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	Author	Khan, S.U.; Trashin, S.; Beltran, V.; Korostei, Y.S.; Pelmus, M.; Gorun, S.M.; Dubinina, T., V.; Verbruggen, S.W.; De Wael, K.
	Title	Photoelectrochemical behavior of phthalocyanine-sensitized TiO₂ in the presence of electron-shuttling mediators			Type	A1 Journal article
	Year	2022	Publication	Analytical chemistry	Abbreviated Journal	Anal Chem
	Volume	94	Issue	37	Pages	12723-12731
	Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
	Abstract	Dye-sensitized TiO(2 )has found many applications for dye sensitized solar cells (DSSC), solar-to-chemical energy conversion, water/air purification systems, and (electro)chemical sensors. We report an electrochemical system for testing dye-sensitized materials that can be utilized in photoelectrochemical (PEC) sensors and energy conversion. Unlike related systems, the reported system does not require a direct electron transfer from semiconductors to electrodes. Rather, it relies on electron shuttling by redox mediators. A range of model photocatalytic materials were prepared using three different TiO2 materials (P25, P90, and PC500) and three sterically hindered phthalocyanines (Pcs) with electron-rich tert-butyl substituents (t-Bu4PcZn, t-Bu4PcAlCl, and t-Bu4PcH2). The materials were compared with previously developed TiO(2 )modified by electron-deficient, also sterically hindered fluorinated phthalocyanine F64PcZn, a singlet oxygen (O-1(2)) producer, as well as its metal-free derivative, F64PcH2. The PEC activity depended on the redox mediator, as well as the type of TiO2 and Pc. By comparing the responses of one-electron shuttles, such as K4Fe(CN)(4), and O-1(2)-reactive electron shuttles, such as phenol, it is possible to reveal the action mechanism of the supported photosensitizers, while the overall activity can be assessed using hydroquinone. t-Bu4PcAlCl showed significantly lower blank responses and higher specific responses toward chlorophenols compared to t-Bu4PcZn due to the electron-withdrawing effect of the Al3+ metal center. The combination of reactivity insights and the need for only microgram amounts of sensing materials renders the reported system advantageous for practical applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000855284300001	Publication Date	2022-09-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-2700; 5206-882x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.4	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 7.4
	Call Number	UA @ admin @ c:irua:190602			Serial	7190
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	Author	Wanten, B.; Maerivoet, S.; Vantomme, C.; Slaets, J.; Trenchev, G.; Bogaerts, A.
	Title	Dry reforming of methane in an atmospheric pressure glow discharge: Confining the plasma to expand the performance			Type	A1 Journal article
	Year	2022	Publication	Journal Of Co2 Utilization	Abbreviated Journal	J Co2 Util
	Volume	56	Issue		Pages	101869
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	We present a confined atmospheric pressure glow discharge plasma reactor, with very good performance towards dry reforming of methane, i.e., CO2 and CH4 conversion of 64 % and 94 %, respectively, at an energy cost of 3.5–4 eV/molecule (or 14–16 kJ/L). This excellent performance is among the best reported up to now for all types of plasma reactors in literature, and is due to the confinement of the plasma, which maximizes the fraction of gas passing through the active plasma region. The main product formed is syngas, with H2O and C2H2 as byproducts. We developed a quasi-1D chemical kinetics model, showing good agreement with the experimental results, which provides a thorough insight in the reaction pathways underlying the conversion of CO2 and CH4 and the formation of the different products.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000740230000002	Publication Date	2021-12-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2212-9820	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.7	Times cited		Open Access	OpenAccess
	Notes	Vlaamse regering; European Research Council, 810182 ; Herculesstichting; European Research Council; Horizon 2020 Framework Programme; Universiteit Antwerpen; This project has received funding 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 through long-term structural funding (Methusalem). 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. Finally, we thank T. Kenis, J. Van den Hoek, and T. Breugelmans from the University of Antwerp, for per forming the liquid analysis.			Approved	Most recent IF: 7.7
	Call Number	PLASMANT @ plasmant @c:irua:185163			Serial	6899
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	Author	Li, S.; Liu, C.; Bogaerts, A.; Gallucci, F.
	Title	Editorial: Special issue on CO2 utilization with plasma technology			Type	Editorial
	Year	2022	Publication	Journal Of Co2 Utilization	Abbreviated Journal	J Co2 Util
	Volume	61	Issue		Pages	102017
	Keywords	Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Plasma technology has advanced significantly in recent years, with application ranging from chemical conversion, to surface treatment, material development and several other fields. Special attention has been paid to the development of possible novel approaches for the conversion of chemicals in a more sustainable way. Plasma technology offers advantages over thermochemical routes such as high process versatility, mild reaction condition, one-step synthesis, fast reaction and instant control. More importantly, it can be easily combined with electricity generated from various renewable sources and is suitable for energy storage via the conversion of intermittent renewable energy into carbon-neutral fuels or other chemicals. In recent years, there has been a growing interest in the development of plasma technology for CO2 utilization. Investigation on different reactions such as CO2 splitting, dry reforming of methane (DRM) and CO2 hydrogenation with different types of plasma reactors and catalysts have been reported by researchers worldwide. Although technological maturity still needs to be increased, the potential of plasma has been well-recognized by the scientific community and industry. More research output in the future is expected as a result of intensive research activities and various kinds of investment. In this context, we present this special issue on CO2 utilization with plasma technology, which collects 22 articles, covering topics in related areas such as plasma reactor design, plasma catalysis, plasmamaterial interaction, modeling and new ideas for possible applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000798071200005	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2212-9820	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	7.7	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 7.7
	Call Number	PLASMANT @ plasmant @c:irua:188287			Serial	7058
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	Author	Vertongen, R.; Trenchev, G.; Van Loenhout, R.; Bogaerts, A.
	Title	Enhancing CO2 conversion with plasma reactors in series and O2 removal			Type	A1 Journal article
	Year	2022	Publication	Journal Of Co2 Utilization	Abbreviated Journal	J Co2 Util
	Volume	66	Issue		Pages	102252
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In this work, we take a crucial step towards the industrial readiness of plasma-based CO2 conversion. We present a stepwise method to study plasma reactors in series as a first approach to a recycle flow. By means of this procedure, the CO2 conversion is enhanced by a factor of 3, demonstrating that a single-pass plasma treatment performs far below the optimal capacity of the reactor. Furthermore, we explore the effect of O2 in the mixture with our flexible procedure. Addition of O2 in the mixture has a clear detrimental effect on the conversion, in agreement with other experiments in atmospheric pressure plasmas. O2 removal is however highly beneficial, demonstrating a conversion per pass that is 1.6 times higher than the standard procedure. Indeed, extracting one of the products prevents recombination reactions. Based on these insights, we discuss opportunities for further improvements, especially in the field of specialised separation techniques.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000872550900003	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2212-9820	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.7	Times cited		Open Access	OpenAccess
	Notes	We acknowledge financial support from the Fund for Scientific Research (FWO) Flanders (Grant ID 110221 N), the Flemish Agency for Innovation and Entrepreneurship (VLAIO) (Grant ID HBC.2021.0251), 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). We also thank L. Hollevoet, K. Rouwenhorst, F. Girard-Sahun, B. Wanten and I. Tsonev for the interesting discussions and practical help with the experiments.			Approved	Most recent IF: 7.7
	Call Number	PLASMANT @ plasmant @c:irua:191467			Serial	7111
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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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	Author	Chen, J.; Ying, J.; Xiao, Y.; Dong, Y.; Ozoemena, K., I; Lenaerts, S.; Yang, X.
