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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	Bafekry, A.; Akgenc, B.; Shayesteh, S.F.; Mortazavi, B.
	Title	Tunable electronic and magnetic properties of graphene/carbon-nitride van der Waals heterostructures			Type	A1 Journal article
	Year	2020	Publication	Applied Surface Science	Abbreviated Journal	Appl Surf Sci
	Volume	505	Issue		Pages	144450-144459
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	In this paper, we explore the electronic properties of C3N, C3N4 and C4N3 and graphene (Gr) van der Waals heterostructures by conducing extensive first-principles calculations. The acquired results show that these heterostructures can show diverse electronic properties, such as the metal (Gr on C3N), semiconductor with narrow band gap (Gr on C3N4) and ferromagnetic-metal (Gr on C4N3). We furthermore explored the effect of vacancies, atom substitution, topological, antisite and Stone-Wales defects on the structural and electronic properties of considered heterostructures. Our results show that the vacancy defects introduce localized states near the Fermi level and create a local magnetic moment. The Gr/C3N heterostructures with the single and double vacancy defects exhibit a ferromagnetic-metal, while Stone-Wales defects show an indirect semiconductor with the band gap of 0.2 eV. The effects of adsorption and insertion of O, C, Be, Cr, Fe and Co atoms on the electronic properties of Gr/C3N have been also elaborately studied. Our results highlight that the electronic and magnetic properties of garphene/carbon-nitride lateral heterostructures can be effectively modified by point defects and impurities.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000510846500052	Publication Date	2019-11-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0169-4332	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.7	Times cited	26	Open Access
	Notes	; ;			Approved	Most recent IF: 6.7; 2020 IF: 3.387
	Call Number	UA @ admin @ c:irua:167732			Serial	6638
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	Author	Yu, W.-B.; Hu, Z.-Y.; Jin, J.; Yi, M.; Yan, M.; Li, Y.; Wang, H.-E.; Gao, H.-X.; Mai, L.-Q.; Hasan, T.; Xu, B.-X.; Peng, D.-L.; Van Tendeloo, G.; Su, B.-L.
	Title	Unprecedented and highly stable lithium storage capacity of (001) faceted nanosheet-constructed hierarchically porous TiO₂/rGO hybrid architecture for high-performance Li-ion batteries			Type	A1 Journal article
	Year	2020	Publication	National Science Review	Abbreviated Journal	Natl Sci Rev
	Volume	7	Issue	6	Pages	1046-1058
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Active crystal facets can generate special properties for various applications. Herein, we report a (001) faceted nanosheet-constructed hierarchically porous TiO2/rGO hybrid architecture with unprecedented and highly stable lithium storage performance. Density functional theory calculations show that the (001) faceted TiO2 nanosheets enable enhanced reaction kinetics by reinforcing their contact with the electrolyte and shortening the path length of Li+ diffusion and insertion-extraction. The reduced graphene oxide (rGO) nanosheets in this TiO2/rGO hybrid largely improve charge transport, while the porous hierarchy at different length scales favors continuous electrolyte permeation and accommodates volume change. This hierarchically porous TiO2/rGO hybrid anode material demonstrates an excellent reversible capacity of 250 mAh g(-1) at 1 C (1 C = 335 mA g(-1)) at a voltage window of 1.0-3.0 V. Even after 1000 cycles at 5 C and 500 cycles at 10 C, the anode retains exceptional and stable capacities of 176 and 160 mAh g(-1), respectively. Moreover, the formed Li2Ti2O4 nanodots facilitate reversed Li+ insertion-extraction during the cycling process. The above results indicate the best performance of TiO2-based materials as anodes for lithium-ion batteries reported in the literature.
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	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000544175300013	Publication Date	2020-02-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2095-5138	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	20.6	Times cited	3	Open Access	OpenAccess
	Notes	; This work was supported by the National Key R&D Program of China (2016YFA0202602 and 2016YFA0202603), the National Natural Science Foundation of China (U1663225) and Program for Changjiang Scholars and Innovative Research Team in University (IRT_15R52). ;			Approved	Most recent IF: 20.6; 2020 IF: 8.843
	Call Number	UA @ admin @ c:irua:170776			Serial	6648
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	Author	Baskurt, M.; Eren, I.; Yagmurcukardes, M.; Sahin, H.
	Title	Vanadium dopant- and strain-dependent magnetic properties of single-layer VI₃			Type	A1 Journal article
	Year	2020	Publication	Applied Surface Science	Abbreviated Journal	Appl Surf Sci
	Volume	508	Issue		Pages	144937-6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Motivated by the recent synthesis of two-dimensional VI3 [Kong et al. Adv. Mater. 31, 1808074 (2019)], we investigate the effect of V doping on the magnetic and electronic properties of monolayer VI3 by means of first-principles calculations. The dynamically stable semiconducting ferromagnetic (FM) and antiferromagnetic (AFM) phases of monolayer VI3 are found to display distinctive vibrational features that the magnetic state can be distinguished by Raman spectroscopy. In order to clarify the effect of experimentally observed excessive V atoms, the magnetic and electronic properties of the V-doped VI3 structures are analyzed. Our findings indicate that partially doped VI3 structures display FM ground state while the fully-doped structure exhibits AFM ground state. The fully-doped monolayer VI3 is found to be a semiconductor with a relatively larger band gap than its pristine structure. In addition, strain-dependent electronic and magnetic properties of fully- and partially-doped VI3 structures reveal that pristine monolayer displays a FM-to-AFM phase transition with robust semiconducting nature for 5% of compressive strain, while fully-doped monolayer VI3 structure possesses AFM-to-FM semiconducting transition at tensile strains larger than 4%. In contrast, the partially-doped VI3 monolayers are found to display robust FM ground state under biaxial strain. Its dopant and strain tunable electronic and magnetic nature makes monolayer VI3 a promising material for applications in nanoscale spintronic devices.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000516818700040	Publication Date	2019-12-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0169-4332	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.7	Times cited	10	Open Access
	Notes	; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. Acknowledges financial support from the TUBITAK under the project number 117F095. H.S. acknowledges support from Turkish Academy of Sciences under the GEBIP program. This work is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ;			Approved	Most recent IF: 6.7; 2020 IF: 3.387
	Call Number	UA @ admin @ c:irua:168595			Serial	6652
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	Author	Van Hoecke, L.; Laffineur, L.; Campe, R.; Perreault, P.; Verbruggen, S.W.; Lenaerts, S.
