrared physics and technology	Abbreviated Journal
Volume	137	Issue		Pages	105160-105169
Keywords	A1 Journal article; Condensed Matter Theory (CMT)
Abstract	In contrast to conventional polycrystalline titanium oxide (TiO), it was found recently that the superconducting transition temperature Tc can be significantly enhanced from about 2 K to 7.4 K in cubic TiO thin films grown epitaxially on alpha-Al2O3 substrates. This kind of TiO film is also expected to have distinctive optoelectronic properties, which are still not very clear up to now. Herein, by using infrared (IR) reflection measurement we investigate the temperature-dependent optoelectronic response of a cubic TiO thin film, in which temperature induced phase transitions are observed. The semiconductor-, metallic- and semiconductor-like electronic phases of this superconducting film are found in the temperature regimes from 10 to 110 K, 110 to 220 K and above 220 K, respectively. The results obtained optically are consistent with those measured by transport experiment. Furthermore, based on an improved reflection model developed here, we extract the complex optical conductivity of the cubic TiO thin film. We are able to approximately determine the characteristic parameters (e.g., effective electron mass, carrier density, scattering time, etc.) for different electronic phases by fitting the optical conductivity with the modified Lorentz formula. These results not only deepen our understanding of the fundamental physics for cubic TiO thin films but also may find applications in optoelectronic devices based on superconductors.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	001170490200001	Publication Date	2024-01-21
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1350-4495	ISBN		Additional Links	UA library record; WoS full record
Impact Factor	3.3	Times cited		Open Access
Notes				Approved	Most recent IF: 3.3; 2024 IF: 1.713
Call Number	UA @ admin @ c:irua:204853			Serial	9162
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Author	Xiao, H.; Wen, H.; Xu, W.; Cheng, Y.; Zhang, J.; Cheng, X.; Xiao, Y.; Ding, L.; Li, H.; He, B.; Peeters, F.M.
Title	Terahertz magneto-optical properties of Nitrogen-doped diamond			Type	A1 Journal article
Year	2024	Publication	Infrared physics and technology	Abbreviated Journal
Volume	138	Issue		Pages	105237-105239
Keywords	A1 Journal article; Condensed Matter Theory (CMT)
Abstract	Nitrogen-doped diamond (N-D) is one of the most important carbon-based electronic and optical materials. Here we study the terahertz (THz) magneto-optical (MO) properties of N-D grown by microwave plasma-enhanced chemical vapor deposition. The optical microscope, SEM, XRD, Raman spectrum, FTIR spectroscopy and XPS are used for the characterization of N-D samples. Applying THz time-domain spectroscopy (TDS), in combination with the polarization test and the presence of magnetic field in Faraday geometry, THz MO transmissions through N-D are measured from 0 to 8 T at 80 K. The complex right- and left-handed circular transmission coefficients and MO conductivities for N-D are obtained accordingly. Through fitting the experimental results with theoretical formulas of the dielectric constant and MO conductivities for an electron gas, we are able to determine magneto-optically the key electronic parameters of N-D, such as the static dielectric constant epsilon b, the electron density ne, the electronic relaxation time tau, the electronic localization factor alpha and, particularly, the effective electron mass m* obtained under non-resonant condition. The dependence of these parameters upon magnetic field is examined and analyzed. We find that the MO conductivities of N-D can be described rightly by the MO Drude-Smith formulas developed by us previously. It is shown that N-doping and the presence of the magnetic field can lead towards the larger epsilon b and heavier m* in diamond, while ne/tau/alpha in N-D decreases/increases/decreases with increasing magnetic field. The results obtained from this work are benefit to us in gaining an in-depth understanding of the electronic and optoelectronic properties of N-D.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	001200173100001	Publication Date	2024-02-15
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1350-4495	ISBN		Additional Links	UA library record; WoS full record
Impact Factor	3.3	Times cited		Open Access
Notes				Approved	Most recent IF: 3.3; 2024 IF: 1.713
Call Number	UA @ admin @ c:irua:205523			Serial	9178
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Author	Helm, M.; Hilber, W.; Fromherz, T.; Peeters, F.M.; Alavi, K.; Pathak, R.N.
Title	Bloch and localized electrons in semiconductor superlattices			Type	A1 Journal article
Year	1994	Publication	Semiconductor science and technology	Abbreviated Journal	Semicond Sci Tech
Volume	9	Issue		Pages	1989-1993
Keywords	A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author				Thesis
Publisher		Place of Publication	London	Editor
Language		Wos	A1994PT27100023	Publication Date	2002-08-25
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0268-1242;1361-6641;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.19	Times cited	1	Open Access
Notes				Approved	no
Call Number	UA @ lucian @ c:irua:9370			Serial	244
Permanent link to this record



Author	Jacques, P.; Verbist, K.; Lapin, J.; Ryelandt, L.; Van Tendeloo, G.; Delannay, F.