	Title	Stoichiometry design in hierarchical CoNiFe phosphide for highly efficient water oxidation			Type	A1 Journal article
	Year	2022	Publication	Science China : materials	Abbreviated Journal	Sci China Mater
	Volume	65	Issue	10	Pages	2685-2693
	Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Rational composition design of trimetallic phosphide catalysts is of significant importance for enhanced surface reaction and efficient catalytic performance. Herein, hierarchical CoxNiyFezP with precise control of stoichiometric metallic elements (x:y:z = (1-10):(1-10):1) has been synthesized, and Co1.3Ni0.5Fe0.2P, as the most optimal composition, exhibits remarkable catalytic activity (eta = 320 mV at 10 mA cm(-2)) and long-term stability (ignorable decrease after 10 h continuous test at the current density of 10 mA cm(-2)) toward oxygen evolution reaction (OER). It is found that the surface P in Co1.3Ni0.5Fe0.2P was replaced by 0 under the OER process. The density function theory calculations before and after long-term stability tests suggest the clear increasing of the density of states near the Fermi level of Co1.3Ni0.5Fe0.2P/ Co1.3Ni0.5Fe0.2O, which could enhance the OH- adsorption of our electrocatalysts and the corresponding OER performance.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000805530000001	Publication Date	2022-05-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2095-8226; 2199-4501	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.1	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 8.1
	Call Number	UA @ admin @ c:irua:189074			Serial	7212
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	Author	Thomassen, G.; Van Passel, S.; Alaerts, L.; Dewulf, J.
	Title	Retrospective and prospective material flow analysis of the post-consumer plastic packaging waste management system in Flanders			Type	A1 Journal article
	Year	2022	Publication	Waste Management	Abbreviated Journal	Waste Manage
	Volume	147	Issue		Pages	10-21
	Keywords	A1 Journal article; Engineering Management (ENM)
	Abstract	The post-consumer plastic packaging waste management in Flanders was analyzed by performing a retrospective material flow analysis, covering an extensive period from 1985 to 2019. In addition, a prospective material flow analysis of 32 improvement scenarios was performed, based on expected changes in the waste management system. Mass recovery rates were calculated based on different interpretations of the calculation rules. Moreover, various cascading levels were identified to differentiate between the quality level of the secondary applications. The mass recovery rate including only recycling evolved from a value of 0% in 1985 to 31% in 2019 and could be increased to 36-62% depending on the improvement scenario selected. However, the different interpretations of the calculation rules led to a variation of up to 20 and 41% on this mass recovery rates for the retrospective and prospective analysis, respectively. The introduction of monostream recycling for additional post-consumer plastic packaging flows, such as low-density polyethylene, did not lead to increasing mass recovery rates, if no differentiation for the cascading levels was made. The Belgian recycling target of 65% for 2023 will be challenging if the strictest calculation method needs to be followed or if the improvements in the Flemish postconsumer plastic packaging waste system do not follow the best-case collection scenarios under the given assumptions. To harmonize the calculation and monitoring of these targets, clear calculation rules need to be accompanied with a harmonized monitoring system over the entire waste management system.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000802961100002	Publication Date	2022-05-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0956-053x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.1	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 8.1
	Call Number	UA @ admin @ c:irua:188651			Serial	7367
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	Author	Larraín, M.; Billen, P.; Van Passel, S.
	Title	The effect of plastic packaging recycling policy interventions as a complement to extended producer responsibility schemes : a partial equilibrium model			Type	A1 Journal article
	Year	2022	Publication	Waste Management	Abbreviated Journal	Waste Manage
	Volume	153	Issue		Pages	355-366
	Keywords	A1 Journal article; Engineering Management (ENM); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS)
	Abstract	Extended producer responsibility (EPR) schemes have effectively increased the plastic waste that is separately collected. However, due to the structure of the recycling industry, EPR cannot increase recycling rates up to the target levels.Additional policy instruments to increase recycling rates such as recycled content targets, green dot fees bonus for recycled content, recycling targets and taxes on non-recycled plastic packaging have been discussed on a political level in the last years. However, very little research has quantitatively studied the effectiveness of these policy interventions.Using a partial equilibrium model, this paper examines the effectiveness of the implementation of the aforementioned policy instruments to increase recycling rates and the impact on different stakeholders of the value chain: plastic producers, consumers, producer responsibility organization and recyclers.Results show that direct interventions (recycled content standards and recycling targets) have the benefit of decoupling the recycling industry from external markets such as the oil market. They can be a good starting point to increase recycling, but in the long term they may be restricting by not presenting incentives to achieve recycling levels beyond the targeted amounts and by limiting technological innovation. On the contrary, eco-nomic interventions such as a green dot fee bonus or a packaging tax create economic incentives for recycling. However, these incentives are diminished by the lower perceived quality of packaging with higher recycled content levels.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000868915000004	Publication Date	2022-09-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0956-053x	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:191367			Serial	7370
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	Author	Zhang, Y.; Qin, S.; Claes, N.; Schilling, W.; Sahoo, P.K.; Ching, H.Y.V.; Jaworski, A.; Lemière, F.; Slabon, A.; Van Doorslaer, S.; Bals, S.; Das, S.
	Title	Direct Solar Energy-Mediated Synthesis of Tertiary Benzylic Alcohols Using a Metal-Free Heterogeneous Photocatalyst			Type	A1 Journal article
	Year	2022	Publication	ACS Sustainable Chemistry and Engineering	Abbreviated Journal	Acs Sustain Chem Eng
	Volume	10	Issue	1	Pages	530-540
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Organic synthesis (ORSY)
	Abstract	Direct hydroxylation via the functionalization of tertiary benzylic C(sp3)-H bond is of great significance for obtaining tertiary alcohols which find wide applications in pharmaceuticals as well as in fine chemical industries. However, current synthetic procedures use toxic reagents and therefore, the development of a sustainable strategy for the synthesis of tertiary benzyl alcohols is highly desirable. To solve this problem, herein, we report a metal-free heterogeneous photocatalyst to synthesize the hydroxylated products using oxygen as the key reagent. Various benzylic substrates were employed into our mild reaction conditions to afford the desirable products in good to excellent yields. More importantly, gram-scale reaction was achieved via harvesting direct solar energy and exhibited high quantity of the product. The high stability of the catalyst was proved via recycling the catalyst and spectroscopic analyses. Finally, a possible mechanism was proposed based on the EPR and other experimental evidence.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000736518000001	Publication Date	2022-01-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2168-0485	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.4	Times cited	24	Open Access	OpenAccess
	Notes	We thank BOF joint PhD grant (to Y. Z.), Francqui Foundation and FWO research grant (to S.D.), Chinese Scholarship Council (to Y.Z.). A.S. would like to thank the Swedish Energy Agency for financial support (project nr: 5050-1). The SEM microscope was partly funded by the Hercules Fund from the Flemish Government.			Approved	Most recent IF: 8.4
	Call Number	EMAT @ emat @c:irua:184744			Serial	6900
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	Author	Hollevoet, L.; Vervloessem, E.; Gorbanev, Y.; Nikiforov, A.; De Geyter, N.; Bogaerts, A.; Martens, J.A.