	Title	Challenges in the use of hydrogen for maritime applications			Type	A1 Journal Article;Review article, Hydrogen Production, Hydrogen Storage, Maritime Applications
	Year	2021	Publication	Energy & Environmental Science	Abbreviated Journal	Energ Environ Sci
	Volume		Issue		Pages
	Keywords	A1 Journal Article;Review article, Hydrogen Production, Hydrogen Storage, Maritime Applications; Sustainable energy, air and water technology (DuEL)
	Abstract	Maritime shipping is a key factor that enables the global economy, however the pressure it exerts on the environment is increasing rapidly. In order to reduce the emissions of harmful greenhouse gasses, the search is on for alternative fuels for the maritime shipping industry. In this work the usefulness of hydrogen and hydrogen carriers is being investigated as a fuel for sea going ships. Due to the low volumetric energy density of hydrogen under standard conditions, the need for efficient storage of this fuel is high. Key processes in the use of hydrogen are discussed, starting with the production of hydrogen from fossil and renewable sources. The focus of this review is different storage methods, and in this work we discuss the storage of hydrogen at high pressure, in liquefied form at cryogenic temperatures and bound to liquid or solid-state carriers. In this work a theoretical introduction to different hydrogen storage methods precedes an analysis of the energy-efficiency and practical storage density of the carriers. In the final section the major challenges and hurdles for the development of hydrogen storage for the maritime industry are discussed. The most likely challenges will be the development of a new bunkering infrastructure and suitable monitoring of the safety to ensure safe operation of these hydrogen carriers on board the ship.
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	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000621101100009	Publication Date	2021-01-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1754-5692	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	29.518	Times cited		Open Access	OpenAccess
	Notes	For the completion of this work we would like to thank, Compagnie Maritime Belge for initial funding 9 of the research into maritime hydrogen storage and the University of Antwerp for funding of the 10 Doctoral Project that allowed for the completion of this work.			Approved	Most recent IF: 29.518
	Call Number	DuEL @ duel @c:irua:174754			Serial	6668
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	Author	Thomassen, G.; Huysveld, S.; Boone, L.; Vilain, C.; Geysen, D.; Huysman, K.; Cools, B.; Dewulf, J.
	Title	The environmental impact of household's water use: A case study in Flanders assessing various water sources, production methods and consumption patterns			Type	A1 Journal Article
	Year	2021	Publication	Science Of The Total Environment	Abbreviated Journal	Sci Total Environ
	Volume	770	Issue		Pages	145398
	Keywords	A1 Journal Article; Engineering Management (ENM) ;
	Abstract	Responsible water use and sustainable consumption and production are high on the agenda of multiple stakeholders. Different water supply sources are available, including tap water, bottled water, domestically harvested rainwater and domestically abstracted groundwater. The extent to which each of these water supply sources is used, differs over consumption patterns in various housing types, being detached houses, semi-detached houses, terraced houses and apartments. To identify the environmental impact of a household's water use and potential environmental impact reduction strategies, a holistic assessment is required. In this paper, the environmental impact of a household's water use in Flanders (Belgium) was assessed including four different water supply sources and four different consumption patterns by means of a life cycle assessment. The outcomes of this study reveal a large difference between the environmental impact of bottled water use, having a global warming impact of 259 kg CO2-eq.·m−3, compared to the other three supply sources. Tap water supply had the lowest global warming impact (0.17 kg CO2-eq.·m−3) and resource footprint (6.51 MJex·m−3) of all water supply sources. The most efficient strategy to reduce the environmental impact of household's water use is to shift the water consumption from bottled to tap water consumption. This would induce a reduction in global warming impact of the water use of an inhabitant in Flanders by on average 80%, saving 0.1 kg CO2-eq.·day−1 in case of groundwater-based tap water. These results provide insights into sustainable water use for multiple consumption patterns and can be used to better frame the environmental benefits of tap water use.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2021-01-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0048-9697	ISBN		Additional Links
	Impact Factor	4.9	Times cited		Open Access	Not_Open_Access
	Notes	This research did not receive any specific grant from funding agencies in the public, commercial, or not-for-profit sectors. The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.			Approved	Most recent IF: 4.9
	Call Number	ENM @ enm @			Serial	6681
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	Author	Obeid, M.M.; Bafekry, A.; Rehman, S.U.; Nguyen, C., V.