Title	Critical assessment of the process of growth of a YBa₂Cu₃O_7-\delta layer on Y₂BaCuO₅			Type	A1 Journal article
Year	1996	Publication	Superconductor science and technology	Abbreviated Journal	Supercond Sci Tech
Volume	9	Issue		Pages	176-183
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author				Thesis
Publisher		Place of Publication	Bristol	Editor
Language		Wos	A1996TZ48100008	Publication Date	2002-08-25
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0953-2048;1361-6668;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.325	Times cited	1	Open Access
Notes				Approved	no
Call Number	UA @ lucian @ c:irua:15462			Serial	539
Permanent link to this record



Author	Volkov, V.V.; van Heurck, C.; van Landuyt, J.; Amelinckx, S.; Zhukov, E.G.; Polulyak, E.S.; Novotortsev, V.M.
Title	Electron microscopy and X-ray study of the growth of FeCr₂S₄ spinel single crystals by chemical vapour transport			Type	A1 Journal article
Year	1993	Publication	Crystal research and technology	Abbreviated Journal	Cryst Res Technol
Volume	28	Issue	8	Pages	1051-1061
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	The growth features of FeCr2S4 spinel single crystals prepared by chemical vapour transport were studied by means of scanning electron microscopy, transmission electron microscopy, high resolution electron microscopy, electron diffraction and X-ray analysis. Our results indicate that the epitaxial growth of the new phases FeCr7S12 and FeCr8S12, both based on the NiAs structure, can essentially inhibit the growth of large FeCr2S4 spinel single crystals in the octahedral habit. The new phases are fully characterised and the effects of defect ordering in these new phases are also reported.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Berlin	Editor
Language		Wos	A1993MN86700003	Publication Date	2007-01-13
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0232-1300;1521-4079;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	0.935	Times cited	1	Open Access
Notes				Approved	no
Call Number	UA @ lucian @ c:irua:6788			Serial	952
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Author	Goessens, C.; Schryvers, D.; van Landuyt, J.; de Keyzer, R.
Title	New method to determine the parity of the number of twin planes in tabular silver halide microcrystals from top views			Type	A1 Journal article
Year	1997	Publication	The journal of imaging science and technology	Abbreviated Journal	J Imaging Sci Techn
Volume	41	Issue		Pages	301-307
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author				Thesis
Publisher		Place of Publication	Springfield, Va	Editor
Language		Wos	000077457600017	Publication Date	0000-00-00
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1062-3701	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	0.348	Times cited	1	Open Access
Notes				Approved	Most recent IF: 0.348; 1997 IF: NA
Call Number	UA @ lucian @ c:irua:21346			Serial	2324
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Author	Liu, S.; Wei, M.; Sui, X.; Cheng, X.; Cool, P.; Van Tendeloo, G.
Title	A scanning electron microscopy study on hollow silica microspheres: defects and influences of the synthesis composition			Type	A1 Journal article
Year	2009	Publication	Journal of sol-gel science and technology	Abbreviated Journal	J Sol-Gel Sci Techn
Volume	49	Issue	3	Pages	373-379
Keywords	A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Electron microscopy for materials research (EMAT)
Abstract	Defects on hollow silica spheres synthesized in a tetraethylorthosilicate-octylamine-HCl-H2O system were recorded by scanning microscope. Based on the results, influences of synthesis composition on the formation of these defects are discussed. It is evidenced that products prepared with different octylamine-to-tetraethylorthosilicate ratios may have surface depressions, cracks and non-hollow microspheres. However, by changing water and acid additions, these defects could be reduced or eliminated. Generally, samples synthesized with a large octylamine addition commonly exhibit surface depressions. A small octylamine or a large water addition benefits the formation of solid silica microspheres among the product. Acid, although is not indispensable for the formation of hollow spheres, helps to eliminate or reduce depressions on the hollow shells. It is explained that the added acid gives rise to a relative localized fast hydrolysis versus condensation, facilitating an easy mobility of hydrolyzed silica species, and consequently the shell surface is smoothened.
Address
Corporate Author				Thesis
Publisher	Kluwer	Place of Publication	Dordrecht	Editor
Language		Wos	000263260100015	Publication Date	2008-12-16
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0928-0707;1573-4846;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	1.575	Times cited	1	Open Access
Notes				Approved	Most recent IF: 1.575; 2009 IF: 1.393
Call Number	UA @ lucian @ c:irua:74962			Serial	2941
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Author	Vandelannoote, R.; Blommaert, W.; Van 't dack, L.; Gijbels, R.; van Grieken, R.