	Title	Energy‐Efficient Small‐Scale Ammonia Synthesis Process with Plasma‐enabled Nitrogen Oxidation and Catalytic Reduction of Adsorbed NO_x			Type	A1 Journal article
	Year	2022	Publication	Chemsuschem	Abbreviated Journal	Chemsuschem
	Volume		Issue		Pages
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Industrial ammonia production without CO2 emission and with low energy consumption is one of the technological grand challenges of this age. Current Haber-Bosch ammonia mass production processes work with a thermally activated iron catalyst needing high pressure. The need for large volumes of hydrogen gas and the continuous operation mode render electrification of Haber-Bosch plants difficult to achieve. Electrochemical solutions at low pressure and temperature are faced with the problematic inertness of the nitrogen molecule on electrodes. Direct reduction of N2 to ammonia is only possible with very reactive chemicals such as lithium metal, the regeneration of which is energy intensive. Here, the attractiveness of an oxidative route for N2 activation was presented. N2 conversion to NOx in a plasma reactor followed by reduction with H2 on a heterogeneous catalyst at low pressure could be an energy-efficient option for small-scale distributed ammonia production with renewable electricity and without intrinsic CO2 footprint.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000772893400001	Publication Date	2022-03-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1864-5631	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.4	Times cited		Open Access	OpenAccess
	Notes	Vlaamse regering, HBC.2019.0108 ; Vlaamse regering; KU Leuven, C3/20/067 ; We gratefully acknowledge financial support by the Flemish Government through the Moonshot cSBO project P2C (HBC.2019.0108). J.A.M. and A.B. acknowledge the Flemish Government for long-term structural funding (Methusalem). J.A.M. © 2022 Wiley-VCH GmbH			Approved	Most recent IF: 8.4
	Call Number	PLASMANT @ plasmant @c:irua:187251			Serial	7054
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	Author	Bignoli, F.; Rashid, S.; Rossi, E.; Jaddi, S.; Djemia, P.; Terraneo, G.; Li Bassi, A.; Idrissi, H.; Pardoen, T.; Sebastiani, M.; Ghidelli, M.
	Title	Effect of annealing on mechanical properties and thermal stability of ZrCu/O nanocomposite amorphous films synthetized by pulsed laser deposition			Type	A1 Journal article
	Year	2022	Publication	Materials & design	Abbreviated Journal	Mater Design
	Volume	221	Issue		Pages	110972-10
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Binary ZrCu nanocomposite amorphous films are synthetized by pulsed laser deposition (PLD) under vac-uum (2 x 10-3 Pa) and 10 Pa He pressure, leading to fully amorphous compact and nanogranular mor-phologies, respectively. Then, post-thermal annealing treatments are carried out to explore thermal stability and crystallization phenomena together with the evolution of mechanical properties. Compact films exhibit larger thermal stability with partial crystallization phenomena starting at 420 degrees C, still to be completed at 550 degrees C, while nanogranular films exhibit early-stage crystallization at 300 degrees C and com-pleted at 485 degrees C. The microstructural differences are related to a distinct evolution of mechanical
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000886072100004	Publication Date	2022-07-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0264-1275; 1873-4197	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.4	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 8.4
	Call Number	UA @ admin @ c:irua:192194			Serial	7299
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	Author	Hao, Y.; Velpula, G.; Kaltenegger, M.; Bodlos, W.R.; Vibert, F.; Mali, K.S.; De Feyter, S.; Resel, R.; Geerts, Y.H.; Van Aert, S.; Beljonne, D.; Lazzaroni, R.
	Title	From 2D to 3D : bridging self-assembled monolayers to a substrate-induced polymorph in a molecular semiconductor			Type	A1 Journal article
	Year	2022	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	34	Issue	5	Pages	2238-2248
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	In this study, a new bottom-up approach is proposed to predict the crystal structure of the substrate-induced polymorph (SIP) of an archetypal molecular semiconductor. In spite of intense efforts, the formation mechanism of SIPs is still not fully understood, and predicting their crystal structure is a very delicate task. Here, we selected lead phthalocyanine (PbPc) as a prototypical molecular material because it is a highly symmetrical yet nonplanar molecule and we demonstrate that the growth and crystal structure of the PbPc SIPs can be templated by the corresponding physisorbed self-assembled molecular networks (SAMNs). Starting from SAMNs of PbPc formed at the solution/graphite interface, the structural and energetic aspects of the assembly were studied by a combination of in situ scanning tunneling microscopy and multiscale computational chemistry approach. Then, the growth of a PbPc SIP on top of the physisorbed monolayer was modeled without prior experimental knowledge, from which the crystal structure of the SIP was predicted. The theoretical prediction of the SIP was verified by determining the crystal structure of PbPc thin films using X-ray diffraction techniques, revealing the formation of a new polymorph of PbPc on the graphite substrate. This study clearly illustrates the correlation between the SAMNs and SIPs, which are traditionally considered as two separate but conceptually connected research areas. This approach is applicable to molecular materials in general to predict the crystal structure of their SIPs.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000812125800001	Publication Date	2022-02-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0897-4756; 1520-5002	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.6	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 8.6
	Call Number	UA @ admin @ c:irua:189086			Serial	7084
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	Author	Van Winckel, T.; Ngo, N.; Sturm, B.; Al-Omari, A.; Wett, B.; Bott, C.; Vlaeminck, S.E.; De Clippeleir, H.