	Title	A type-II GaSe/HfS₂ van der Waals heterostructure as promising photocatalyst with high carrier mobility			Type	A1 Journal article
	Year	2020	Publication	Applied Surface Science	Abbreviated Journal	Appl Surf Sci
	Volume	534	Issue		Pages	147607
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	In this paper, the electronic, optical, and photocatalytic properties of GaSe/HfS2 heterostructure are studied via first-principles calculations. The stability of the vertically stacked heterobilayers is validated by the binding energy, phonon spectrum, and ab initio molecular dynamics simulation. The results reveal that the most stable GaSe/HfS2 heterobilayer retains a type-II alignment with an indirect bandgap 1.40 eV. As well, the results also show strong optical absorption intensity in the studied heterostructure (1.8 x 10(5) cm(-1)). The calculated hole mobility is 1376 cm(2) V-1 s(-1), while electron mobility reaches 911 cm(2) V-1 s(-1) along the armchair and zigzag directions. By applying an external electric field, the bandgap and band offset of the designed heterostructure can be effectively modified. Remarkably, a stronger external electric field can create nearly free electron states in the vicinity of the bottom of the conduction band, which induces indirect-to-direct bandgap transition as well as a semiconductor-to-metal transition. In contrast, the electronic properties of GaSe/HfS2 heterostructure are predicted to be insensitive to biaxial strain. The current work reveals that GaSe/HfS2 heterostructure is a promising candidate as a novel photocatalytic material for hydrogen generation in the visible range.
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	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000582367700045	Publication Date	2020-08-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0169-4332	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.7	Times cited	4	Open Access
	Notes	; ;			Approved	Most recent IF: 6.7; 2020 IF: 3.387
	Call Number	UA @ admin @ c:irua:174301			Serial	6682
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	Author	Foumani, A.A.; Forster, D.J.; Ghorbanfekr, H.; Weber, R.; Graf, T.; Niknam, A.R.
	Title	Atomistic simulation of ultra-short pulsed laser ablation of metals with single and double pulses : an investigation of the re-deposition phenomenon			Type	A1 Journal article
	Year	2021	Publication	Applied Surface Science	Abbreviated Journal	Appl Surf Sci
	Volume	537	Issue		Pages	147775
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The demand for higher throughput in the processing of materials with ultra-short pulsed lasers has motivated studies on the use of double pulses (DP). It has been observed in such studies that at relatively high time delays between the two pulses, the ablated volume is lower than that for a single pulse (SP). This has been attributed to the shielding of the second pulse and the re-deposition of the material removed by the first pulse. The investigation of re-deposition in copper with the aid of atomistic simulations is the main objective of this study. Nevertheless, a computational investigation of SP-ablation and experimental measurement of the SP-ablation depths and threshold fluence are also covered. The applied computational apparatus comprises a combination of molecular dynamics with the two-temperature model and the Helmholtz wave equation. The analysis of the simulation results shows that the derived quantities like the SP-ablation threshold fluence and the ratio of DP ablation depth to SP-ablation depth are in agreement with the experimental values. An important finding of this study is that the characteristics of the re-deposition process are highly dependent on the fluence.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000582798700006	Publication Date	2020-09-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0169-4332	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.387	Times cited	2	Open Access	Not_Open_Access
	Notes	; The authors thank the Center for High-Performance Computing at Shahid Beheshti University of Iran (SARMAD) for making available the computational resources required for this work. ;			Approved	Most recent IF: 3.387
	Call Number	UA @ admin @ c:irua:174299			Serial	6683
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	Author	Bafekry, A.; Yagmurcukardes, M.; Shahrokhi, M.; Ghergherehchi, M.; Kim, D.; Mortazavi, B.
	Title	Electro-optical and mechanical properties of Zinc antimonide (ZnSb) monolayer and bilayer : a first-principles study			Type	A1 Journal article
	Year	2021	Publication	Applied Surface Science	Abbreviated Journal	Appl Surf Sci
	Volume	540	Issue	1	Pages	148289
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Latest synthesis of ZnSb monolayer, encouraged us to conduct density functional theory (DFT) simulations in order to study the structural, magnetic, electronic/optical and mechanical features of the sp2-hybridized honeycomb ZnSb monolayer (ML-ZnSb) and bilayer (BL-ZnSb). Our structural optimizations reveal that ML-ZnSb is an anisotropic hexagonal structure while BL-ZnSb is composed of shifted ZnSb layers which are covalently binded. ML-ZnSb is found to be a ferromagnetic metal, in contrast BL-ZnSb has a non-magnetic indirect band gap semiconducting ground state. For the in-plane polarization, first absorption peak of ML-ZnSb and BL-ZnSb confirm the absorbance of the light within the infrared domain wand visible range, respectively. Moreover, our results reveal that the layer-layer chemical bonding in BL-ZnSb significantly enhances the mechanical response of ML-ZnSb whose in-plane stiness is the smallest among all 2D materials (2DM). Notably, the strong in-plane anisotropy of ML-ZnSb in its stiness reduces in BL-ZnSb.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000599883200005	Publication Date	2020-11-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0169-4332	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.387	Times cited	1	Open Access	Not_Open_Access
	Notes	; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). Computational resources were provided by the Flemish Supercomputer Center (VSC). M.Y. is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship. B.M. and X. Z. appreciate the funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germanys Excellence Strategy within the Cluster of Excellence PhoenixD (EXC 2122, Project ID 390833453). ;			Approved	Most recent IF: 3.387
	Call Number	UA @ admin @ c:irua:174956			Serial	6688
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	Author	Kahraman, Z.; Baskurt, M.; Yagmurcukardes, M.; Chaves, A.; Sahin, H.