Title	Statistical grouping and controlling factors of dissolved trace elements in a surface water system			Type	A3 Journal article
Year	1983	Publication	Environmental technology letters	Abbreviated Journal
Volume	4	Issue	8/9	Pages	363-376
Keywords	A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract	Sensitive multi‐element analytical techniques were applied to determine 24 dissolved trace components in 25 different water samples from a 10 km2 zone in Brittany, France. Correspondence factor and multiple regression analyses showed that the elements considered are influenced mainly by the presence of: Fe‐Mn oxide accumulations, a local poly‐metallic sulfide mineralization, and non‐mineralized host rocks, agricultural activity and abundant organic material in local swamps. Via these numerical techniques the location of the poly‐metallic ore body can be derived from the data set.
Address
Corporate Author				Thesis
Publisher		Place of Publication	London	Editor
Language		Wos		Publication Date	2008-12-17
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0143-2060;	ISBN		Additional Links	UA library record
Impact Factor		Times cited	1	Open Access
Notes				Approved	PHYSICS, APPLIED 28/145 Q1 #
Call Number	UA @ lucian @ c:irua:111443			Serial	3157
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Author	Tan, H.; Lebedev, O.I.; McLaughlin, A.C.; Van Tendeloo, G.
Title	The superstructure and superconductivity of Ru1222 based RuSr₂Gd_2-x-yY_yCe_xCu₂O_10-\delta compounds			Type	A1 Journal article
Year	2010	Publication	Superconductor science and technology	Abbreviated Journal	Supercond Sci Tech
Volume	23	Issue	11	Pages	115013-115013,8
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	For the first time, the local structure and physical properties of Ru1222 based compounds (RuSr(2)Gd(1.4)Ce(0.6)Cu(2)O(10-delta) and RuSr(2)Gd(1.8-x)Y(0.2)CexCu(2)O(10) (x = 0.90-0.55)) have been investigated and analyzed together on the very same compounds. The Ru1222 superstructure was confirmed by TEM at a local scale and was suggested to have an orthorhombic symmetry with space group Aba2 and lattice parameters a(s) similar or equal to root 2a, b(s) similar or equal to root 2a and c(s) = c. This new Ru1222 superstructure distortion from tetragonal symmetry is proposed to have a positive correlation with the superconductivity variation of these compounds. The more the distortion towards orthorhombic symmetry, the higher the critical superconducting temperature these compounds can achieve. The T(c)(0) of RuSr(2)Gd(1.8-x)Y(0.2)Ce(x)Cu(2)O(10-delta) (x = 0.85-0.55) increases monotonically from 4 to 16 K when x decreases from 0.85 to 0.70, then RuSr(2)Gd(2)Cu(2)O(8) defects emerge and the T(c) decreases with decreasing x. Ru1212 defects are observed to intergrow epitaxially with the Ru1222 structure as lamellas along the c-axis in RuSr(2)Gd(1.4)Ce(0.6)Cu(2)O(10-delta). Although Ru1212 is a superconductor, the intergrowth severely restrains its superconductivity.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Bristol	Editor
Language		Wos	000284308000013	Publication Date	2010-10-09
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0953-2048;1361-6668;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.878	Times cited	1	Open Access
Notes	Fwo; Esteem 026019			Approved	Most recent IF: 2.878; 2010 IF: 2.402
Call Number	UA @ lucian @ c:irua:95553			Serial	3385
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Author	Schryvers, D.; Yandouzi, M.; Toth, L.
Title	TEM study of B2 + L1₂ decomposition in a nanoscale Ni-rich Ni-Al film			Type	A1 Journal article
Year	1998	Publication	Thin solid films : an international journal on the science and technology of thin and thick films	Abbreviated Journal	Thin Solid Films
Volume	326	Issue		Pages	126-133
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author				Thesis
Publisher		Place of Publication	Amsterdam : Elsevier	Editor
Language		Wos	000075693800017	Publication Date	2002-07-26
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0040-6090;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	1.879	Times cited	1	Open Access
Notes				Approved	Most recent IF: 1.879; 1998 IF: 1.019
Call Number	UA @ lucian @ c:irua:48371			Serial	3487
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Author	Conard, T.; de Witte, H.; Loo, R.; Verheyen, P.; Vandervorst, W.; Caymax, M.; Gijbels, R.
Title	XPS and TOFSIMS studies of shallow Si/Si_1-xGe_x/Si layers			Type	A1 Journal article
Year	1999	Publication	Thin solid films : an international journal on the science and technology of thin and thick films	Abbreviated Journal	Thin Solid Films
Volume	343/344	Issue		Pages	583-586
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author				Thesis
Publisher		Place of Publication	Amsterdam : Elsevier	Editor
Language		Wos	000081103100149	Publication Date	2002-07-26
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0040-6090;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	1.879	Times cited	1	Open Access
Notes				Approved	Most recent IF: 1.879; 1999 IF: 1.101
Call Number	UA @ lucian @ c:irua:24934			Serial	3926
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