	Title	Enhancing bioflocculation in high-rate activated sludge improves effluent quality yet increases sensitivity to surface overflow rate			Type	A1 Journal article
	Year	2022	Publication	Chemosphere	Abbreviated Journal	Chemosphere
	Volume	308	Issue	2	Pages	136294-11
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	High-rate activated sludge (HRAS) relies on good bioflocculation and subsequent solid-liquid separation to maximize the capture of organics. However, full-scale applications often suffer from poor and unpredictable effluent suspended solids (ESS). While the biological aspects of bioflocculation are thoroughly investigated, the effects of fines (settling velocity < 0.6 m3/m2/h), shear and surface overflow rate (SOR) are unclear. This work tackled the impact of fines, shear, and SOR on the ESS in absence of settleable influent solids. This was assessed on a full-scale HRAS step-feed (SF) and pilot-scale HRAS contact-stabilization (CS) configuration using batch settling tests, controlled clarifier experiments, and continuous operation of reactors. Fines contributed up to 25% of the ESS in the full-scale SF configuration. ESS decreased up to 30 mg TSS/L when bioflocculation was enhanced with the CS configuration. The feast-famine regime applied in CS promoted the production of high-quality extracellular polymeric substances (EPS). However, this resulted in a narrow and unfavorable settling velocity distribution, with 50% ± 5% of the sludge mass settling between 0.6 and 1.5 m3/m2/h, thus increasing sensitivity towards SOR changes. A low shear environment (20 s−1) before the clarifier for at least one min was enough to ensure the best possible settling velocity distribution, regardless of prior shear conditions. Overall, this paper provides a more complete view on the drivers of ESS in HRAS systems, creating the foundation for the design of effective HRAS clarifiers. Tangible recommendations are given on how to manage fines and establish the optimal settling velocity of the sludge.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000863979600006	Publication Date	2022-09-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0045-6535; 1879-1298	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	8.8	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 8.8
	Call Number	UA @ admin @ c:irua:190187			Serial	7154
Permanent link to this record



	Author	Le, T.-S.; Nguyen, P.-D.; Ngo, H.H.; Bui, X.-T.; Dang, B.-T.; Diels, L.; Bui, H.-H.; Nguyen, M.-T.; Le Quang, D.-T.
	Title	Two-stage anaerobic membrane bioreactor for co-treatment of food waste and kitchen wastewater for biogas production and nutrients recovery			Type	A1 Journal article
	Year	2022	Publication	Chemosphere	Abbreviated Journal	Chemosphere
	Volume	309	Issue	1	Pages	136537-136539
	Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Co-digestion of organic waste and wastewater is receiving increased attention as a plausible waste management approach toward energy recovery. However, traditional anaerobic processes for co-digestion are particularly susceptible to severe organic loading rates (OLRs) under long-term treatment. To enhance technological feasi-bility, this work presented a two-stage Anaerobic Membrane Bioreactor (2 S-AnMBR) composed of a hydrolysis reactor (HR) followed by an anaerobic membrane bioreactor (AnMBR) for long-term co-digestion of food waste and kitchen wastewater. The OLRs were expanded from 4.5, 5.6, and 6.9 kg COD m- 3 d-1 to optimize biogas yield, nitrogen recovery, and membrane fouling at ambient temperatures of 25-32 degrees C. Results showed that specific methane production of UASB was 249 +/- 7 L CH4 kg-1 CODremoved at the OLR of 6.9 kg TCOD m- 3 d-1. Total Chemical Oxygen Demand (TCOD) loss by hydrolysis was 21.6% of the input TCOD load at the hydraulic retention time (HRT) of 2 days. However, low total volatile fatty acid concentrations were found in the AnMBR, indicating that a sufficiently high hydrolysis efficiency could be accomplished with a short HRT. Furthermore, using AnMBR structure consisting of an Upflow Anaerobic Sludge Blanket Reactor (UASB) followed by a side -stream ultrafiltration membrane alleviated cake membrane fouling. The wasted digestate from the AnMBR comprised 42-47% Total Kjeldahl Nitrogen (TKN) and 57-68% total phosphorous loading, making it suitable for use in soil amendments or fertilizers. Finally, the predominance of fine particles (D10 = 0.8 mu m) in the ultra -filtration membrane housing (UFMH) could lead to a faster increase in trans-membrane pressure during the filtration process.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000866470600004	Publication Date	2022-09-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0045-6535; 1879-1298	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.8	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 8.8
	Call Number	UA @ admin @ c:irua:191557			Serial	7347
Permanent link to this record



	Author	Hajizadeh, A.; Shahalizade, T.; Riahifar, R.; Yaghmaee, M.S.; Raissi, B.; Gholam, S.; Aghaei, A.; Rahimisheikh, S.; Ghazvini, A.S.
	Title	Electrophoretic deposition as a fabrication method for Li-ion battery electrodes and separators : a review			Type	A1 Journal article
	Year	2022	Publication	Journal of power sources	Abbreviated Journal	J Power Sources
	Volume	535	Issue		Pages	231448-26
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Electrophoretic Deposition (EPD) is one of the alternative methods to fabricate and enhance the performance of Li-ion batteries. It enables the fabrication of electrodes with outstanding qualities and different electrochemical properties by the great domination over various parameters. EPD facilitates the processing of electrodes by binder-free grafting of nanomaterials, such as graphene derivatives, carbon nanotube, and nanoparticles, into the battery electrodes. It also enables the assembly of the free-standing electrodes with 3D structure and provides possibilities, such as the fabrication of the electrodes with an oriented microstructure, even on 3D substrates to improve the energy or power density. In this review, after an introduction to EPD, the effect of EPD parameters on the properties of the prepared electrodes is reviewed. Then, EPD is compared with tape cast, and its advantages over the conventional method are evaluated. Also, employing the EPD method as an intermediate process is discussed. Finally, the application of EPD in the fabrication of separators is assessed, and the prospects for the future are described.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000913348500001	Publication Date	2022-04-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0378-7753	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.2	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 9.2
	Call Number	UA @ admin @ c:irua:194403			Serial	7303
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	Author	Choisez, L.; Ding, L.; Marteleur, M.; Kashiwar, A.; Idrissi, H.; Jacques, P.J.
	Title	Shear banding-activated dynamic recrystallization and phase transformation during quasi-static loading of β-metastable Ti – 12 wt % Mo alloy			Type	A1 Journal article
	Year	2022	Publication	Acta materialia	Abbreviated Journal	Acta Mater
	Volume	235	Issue		Pages	118088-13
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Dynamic recrystallization (DRX) within adiabatic shear bands forming during the fracture of TRIP-TWIP β−metastable Ti-12Mo (wt %) alloy was recently reported. The formation of 1-3 µm thick-adiabatic shear bands, and of dynamic recrystallization, was quite surprising as their occurrence generally requires high temperature and/or high strain rate loading while these samples were loaded in quasi-static conditions at room temperature. To better understand the fracture mechanism and associated microstructural evolution, thin foils representative of different stages of the fracture process were machined from the fracture surface by Focused Ion Beam (FIB) and analyzed by Transmission Electron Microscopy (TEM) and Automated Crystal Orientation mapping (ACOM-TEM). Complex microstructure transformations involving severe plastic deformed nano-structuration, crystalline rotation and local precipitation of the omega phase were identified. The spatial and temporal evolution of the microstructure during the propagation of the crack was explained through dynamic recovery and continuous dynamic recrystallization, and linked to the modelled distribution of temperature and strain level where TEM samples were extracted.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000814729300005	Publication Date	2022-06-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-6454	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.4	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 9.4
	Call Number	UA @ admin @ c:irua:188505			Serial	7096
Permanent link to this record



	Author	Arseenko, M.; Hannard, F.; Ding, L.; Zhao, L.; Maire, E.; Villanova, J.; Idrissi, H.; Simar, A.