	Title	Stable Janus TaSe₂ single-layers via surface functionalization			Type	A1 Journal article
	Year	2021	Publication	Applied Surface Science	Abbreviated Journal	Appl Surf Sci
	Volume	538	Issue		Pages	148064
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	First-principles calculations are performed in order to investigate the formation of Janus structures of single layer TaSe2. The structural optimizations and phonon band dispersions reveal that the formation and stability of hydrogenated (HTaSe2), fluorinated (FTaSe2), and the one-side hydrogenated and one-side fluorinated (Janus-HTaSe2F) single-layers are feasible in terms of their phonon band dispersions. It is shown that bare metallic single-layer TaSe2 can be turned into a semiconductor as only one of its surface is functionalized while it remains as a metal via its two surfaces functionalization. In addition, the semiconducting nature of single-layers HTaSe2 and FTaSe2 and the metallic behavior of Janus TaSe2 are found to be robust under applied uniaxal strains. Further analysis on piezoelectric properties of the predicted single-layers reveal the enhanced in-plane and out of-plane piezoelectricity via formed Janus-HTaSe2F. Our study indicates that single-layer TaSe2 is a suitable host material for surface functionalization via fluorination and hydrogenation which exhibit distinctive electronic and vibrational properties.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000595860900001	Publication Date	2020-10-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0169-4332	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.387	Times cited		Open Access	Not_Open_Access
	Notes	; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid eInfrastructure). HS acknowledges support from Turkiye Bilimler Akademisi -Turkish Academy of Sciences under the GEBIP program. This work was supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ;			Approved	Most recent IF: 3.387
	Call Number	UA @ admin @ c:irua:174964			Serial	6699
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	Author	Van Dijck, J.G.; Mampuys, P.; Ching, H.Y.V.; Krishnan, D.; Baert, K.; Hauffman, T.; Verbeeck, J.; Van Doorslaer, S.; Maes, B.U.W.; Dorbec, M.; Buekenhoudt, A.; Meynen, V.
	Title	Synthesis – properties correlation and the unexpected role of the titania support on the Grignard surface modification			Type	A1 Journal article
	Year	2020	Publication	Applied Surface Science	Abbreviated Journal	Appl Surf Sci
	Volume	527	Issue		Pages	146851-17
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Organic synthesis (ORSY); Applied Electrochemistry & Catalysis (ELCAT)
	Abstract	While the impact of reaction conditions on surface modification with Grignard reactants has been studied for silica supports, such information is absent for metal oxides like titania. Differences between modified titania and silica are observed, making it paramount to explore the reaction mechanism. A detailed study on the impact of the reaction conditions is reported, with a focus on the chain length of the alkyl Grignard reactant, its concentration, the reaction time and temperature, and the type of titania support. While the increase in the chain length reduces the amount of organic groups on the surface, the concentration, time and temperature show little/no influence on the modification degree. However, the type of titania support used and the percentage of amorphous phase present has a significant impact on the amount of grafted groups. Even though the temperature and concentration show no clear impact on the modification degree, they can cause changes in the surface hydroxyl population, which are thus not linked to the modification degree. Furthermore, the titania support is reduced during functionalization. This reduction dependents on the reaction temperature, the titania support and the chain length of the Grignard reactant. Similarly, this reduction is not linked to the modification degree.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000564205300003	Publication Date	2020-06-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0169-4332	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.7	Times cited	5	Open Access	OpenAccess
	Notes	; The FWO (Fonds Wetenschappelijk Onderzoek) is gratefully acknowledged for the VITO-FWO grant of fellow Jeroen G. Van Dijck (11W9416N) and the financial support granted in project GO12712N. The E.U. is acknowledged for H.Y. Vincent Ching's H2020-MSCA-IF (grant number 792946, iSPY). Dileep Krishnan and Johan Verbeeck acknowledge funding from GOA project “solarpaint” of the University of Antwerp. ;			Approved	Most recent IF: 6.7; 2020 IF: 3.387
	Call Number	UA @ admin @ c:irua:169722			Serial	6712
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	Author	Zhao, H.; Li, C.-F.; Yong, X.; Kumar, P.; Palma, B.; Hu, Z.-Y.; Van Tendeloo, G.; Siahrostami, S.; Larter, S.; Zheng, D.; Wang, S.; Chen, Z.; Kibria, M.G.; Hu, J.
	Title	Coproduction of hydrogen and lactic acid from glucose photocatalysis on band-engineered Zn1-xCdxS homojunction			Type	A1 Journal article
	Year	2021	Publication	iScience	Abbreviated Journal
	Volume	24	Issue	2	Pages	102109
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Photocatalytic transformation of biomass into value-added chemicals coupled with co-production of hydrogen provides an explicit route to trap sunlight into the chemical bonds. Here, we demonstrate a rational design of Zn1-xCdxS solidsolution homojunction photocatalyst with a pseudo-periodic cubic zinc blende (ZB) and hexagonal wurtzite (WZ) structure for efficient glucose conversion to simultaneously produce hydrogen and lactic acid. The optimized Zn0.6Cd0.4S catalyst consists of a twinning superlattice, has a tuned bandgap, and displays excellent efficiency with respect to hydrogen generation (690 +/- 27.6 mu mol.h(-1).g(cat).(-1)), glucose conversion (similar to 90%), and lactic acid selectivity (similar to 87%) without any co-catalyst under visible light irradiation. The periodic WZ/ZB phase in twinning superlattice facilitates better charge separation, while superoxide radical (center dot O-2(-)) and photogenerated holes drive the glucose transformation and water oxidation reactions, respectively. This work demonstrates that rational photocatalyst design could realize an efficient and concomitant production of hydrogen and value-added chemicals from glucose photocatalysis.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000621266700080	Publication Date	2021-01-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2589-0042	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:176744			Serial	6720
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	Author	Volykhov, A.A.; Frolov, A.S.; Neudachina, V.S.; Vladimirova, N.V.; Gerber, E.; Callaert, C.; Hadermann, J.; Khmelevsky, N.O.; Knop-Gericke, A.; Sanchez-Barriga, J.; Yashina, L.V.
	Title	Impact of ordering on the reactivity of mixed crystals of topological insulators with anion substitution: Bi₂SeTe₂ and Sb₂SeTe₂			Type	A1 Journal article
	Year	2021	Publication	Applied Surface Science	Abbreviated Journal	Appl Surf Sci
	Volume	541	Issue		Pages	148490
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Three-dimensional topological insulators are exotic materials with unique properties. Tetradymite type binary chalcogenides of bismuth and antimony, as well as their mixed crystals, belong to prototypical TIs. Potential device applications of these materials require in-depth knowledge of their stability in the ambient atmosphere and other media maintained during their processing. Here we investigated the reactivity of mixed crystals with anion substitution, Bi-2(Se1-xTex)(3) and Sb2(Se1-xTex)(3), towards molecular oxygen using both in situ and ex situ X-ray photoelectron spectroscopy. The results indicate that, in contrast to cation substitution, partial substitution of tellurium by selenium atoms leads to anomalously high surface reactivity, which even exceeds that of the most reactive binary constituent. We attribute this effect to anion ordering that essentially modifies the bond geometry, especially the respective bond angles as modeled by DFT.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000608492900003	Publication Date	2020-11-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0169-4332	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.387	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 3.387
	Call Number	UA @ admin @ c:irua:176067			Serial	6728
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	Author	Bengtson, C.; Bogaerts, A.
	Title	The Quest to Quantify Selective and Synergistic Effects of Plasma for Cancer Treatment: Insights from Mathematical Modeling			Type	A1 Journal article
	Year	2021	Publication	International Journal Of Molecular Sciences	Abbreviated Journal	Int J Mol Sci
	Volume	22	Issue	9	Pages	5033
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Cold atmospheric plasma (CAP) and plasma-treated liquids (PTLs) have recently become a promising option for cancer treatment, but the underlying mechanisms of the anti-cancer effect are still to a large extent unknown. Although hydrogen peroxide () has been recognized as the major anti-cancer agent of PTL and may enable selectivity in a certain concentration regime, the co-existence of nitrite can create a synergistic effect. We develop a mathematical model to describe the key species and features of the cellular response toward PTL. From the numerical solutions, we define a number of dependent variables, which represent feasible measures to quantify cell susceptibility in terms of the membrane diffusion rate constant and the intracellular catalase concentration. For each of these dependent variables, we investigate the regimes of selective versus non-selective, and of synergistic versus non-synergistic effect to evaluate their potential role as a measure of cell susceptibility. Our results suggest that the maximal intracellular concentration, which in the selective regime is almost four times greater for the most susceptible cells compared to the most resistant cells, could be used to quantify the cell susceptibility toward exogenous . We believe our theoretical approach brings novelty to the field of plasma oncology, and more broadly, to the field of redox biology, by proposing new ways to quantify the selective and synergistic anti-cancer effect of PTL in terms of inherent cell features.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000650366900001	Publication Date	2021-05-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1422-0067	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.226	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 3.226
	Call Number	PLASMANT @ plasmant @c:irua:178123			Serial	6757
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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	Rouwenhorst, K.H.R.; Jardali, F.; Bogaerts, A.; Lefferts, L.
	Title	From the Birkeland–Eyde process towards energy-efficient plasma-based NO_Xsynthesis: a techno-economic analysis			Type	A1 Journal article
	Year	2021	Publication	Energy & Environmental Science	Abbreviated Journal	Energ Environ Sci
	Volume	14	Issue	5	Pages	2520-2534
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Plasma-based NO<sub>X</sub>synthesis<italic>via</italic>the Birkeland–Eyde process was one of the first industrial nitrogen fixation methods. However, this technology never played a dominant role for nitrogen fixation, due to the invention of the Haber–Bosch process. Recently, nitrogen fixation by plasma technology has gained significant interest again, due to the emergence of low cost, renewable electricity. We first present a short historical background of plasma-based NO<sub>X</sub>synthesis. Thereafter, we discuss the reported performance for plasma-based NO<sub>X</sub>synthesis in various types of plasma reactors, along with the current understanding regarding the reaction mechanisms in the plasma phase, as well as on a catalytic surface. Finally, we benchmark the plasma-based NO<sub>X</sub>synthesis process with the electrolysis-based Haber–Bosch process combined with the Ostwald process, in terms of the investment cost and energy consumption. This analysis shows that the energy consumption for NO<sub>X</sub>synthesis with plasma technology is almost competitive with the commercial process with its current best value of 2.4 MJ mol N<sup>−1</sup>, which is required to decrease further to about 0.7 MJ mol N<sup>−1</sup>in order to become fully competitive. This may be accomplished through further plasma reactor optimization and effective plasma–catalyst coupling.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000639255800001	Publication Date	2021-03-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1754-5692	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	29.518	Times cited		Open Access	OpenAccess
	Notes	H2020 European Research Council; Horizon 2020, 810182 ; Ministerie van Economische Zaken en Klimaat; This research was supported by the TKI-Energie from Toeslag voor Topconsortia voor Kennis en Innovatie (TKI) from the Ministry of Economic Aﬀairs and Climate Policy, the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023), and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project).			Approved	Most recent IF: 29.518
	Call Number	PLASMANT @ plasmant @c:irua:178173			Serial	6763
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	Author	Kaushik, N.K.; Bekeschus, S.; Tanaka, H.; Lin, A.; Choi, E.H.