	Title	A new healing strategy for metals : programmed damage and repair			Type	A1 Journal article
	Year	2022	Publication	Acta materialia	Abbreviated Journal	Acta Mater
	Volume	238	Issue		Pages	118241-10
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Self-healing strategies aim at avoiding part repair or even replacement, which is time consuming, expen-sive and generates waste. However, strategies for metallic systems are still under-developed and solid-state solutions for room temperature service are limited to nano-scale damage repair. Here we propose a new healing strategy of micron-sized damage requiring only short and low temperature heating. This new strategy is based on damage localization particles, which can be healed by fast diffusing atoms of the matrix activated during heat treatment. The healing concept was successfully validated with a com-mercial aluminum alloy and manufactured by Friction Stir Processing (FSP). Damage was demonstrated to initiate on particles that were added to the matrix during material processing. In situ 2D and 3D nano -imaging confirmed healing of the damaged material and showed that heating this material for 10 min at 400 degrees C is sufficient to heal incipient damage with complete filling of 70% of all damage (and up to 90% when their initial size is below 0.2 mu m). Furthermore, strength is retained and the work of fracture of the alloy is improved by about 40% after healing. The proposed Programmed Damage and Repair healing strategy could be extended to other metal based systems presenting precipitation. (C) 2022 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000843502700006	Publication Date	2022-08-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-6454	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.4	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 9.4
	Call Number	UA @ admin @ c:irua:190561			Serial	7121
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	Author	Idrissi, H.; Béché, A.; Gauquelin, N.; Ul-Haq, I.; Bollinger, C.; Demouchy, S.; Verbeeck, J.; Pardoen, T.; Schryvers, D.; Cordier, P.
	Title	On the formation mechanisms of intragranular shear bands in olivine by stress-induced amorphization			Type	A1 Journal article
	Year	2022	Publication	Acta materialia	Abbreviated Journal	Acta Mater
	Volume	239	Issue		Pages	118247-118249
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Intragranular amorphization shear lamellae are found in deformed olivine aggregates. The detailed trans-mission electron microscopy analysis of intragranular lamella arrested in the core of a grain provides novel information on the amorphization mechanism. The deformation field is complex and heteroge-neous, corresponding to a shear crack type instability involving mode I, II and III loading components. The formation and propagation of the amorphous lamella is accompanied by the formation of crystal defects ahead of the tip. These defects are geometrically necessary [001] dislocations, characteristics of high-stress deformation in olivine, and rotational nanodomains which are tentatively interpreted as disclinations. We show that these defects play an important role in dictating the path followed by the amorphous lamella. Stress-induced amorphization in olivine would thus result from a direct crystal-to -amorphous transformation associated with a shear instability and not from a mechanical destabilization due to the accumulation of high number of defects from an intense preliminary deformation. The pref-erential alignment of some lamellae along (010) is a proof of the lower ultimate mechanical strength of these planes.(c) 2022 The Authors. Published by Elsevier Ltd on behalf of Acta Materialia Inc. This is an open access article under the CC BY license ( http://creativecommons.org/licenses/by/4.0/ )
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000861076600004	Publication Date	2022-08-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-6454	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.4	Times cited	5	Open Access	OpenAccess
	Notes	The QuanTEM microscope was partially funded by the Flemish government. The K2 camera was funded by FWO Hercules fund G0H4316N 'Direct electron detector for soft matter TEM'. A. Beche acknowledges funding from FWO project G093417N ('Compressed sensing enabling low dose imaging in transmission electron microscopy'). H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). This work was supported by the FNRS under Grant PDR – T011322F and by the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme under grant agreement No 787,198 Time Man. J-L Rouviere is acknowledged for his support with the GPA softawre.			Approved	Most recent IF: 9.4
	Call Number	UA @ admin @ c:irua:191432			Serial	7186
Permanent link to this record



	Author	Gogoi, A.; Neyts, E.C.; Milošević, M.V.; Peeters, F.M.
	Title	Arresting aqueous swelling of layered graphene-oxide membranes with H₃O⁺ and OH^- ions			Type	A1 Journal article
	Year	2022	Publication	ACS applied materials and interfaces	Abbreviated Journal	Acs Appl Mater Inter
	Volume	14	Issue	30	Pages	34946-34954
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Over the past decade, graphene oxide (GO) has emerged as a promising membrane material with superior separation performance and intriguing mechanical/chemical stability. However, its practical implementation remains very challenging primarily because of its undesirable swelling in an aqueous environment. Here, we demonstrated that dissociation of water molecules into H3O+ and OH- ions inside the interlayer gallery of a layered GO membrane can strongly affect its stability and performance. We reveal that H3O+ and OH- ions form clusters inside the GO laminates that impede the permeance of water and salt ions through the membrane. Dynamics of those clusters is sensitive to an external ac electric field, which can be used to tailor the membrane performance. The presence of H3O+ and OH- ions also leads to increased stability of the hydrogen bond (H-bond) network among the water molecules and the GO layers, which further reduces water permeance through the membrane, while crucially imparting stability to the layered GO membrane against undesirable swelling. KEYWORDS: layered graphene-oxide membrane, aqueous stability, H3O+ and OH- ions, external electric field, molecular dynamics
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000835946500001	Publication Date	2022-07-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1944-8244	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.5	Times cited	1	Open Access	OpenAccess
	Notes				Approved	Most recent IF: 9.5
	Call Number	UA @ admin @ c:irua:189467			Serial	7127
Permanent link to this record



	Author	Cunha, D.M.; Gauquelin, N.; Xia, R.; Verbeeck, J.; Huijben, M.
	Title	Self-assembled epitaxial cathode-electrolyte nanocomposites for 3D microbatteries			Type	A1 Journal article
	Year	2022	Publication	ACS applied materials and interfaces	Abbreviated Journal	Acs Appl Mater Inter
	Volume	14	Issue	37	Pages	42208-42214
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The downscaling of electronic devices requires rechargeable microbatteries with enhanced energy and power densities. Here, we evaluate self-assembled vertically aligned nano-composite (VAN) thin films as a platform to create high-performance three-dimensional (3D) microelectrodes. This study focuses on controlling the VAN formation to enable interface engineering between the LiMn2O4 cathode and the (Li,La)TiO3 solid electrolyte. Electrochemical analysis in a half cell against lithium metal showed the absence of sharp redox peaks due to the confinement in the electrode pillars at the nanoscale. The (100)-oriented VAN thin films showed better rate capability and stability during extensive cycling due to the better alignment to the Li-diffusion channels. However, an enhanced pseudocapacitive contribution was observed for the increased total surface area within the (110)-oriented VAN thin films. These results demonstrate for the first time the electrochemical behavior of cathode-electrolyte VANs for lithium-ion 3D microbatteries while pointing out the importance of control over the vertical interfaces.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000852647100001	Publication Date	2022-09-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1944-8244	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.5	Times cited	4	Open Access	OpenAccess
	Notes	This research was carried out with the support from the Netherlands Organization for Scientific Research (NWO) under VIDI grant no. 13456.			Approved	Most recent IF: 9.5
	Call Number	UA @ admin @ c:irua:190619			Serial	7206
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	Author	Vervloessem, E.; Gorbanev, Y.; Nikiforov, A.; De Geyter, N.; Bogaerts, A.