	Title	Plasma medicine technologies			Type	Editorial
	Year	2021	Publication	Applied Sciences-Basel	Abbreviated Journal	Appl Sci-Basel
	Volume	11	Issue	10	Pages	4584-4
	Keywords	Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	This Special Issue, entitled “Plasma Medicine Technologies”, covers the latest remarkable developments in the field of plasma bioscience and medicine. Plasma medicine is an interdisciplinary field that combines the principles of plasma physics, material science, bioscience, and medicine, towards the development of therapeutic strategies. A study on plasma medicine has yielded the development of new treatment opportunities in medical and dental sciences. An important aspect of this issue is the presentation of research underlying new therapeutic methods that are useful in medicine, dentistry, sterilization, and, in the current scenario, that challenge perspectives in biomedical sciences. This issue is focused on basic research on the characterization of the bioplasma sources applicable to living cells, especially to the human body, and fundamental research on the mutual interactions between bioplasma and organic–inorganic liquids, and bio or nanomaterials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000662527200001	Publication Date	2021-05-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2076-3417	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.679	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 1.679
	Call Number	UA @ admin @ c:irua:178139			Serial	6771
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	Author	Akamine, H.; Mitsuhara, M.; Nishida, M.; Samaee, V.; Schryvers, D.; Tsukamoto, G.; Kunieda, T.; Fujii, H.
	Title	Precipitation behaviors in Ti-2.3 Wt Pct Cu alloy during isothermal and two-step aging			Type	A1 Journal article
	Year	2021	Publication	Metallurgical And Materials Transactions A-Physical Metallurgy And Materials Science	Abbreviated Journal	Metall Mater Trans A
	Volume	52	Issue		Pages	2760-2772
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Time evolution of precipitates related to age-hardening in Ti-2.3 wt pct Cu alloys was investigated by electron microscopy. In isothermal aging at 723 K, the hardness increases continuously owing to precipitation strengthening, whereas in two-step aging where the aging temperature is switched from 673 K to 873 K after 100 hours, the hardness is found to drastically drop after the aging temperature switches. In isothermal aging, metastable and stable precipitates are independently nucleated, whereas characteristic V-shaped clusters of precipitates are observed during the two-step aging. It is revealed by atomic-scale observations that the V-shaped clusters are composed of metastable and stable precipitates and each type of precipitate has a different orientation relationship with the alpha phase: (10 (3) over bar)//(0001)(alpha) and [0 (1) over bar0]//respectively. The drop in hardness during two-step aging can be explained by a synergistic effect of decreased precipitation strengthening and solid solution strengthening. (C) The Minerals, Metals & Materials Society and ASM International 2021
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000644823000001	Publication Date	2021-04-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1073-5623	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	1.874	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 1.874
	Call Number	UA @ admin @ c:irua:178222			Serial	6786
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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	Jannis, D.; Müller-Caspary, K.; Béché, A.; Verbeeck, J.
	Title	Coincidence Detection of EELS and EDX Spectral Events in the Electron Microscope			Type	A1 Journal article
	Year	2021	Publication	Applied Sciences-Basel	Abbreviated Journal	Appl Sci-Basel
	Volume	11	Issue	19	Pages	9058
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Recent advances in the development of electron and X-ray detectors have opened up the possibility to detect single events from which its time of arrival can be determined with nanosecond resolution. This allows observing time correlations between electrons and X-rays in the transmission electron microscope. In this work, a novel setup is described which measures individual events using a silicon drift detector and digital pulse processor for the X-rays and a Timepix3 detector for the electrons. This setup enables recording time correlation between both event streams while at the same time preserving the complete conventional electron energy loss (EELS) and energy dispersive X-ray (EDX) signal. We show that the added coincidence information improves the sensitivity for detecting trace elements in a matrix as compared to conventional EELS and EDX. Furthermore, the method allows the determination of the collection efficiencies without the use of a reference sample and can subtract the background signal for EELS and EDX without any prior knowledge of the background shape and without pre-edge fitting region. We discuss limitations in time resolution arising due to specificities of the silicon drift detector and discuss ways to further improve this aspect.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000710160300001	Publication Date	2021-09-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2076-3417	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.679	Times cited	9	Open Access	OpenAccess
	Notes	Fonds Wetenschappelijk Onderzoek, G042920 ; Horizon 2020 Framework Programme, 101017720 ; Helmholtz-Fonds, VH-NG-1317 ;			Approved	Most recent IF: 1.679
	Call Number	EMAT @ emat @c:irua:183336			Serial	6821
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	Author	Wang, L.; Li, Y.; Yang, X.-Y.; Zhang, B.-B.; Ninane, N.; Busscher, H.J.; Hu, Z.-Y.; Delneuville, C.; Jiang, N.; Xie, H.; Van Tendeloo, G.; Hasan, T.; Su, B.-L.
	Title	Single-cell yolk-shell nanoencapsulation for long-term viability with size-dependent permeability and molecular recognition			Type	A1 Journal article
	Year	2021	Publication	National Science Review	Abbreviated Journal	Natl Sci Rev
	Volume	8	Issue	4	Pages
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Like nanomaterials, bacteria have been unknowingly used for centuries. They hold significant economic potential for fuel and medicinal compound production. Their full exploitation, however, is impeded by low biological activity and stability in industrial reactors. Though cellular encapsulation addresses these limitations, cell survival is usually compromised due to shell-to-cell contacts and low permeability. Here, we report ordered packing of silica nanocolloids with organized, uniform and tunable nanoporosities for single cyanobacterium nanoencapsulation using protamine as an electrostatic template. A space between the capsule shell and the cell is created by controlled internalization of protamine, resulting in a highly ordered porous shell-void-cell structure formation. These unique yolk-shell nano structures provide long-term cell viability with superior photosynthetic activities and resistance in harsh environments. In addition, engineering the colloidal packing allows tunable shell-pore diameter for size-dependent permeability and introduction of new functionalities for specific molecular recognition. Our strategy could significantly enhance the activity and stability of cyanobacteria for various nanobiotechnological applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000651827200002	Publication Date	2020-05-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2095-5138	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.843	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 8.843
	Call Number	UA @ admin @ c:irua:179085			Serial	6885
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	Author	Zhao, H.; Li, C.-F.; Hu, Z.-Y.; Liu, J.; Li, Y.; Hu, J.; Van Tendeloo, G.; Chen, L.-H.; Su, B.-L.
	Title	Size effect of bifunctional gold in hierarchical titanium oxide-gold-cadmium sulfide with slow photon effect for unprecedented visible-light hydrogen production			Type	A1 Journal article
	Year	2021	Publication	Journal Of Colloid And Interface Science	Abbreviated Journal	J Colloid Interf Sci
	Volume	604	Issue		Pages	131-139
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Gold nanoparticles (Au NPs) with surface plasmonic resonance (SPR) effect and excellent internal electron transfer ability have widely been combined with semiconductors for photocatalysis. However, the in-depth effects of Au NPs in multicomponent photocatalysts have not been completely understood. Herein, ternary titanium oxide-gold-cadmium sulfide (TiO2-Au-CdS, TAC) photocatalysts, based on hierarchical TiO2 inverse opal photonic crystal structure with different Au NPs sizes have been designed to reveal the SPR effect and internal electron transfer of Au NPs in the presence of slow photon effect. It appears that the SPR effect and internal electron transfer ability of Au NPs, depending on their sizes, play a synergistic effect on the photocatalytic enhancement. The ternary TAC-10 photocatalyst with – 10 nm Au NPs demonstrates an unprecedented hydrogen evolution rate of 47.6 mmolh-1g 1 under visible-light, demonstrating- 48% enhancement comparing to the sample without slow photon effect. In particular, a 9.83% apparent quantum yield under 450 nm monochromatic light is achieved for TAC-10. A model is proposed and finite-difference time-domain (FDTD) simulations reveal the size influence of Au NPs in ternary TAC photocatalysts. This work suggests that the rational design of bifunctional Au NPs coupling with slow photon effect could largely promote hydrogen production from visible-light driven water splitting. (c) 2021 Elsevier Inc. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000704428600004	Publication Date	2021-07-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9797	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.233	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 4.233
	Call Number	UA @ admin @ c:irua:182531			Serial	6886
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	Author	Penders, A.; Konstantinovic, M.J.; Van Renterghem, W.; Bosch, R.W.; Schryvers, D.
	Title	TEM investigation of SCC crack tips in high Si stainless steel tapered specimens			Type	A1 Journal article
	Year	2021	Publication	Corrosion Engineering Science And Technology	Abbreviated Journal	Corros Eng Sci Techn
	Volume		Issue		Pages
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The stress corrosion cracking (SCC) mechanism is investigated in high Si duplex stainless steel in a simulated PWR environment based on TEM analysis of FIB-extracted SCC crack tips. The microstructural investigation in the near vicinity of SCC crack tips illustrates a strain-rate dependence in SCC mechanisms. Detailed analysis of the crack tip morphology, that includes crack tip oxidation and surrounding deformation field, indicates the existence of an interplay between corrosion- and deformation-driven failure as a function of the strain rate. Slow strain-rate crack tips exhibit a narrow cleavage failure which can be linked to the film-induced failure mechanism, while rounded shaped crack tips for faster strain rates could be related to the strain-induced failure. As a result, two nominal strain-rate-dependent failure regimes dominated either by corrosion or deformation-driven cracking mechanisms can be distinguished.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000695956400001	Publication Date	2021-09-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1478-422x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	0.879	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 0.879
	Call Number	UA @ admin @ c:irua:181533			Serial	6892
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	Author	Rouwenhorst, K.H.R.; Jardali, F.; Bogaerts, A.; Lefferts, L.
	Title	Correction: From the Birkeland–Eyde process towards energy-efficient plasma-based NO_Xsynthesis: a techno-economic analysis			Type	A1 Journal Article
	Year	2023	Publication	Energy & Environmental Science	Abbreviated Journal	Energy Environ. Sci.
	Volume	16	Issue	12	Pages	6170-6173
	Keywords	A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
	Abstract	Correction for ‘From the Birkeland–Eyde process towards energy-efficient plasma-based NO<sub><italic>X</italic></sub>synthesis: a techno-economic analysis’ by Kevin H. R. Rouwenhorst<italic>et al.</italic>,<italic>Energy Environ. Sci.</italic>, 2021,<bold>14</bold>, 2520–2534, https://doi.org/10.1039/D0EE03763J.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2023-11-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1754-5692	ISBN		Additional Links
	Impact Factor	32.5	Times cited		Open Access
	Notes	H2020 European Research Council; Horizon 2020, 810182 ; Ministerie van Economische Zaken en Klimaat;			Approved	Most recent IF: 32.5; 2023 IF: 29.518
	Call Number	PLASMANT @ plasmant @			Serial	8980
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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; Electron Microscopy for Materials Science (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		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
	Impact Factor	10.9	Times cited		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	Laroussi, M.; Bekeschus, S.; Keidar, M.; Bogaerts, A.; Fridman, A.; Lu, X.; Ostrikov, K.; Hori, M.; Stapelmann, K.; Miller, V.; Reuter, S.; Laux, C.; Mesbah, A.; Walsh, J.; Jiang, C.; Thagard, S.M.; Tanaka, H.; Liu, D.; Yan, D.; Yusupov, M.
	Title	Low-Temperature Plasma for Biology, Hygiene, and Medicine: Perspective and Roadmap			Type	A1 Journal article
	Year	2022	Publication	IEEE transactions on radiation and plasma medical sciences	Abbreviated Journal	IEEE Trans. Radiat. Plasma Med. Sci.