	Title	Sustainable NO_xproduction from air in pulsed plasma: elucidating the chemistry behind the low energy consumption			Type	A1 Journal article
	Year	2022	Publication	Green Chemistry	Abbreviated Journal	Green Chem
	Volume	24	Issue	2	Pages	916-929
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	N-Based fertilisers are paramount to support our still-growing world population. Current industrial N<sub>2</sub>fixation is heavily fossil fuel-dependent, therefore, a lot of work is put into the development of fossil-free pathways. Plasma technology offers a fossil-free and flexible method for N<sub>2</sub>fixation that is compatible with renewable energy sources. We present here a pulsed plasma jet for direct NO<sub><italic>x</italic></sub>production from air. The pulsed power allows for a record-low energy consumption (EC) of 0.42 MJ (mol N)<sup>−1</sup>. This is the lowest reported EC in plasma-based N<sub>2</sub>fixation at atmospheric pressure thus far. We compare our experimental data with plasma chemistry modelling, and obtain very good agreement. Hence, we can use our model to explain the underlying mechanisms responsible for this low EC. The pulsed power and the corresponding pulsed gas temperature are the reason for the very low EC: they provide a strong vibrational–translational non-equilibrium and promote the non-thermal Zeldovich mechanism. This insight is important for the development of the next generation of plasma sources for energy-efficient NO<sub><italic>x</italic></sub>production.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000739578400001	Publication Date	2021-12-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9262	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.8	Times cited		Open Access	Not_Open_Access
	Notes	H2020 European Research Council, grant agreement no. 810182 – SCOPE ERC Synergy project ; Herculesstichting; Fonds Wetenschappelijk Onderzoek, EOS ID 30505023 FWO grant ID GoF9618n ; Universiteit Antwerpen; This research was supported by the Excellence of Science FWO-FNRS project (NITROPLASM, FWO grant ID GoF9618n, EOS ID 30505023), 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 through long-term structural funding (Methusalem). 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. We thank E. H. Choi and coworkers from the Plasma Bioscience Research Center (Korea) for providing the Soft Jet plasma source, as well as K. van’t Veer and C. Verheyen for the fruitful discussion on the electron loss fraction calculations. The graphical abstract was designed using resources from Flaticon.com.			Approved	Most recent IF: 9.8
	Call Number	PLASMANT @ plasmant @c:irua:185450			Serial	6906
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	Author	Windels, S.; Diefenhardt, T.; Jain, N.; Marquez, C.; Bals, S.; Schlummer, M.; De Vos, D.E.
	Title	Catalytic upcycling of PVC waste-derived phthalate esters into safe, hydrogenated plasticizers			Type	A1 Journal article
	Year	2022	Publication	Green chemistry : cutting-edge research for a greener sustainable future	Abbreviated Journal	Green Chem
	Volume	24	Issue	2	Pages	754-766
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Recycling of end-of-life polyvinyl chloride (PVC) calls for solutions to deal with the vast amounts of harmful phthalate plasticizers that have historically been incorporated in PVC. Here, we report on the upcycling of such waste-extracted phthalate esters into analogues of the much safer diisononyl 1,2-cyclohexanedicarboxylate plasticizer (DINCH), via a catalytic one-pot (trans)esterification-hydrogenation process. For most of the virgin phthalates, Ru/Al2O3 is a highly effective hydrogenation catalyst, yielding >99% ring-hydrogenated products under mild reaction conditions (0.1 mol% Ru, 80 degrees C, 50 bar H-2). However, applying this reaction to PVC-extracted phthalates proved problematic, (1) as benzyl phthalates are hydrogenolyzed to benzoic acids that inhibit the Ru-catalyst, and (2) because impurities in the plasticizer extract (PVC, sulfur) further retard the hydrogenation. These complications were solved by coupling the hydrogenation to an in situ (trans)esterification with a higher alcohol, and by pretreating the extract with an activated carbon adsorbent. In this way, a real phthalate extract obtained from post-consumer PVC waste was eventually completely (>99%) hydrogenated to phthalate-free, cycloaliphatic plasticizers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000726865200001	Publication Date	2021-11-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9262; 1463-9270	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.8	Times cited	8	Open Access	Not_Open_Access
	Notes	This project has received funding from the European Union’s Horizon 2020 Research and Innovation Programme under grant agreement no. 821366 (programma acronym: Circular Flooring). D. E. D. V. thanks FWO for project funding (SBO project S001819N Triple Cycle); N. J. and S. B. acknowledge the financial support from FWO and FNRS (EOS 30489208). Finally, the authors also thank S. Smolders for assistance with the TGA-MS experiments and D. Paredaens for his experimental contribution			Approved	Most recent IF: 9.8
	Call Number	UA @ admin @ c:irua:184746			Serial	6958
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	Author	Xie, Y.; Spiller, M.; Vlaeminck, S.E.
	Title	A bioreactor and nutrient balancing approach for the conversion of solid organic fertilizers to liquid nitrate-rich fertilizers : mineralization and nitrification performance complemented with economic aspects			Type	A1 Journal article
	Year	2022	Publication	The science of the total environment	Abbreviated Journal	Sci Total Environ
	Volume	806	Issue		Pages	150415
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Due to the high water- and nutrient-use efficiency, hydroponic cultivation is increasingly vital in progressing to environment-friendly food production. To further alleviate the environmental impacts of synthetic fertilizer production, the use of recovered nutrients should be encouraged in horticulture and agriculture at large. Solid organic fertilizers can largely contribute to this, yet their physical and chemical nature impedes application in hydroponics. This study proposes a bioreactor for mineralization and nitrification followed by a supplementation step for limiting macronutrients to produce nitrate-based solutions from solid fertilizers, here based on a novel microbial fertilizer. Batch tests showed that aerobic conversions at 35 °C could realize a nitrate (NO₃−-N) production efficiency above 90% and a maximum rate of 59 mg N L−1 d−1. In the subsequent bioreactor test, nitrate production efficiencies were lower (44–51%), yet rates were higher (175–212 mg N L−1 d−1). Calcium and magnesium hydroxide were compared to control the bioreactor pH at 6.0 ± 0.2, while also providing macronutrients for plant production. A mass balance estimation to mimic the Hoagland nutrient solution showed that 92.7% of the NO₃−-N in the Ca(OH)₂ scenario could be organically sourced, while this was only 37.4% in the Mg(OH)₂ scenario. Besides, carbon dioxide (CO₂) generated in the bioreactor can be used for greenhouse carbon fertilization to save operational expenditure (OPEX). An estimation of the total OPEX showed that the production of a nutrient solution from solid organic fertilizers can be cost competitive compared to using commercially available liquid inorganic fertilizer solutions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000707640400021	Publication Date	2021-09-20
	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	9.8	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 9.8
	Call Number	UA @ admin @ c:irua:181787			Serial	7132
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	Author	Pattyn, C.; Maira, N.; Buddhadasa, M.; Vervloessem, E.; Iseni, S.; Roy, N.C.; Remy, A.; Delplancke, M.-P.; De Geyter, N.; Reniers, F.
	Title	Disproportionation of nitrogen induced by DC plasma-driven electrolysis in a nitrogen atmosphere			Type	A1 Journal article
	Year	2022	Publication	Green Chemistry	Abbreviated Journal	Green Chem
	Volume	24	Issue	18	Pages	7100-7112
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Nitrogen disproportionation i.e. its simultaneous conversion to compounds of higher (NOx) and lower (NH3) oxidation states in a N-2 DC plasma-driven electrolysis process with a plasma cathode is investigated. This type of plasma-liquid interaction exhibits a growing interest for many applications, in particular nitrogen fixation where it represents a green alternative to the Haber-Bosch process. Optical emission spectroscopy, FTIR and electrochemical sensing systems are used to characterize the gas phase physico-chemistry while the liquid phase is analyzed via ionic chromatography and colorimetric assays. Experiments suggest that lowering the discharge current enhances nitrogen reduction and facilitates the transfer of nitrogen compounds to the liquid phase. Large amounts of water vapor appear to impact the gas discharge physico-chemistry and to favor the vibrational excitation of N-2, a key parameter for an energy-efficient nitrogen fixation.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000847733600001	Publication Date	2022-08-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9262; 1463-9270	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.8	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 9.8
	Call Number	UA @ admin @ c:irua:190655			Serial	7145
Permanent link to this record



	Author	Peng, L.; Lou, W.; Xu, Y.; Yu, S.; Liang, C.; Alloul, A.; Song, K.; Vlaeminck, S.E.
	Title	Regulating light, oxygen and volatile fatty acids to boost the productivity of purple bacteria biomass, protein and co-enzyme Q10			Type	A1 Journal article
	Year	2022	Publication	The science of the total environment	Abbreviated Journal	Sci Total Environ
	Volume	822	Issue		Pages	153489
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Purple non‑sulfur bacteria (PNSB) possess significant potential for bioresource recovery from wastewater. Effective operational tools are needed to boost productivity and direct the PNSB biomass towards abundant value-added substances (e.g., protein and co-enzyme Q10, CoQ10). This study aimed to investigate the impact of light, oxygen and volatile fatty acids (VFAs) on PNSB growth (i.e., Rhodobacter sphaeroides) and productivity of protein and CoQ10. Overall, the biomass yields and specific growth rates of PNSB were in the ranges of 0.57–1.08 g biomass g−1 CODremoved and 0.48–0.71 d−1, respectively. VFAs did not influence the biomass yield, yet acetate and VFA mixtures enhanced the specific growth rate with a factor of 1.2–1.5 compared to propionate and butyrate. The most PNSB biomass (1.08 g biomass g−1 CODremoved and 0.71 d−1) and the highest biomass quality (protein content of 609 mg g−1 dry cell weight (DCW) and CoQ10 content of 13.21 mg g−1 DCW) were obtained in the presence of VFA mixtures under natural light and microaerobic (low light alternated with darkness; dissolved oxygen (DO) between 0.5 and 1 mg L−1) conditions (vs. light anaerobic and dark aerobic cultivations). Further investigation on VFAs dynamics revealed that acetate was most rapidly consumed by PNSB in the individual VFA feeding (specific uptake rate of 0.76 g COD g−1 DCW d−1), while acetate as a co-substrate in the mixed VFAs feeding might accelerate the consumption of propionate and butyrate through providing additional cell metabolism precursor. Enzymes activities of succinate dehydrogenase and fructose-1,6-bisphosphatase as well as the concentration of photo pigments confirmed that light, oxygen and VFAs regulated the key enzymes in the energy metabolism and biomass synthesis to boost PNSB growth. These results provide a promising prospect for utilization of fermented waste stream for the harvest of PNSB biomass, protein and CoQ10.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000766801800010	Publication Date	2022-02-02
	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	9.8	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 9.8
	Call Number	UA @ admin @ c:irua:185706			Serial	7202
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	Author	Zhu, W.; Van Tendeloo, M.; Xie, Y.; Timmer, M.J.; Peng, L.; Vlaeminck, S.E.
	Title	Storage without nitrite or nitrate enables the long-term preservation of full-scale partial nitritation/anammox sludge			Type	A1 Journal article
	Year	2022	Publication	The science of the total environment	Abbreviated Journal	Sci Total Environ
	Volume	806	Issue	3	Pages	151330
	Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Bioaugmentation with summer harvested sludge during winter could compensate for bacterial activity loss but requires that sludge activity can be restored after storage. This study assesses the effect of temperature and redox adjustment during the storage over 180 days of partial nitritation/anammox (PN/A) granular resp. floccular sludge from potato processing resp. sludge reject water treatment. Anoxic storage conditions (in the presence of nitrite or nitrate and the absence of oxygen) resulted in a loss of 80-100% of the anammox bacteria (AnAOB) activity capacity at 20 degrees C and 4 degrees C, while anaerobic conditions (without oxygen, nitrite, and nitrate) lost only 45-63%. Storage at 20 degrees C was more cost-effective compared to 4 degrees C, and this was confirmed in the sludge reactivation experiment (20 CC). Furthermore, AnAOB activity correlated negatively with the electrical conductivity level (R-2 > 0.85, p < 0.05), so strong salinity increases should be avoided. No significant differences were found in the activity capacity of aerobic ammonia-oxidizing bacteria (AerAOB) under different storage conditions (p > 0.1). The relative abundance of dominant AnAOB (Candidatus Brocadia) and AerAOB genera (Nitrosomonas) remained constant in both sludges. In conclusion, preserving PN/A biomass without cooling and nitrite or nitrate addition proved to be a cost-effective strategy. (C) 2021 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000740216300013	Publication Date	2021-10-28
	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	9.8	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 9.8
	Call Number	UA @ admin @ c:irua:185447			Serial	7213
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	Author	Zhang, Z.; Chen, X.; Shi, X.; Hu, Y.; Huang, J.; Liu, S.; Ren, Z.; Huang, H.; Han, G.; Van Tendeloo, G.; Tian, H.