	Volume	6	Issue	2	Pages	127-157
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Plasma, the fourth and most pervasive state of matter in the visible universe, is a fascinating medium that is connected to the beginning of our universe itself. Man-made plasmas are at the core of many technological advances that include the fabrication of semiconductor devices, which enabled the modern computer and communication revolutions. The introduction of low temperature, atmospheric pressure plasmas to the biomedical field has ushered a new revolution in the healthcare arena that promises to introduce plasma-based therapies to combat some thorny and long-standing medical challenges. This article presents an overview of where research is at today and discusses innovative concepts and approaches to overcome present challenges and take the field to the next level. It is written by a team of experts who took an in-depth look at the various applications of plasma in hygiene, decontamination, and medicine, made critical analysis, and proposed ideas and concepts that should help the research community focus their efforts on clear and practical steps necessary to keep the field advancing for decades to come.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000750257400005	Publication Date	2021-12-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-7311	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access	OpenAccess
	Notes	Research Foundation—Flanders, 1200219N ;			Approved	Most recent IF: NA
	Call Number	PLASMANT @ plasmant @c:irua:185875			Serial	6907
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	Author	Park, D.-s.; Hadad, M.; Riemer, L.M.; Ignatans, R.; Spirito, D.; Esposito, V.; Tileli, V.; Gauquelin, N.; Chezganov, D.; Jannis, D.; Verbeeck, J.; Gorfman, S.; Pryds, N.; Muralt, P.; Damjanovic, D.
	Title	Induced giant piezoelectricity in centrosymmetric oxides			Type	A1 Journal article
	Year	2022	Publication	Science	Abbreviated Journal	Science
	Volume	375	Issue	6581	Pages	653-657
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Giant piezoelectricity can be induced in centrosymmetric oxides by controlling the long-range motion of oxygen vacancies.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000753975300036	Publication Date	2022-02-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0036-8075	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	56.9	Times cited	51	Open Access	OpenAccess
	Notes	D.-S.P., V.E., N.P., P.M., and D.D. acknowledge the European Commission for project Biowings H2020 Fetopen 2018-2022 (grant no. 80127). N.P. acknowledges funding from the Villum Fonden for the NEED project (grant no. 00027993) and the Danish Council for Independent Research Technology and Production Sciences for the DFF-Research Project 3 (grant no. 00069B). S.G. acknowledges funding from the Israel Science Foundation (research grant 1561/18 and equipment grant 2247/18). This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant no. 823717 – ESTEEM3. D.C. acknowledges TOP/BOF funding of the University of Antwerp. M.H. and P.M. acknowledge funding from the Swiss National Science Foundation (grant nos. 200020-162664/1 and 200021-143424/1); esteem3reported; esteem3TA			Approved	Most recent IF: 56.9
	Call Number	EMAT @ emat @c:irua:185876			Serial	6909
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	Author	Sharafi, L.; Zarafshani, K.; Keshavarz, M.; Azadi, H.; Van Passel, S.
	Title	Farmers' decision to use drought early warning system in developing countries			Type	A1 Journal article
	Year	2021	Publication	Science Of The Total Environment	Abbreviated Journal	Sci Total Environ
	Volume	758	Issue		Pages	142761
	Keywords	A1 Journal article; Engineering Management (ENM)
	Abstract	Drought is a persistent, sluggish natural disaster in developing countries that has generated a financial burden and an unstable climate. Farmers should adopt early warning systems (EWS) in their strategies for monitoring drought to reduce its serious consequences. However, farmers in developing countries are reluctant to use EWS as their management strategies. Hence, the aim of this study was to investigate the decision of farmers to use climate knowledge through the model of farming activity in Kermanshah Township, Iran. A surveyor questionnaire was used to gather data from 370 wheat farmers using random sampling methods inmulti-stage clusters. Results revealed that the decision to use climate information is affected by personal factors, attitude towards climate information, objectives of using climate information, and external/physical farming factors. The result of this study has implications for drought management practitioners. To be specific, the results can aid policymakers to design early alert programs to minimize the risk of drought and thus move from conventional to climate smart agriculture. (C) 2020 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000605623800001	Publication Date	2020-10-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0048-9697	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.9	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 4.9
	Call Number	UA @ admin @ c:irua:176030			Serial	6924
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	Author	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	Meng, X.; Chen, S.; Peng, H.; Bai, H.; Zhang, S.; Su, X.; Tan, G.; Van Tendeloo, G.; Sun, Z.; Zhang, Q.; Tang, X.; Wu, J.
	Title	Ferroelectric engineering : enhanced thermoelectric performance by local structural heterogeneity			Type	A1 Journal article
	Year	2022	Publication	Science China : materials	Abbreviated Journal	Sci China Mater
	Volume		Issue		Pages
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Although traditional ferroelectric materials are usually dielectric and nonconductive, GeTe is a typical ferroelectric semiconductor, possessing both ferroelectric and semiconducting properties. GeTe is also a widely studied thermoelectric material, whose performance has been optimized by doping with various elements. However, the impact of the ferroelectric domains on the thermoelectric properties remains unclear due to the difficulty to directly observe the ferroelectric domains and their evolutions under actual working conditions where the material is exposed to high temperatures and electric currents. Herein, based on in-situ investigations of the ferroelectric domains and domain walls in both pure and Sb-doped GeTe crystals, we have been able to analyze the dynamic evolution of the ferroelectric domains and domain walls, exposed to an electric field and temperature. Local structural heterogeneities and nano-sized ferroelectric domains are generated due to the interplay of the Sb3+ dopant and the Ge-vacancies, leading to the increased number of charged domain walls and a much improved thermoelectric performance. This work reveals the fundamental mechanism of ferroelectric thermoelectrics and provides insights into the decoupling of previously interdependent properties such as thermo-power and electrical conductivity.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000749973500001	Publication Date	2022-02-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2095-8226; 2199-4501	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.1	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 8.1
	Call Number	UA @ admin @ c:irua:186429			Serial	6959
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