	Title	Morphotropic phase boundary in pure perovskite lead titanate at room temperature			Type	A1 Journal article
	Year	2022	Publication	Materials Today Nano	Abbreviated Journal
	Volume	20	Issue		Pages	100275-5
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	For many decades, great efforts have been devoted to pursue a large piezoelectric response by an intelligent design of morphotropic phase boundaries (MPB) in solid solutions, where tetragonal (T) and rhombohedral (R) structures coexist. For example, classical PbZrxTi1-xO3 and Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystals demonstrate a giant piezoelectric response near MPB. However, as the end member of these solids, perovskite-structured PbTiO3 always adopts the T phase at room temperature. Here, we report a pathway to create room temperature MPB in a single-phase PbTiO3. The uniaxial stress along the c-axis drives a T-R phase transition bridged by a monoclinic (M) phase, which facilitates a polarization rotation in the monodomain PbTiO3. Meanwhile, we demonstrate that the coexistence of T and R phases at room temperature can be achieved via an extremely mismatched heterointerface system. The uniaxial pressure is proved as an efficient way to break the inherent symmetry and able to substantially tailor the phase transition temperature Tc. These findings provide new insights into MPB, offering the opportunity to explore the giant piezoelectric response in single-phase materials. (c) 2022 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000906548600002	Publication Date	2022-10-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2588-8420	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	10.3	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 10.3
	Call Number	UA @ admin @ c:irua:193477			Serial	7324
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	Author	Osorio-Tejada, J.; van't Veer, K.; Long, N.V.D.; Tran, N.N.; Fulcheri, L.; Patil, B.S.; Bogaerts, A.; Hessel, V.
	Title	Sustainability analysis of methane-to-hydrogen-to-ammonia conversion by integration of high-temperature plasma and non-thermal plasma processes			Type	A1 Journal article
	Year	2022	Publication	Energy Conversion And Management	Abbreviated Journal	Energ Convers Manage
	Volume	269	Issue		Pages	116095
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The Covid era has made us aware of the need for resilient, self-sufficient, and local production. We are likely willing to pay an extra price for that quality. Ammonia (NH3) synthesis accounts for 2 % of global energy production and is an important point of attention for the development of green energy technologies. Therefore, we propose a thermally integrated process for H2 production and NH3 synthesis using plasma technology, and we evaluate its techno-economic performance and CO2 footprint by life cycle assessment (LCA). The key is to integrate energy-wise a high-temperature plasma (HTP) process, with a (low-temperature) non-thermal plasma (NTP) process and to envision their joint economic potential. This particularly means raising the temperature of the NTP process, which is typically below 100 ◦ C, taking advantage of the heat released from the HTP process. For that purpose, we proposed the integrated process and conducted chemical kinetics simulations in the NTP section to determine the thermodynamically feasible operating window of this novel combined plasma process. The results suggest that an NH3 yield of 2.2 mol% can be attained at 302 ◦ C at an energy yield of 1.1 g NH3/kWh. Cost calculations show that the economic performance is far from commercial, mainly because of the too low energy yield of the NTP process. However, when we base our costs on the best literature value and plausible future scenarios for the NTP energy yield, we reach a cost prediction below 452 $/tonne NH3, which is competitive with conventional small-scale Haber-Bosch NH3 synthesis for distributed production. In addition, we demonstrate that biogas can be used as feed, thus allowing the proposed integrated reactor concept to be part of a biogas-to-ammonia circular concept. Moreover, by LCA we demonstrate the environmental benefits of the proposed plant, which could cut by half the carbon emissions when supplied by photovoltaic electricity, and even invert the carbon balance when supplied by wind power due to the avoided emissions of the carbon black credits.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000880662100007	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0196-8904	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	10.4	Times cited		Open Access	OpenAccess
	Notes	European Research Council; European Commission, 810182 ; The authors acknowledge support from the ERC Synergy Grant “Surface-COnfined fast modulated Plasma for process and Energy intensification” (SCOPE), from the European Commission, with Grant No. 810182.			Approved	Most recent IF: 10.4
	Call Number	PLASMANT @ plasmant @c:irua:191785			Serial	7103
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	Author	Achari, A.; Bekaert, J.; Sreepal, V.; Orekhov, A.; Kumaravadivel, P.; Kim, M.; Gauquelin, N.; Pillai, P.B.; Verbeeck, J.; Peeters, F.M.; Geim, A.K.; Milošević, M.V.; Nair, R.R.
	Title	Alternating superconducting and charge density wave monolayers within bulk 6R-TaS₂			Type	A1 Journal article
	Year	2022	Publication	Nano letters	Abbreviated Journal	Nano Lett
	Volume	22	Issue	15	Pages	6268-6275
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	Van der Waals (vdW) heterostructures continue to attract intense interest as a route of designing materials with novel properties that cannot be found in nature. Unfortunately, this approach is currently limited to only a few layers that can be stacked on top of each other. Here, we report a bulk vdW material consisting of superconducting 1H TaS2 monolayers interlayered with 1T TaS2 monolayers displaying charge density waves (CDW). This bulk vdW heterostructure is created by phase transition of 1T-TaS2 to 6R at 800 degrees C in an inert atmosphere. Its superconducting transition (T-c) is found at 2.6 K, exceeding the T-c of the bulk 2H phase. Using first-principles calculations, we argue that the coexistence of superconductivity and CDW within 6R-TaS2 stems from amalgamation of the properties of adjacent 1H and 1T monolayers, where the former dominates the superconducting state and the latter the CDW behavior.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000831832100001	Publication Date	2022-07-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1530-6984	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	10.8	Times cited	8	Open Access	OpenAccess
	Notes	This work was supported by the Royal Society, the Leverhulme Trust (PLP-2018-220), the Engineering and Physical Sciences Research Council (EP/N005082/1), and European Research Council (contract 679689). The authors acknowledge the use of the facilities at the Henry Royce Institute and associated support services. J.B. is a postdoctoral fellow of Research Foundation-Flanders (FWO-Vlaanderen). Computational resources were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Governmentdepartment EWI. This work was also performed under a transnational access provision funded by the European Union under the Horizon 2020 programme within a contract for Integrating Activities for Advanced Communities No 823717 − ESTEEM3; esteem3reported; esteem3jra			Approved	Most recent IF: 10.8
	Call Number	UA @ admin @ c:irua:189495			Serial	7077
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	Author	Gobato, Y.G.; de Brito, C.S.; Chaves, A.; Prosnikov, M.A.; Wozniak, T.; Guo, S.; Barcelos, I.D.; Milošević, M.V.; Withers, F.; Christianen, P.C.M.
	Title	Distinctive g-factor of Moire-confined excitons in van der Waals heterostructures			Type	A1 Journal article
	Year	2022	Publication	Nano letters	Abbreviated Journal	Nano Lett
	Volume	22	Issue	21	Pages	8641-8641
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	We investigated the valley Zeeman splitting of excitonic peaks in the microphotoluminescence (mu PL) spectra of high-quality hBN/WS2/MoSe2/hBN heterostructures under perpendicular magnetic fields up to 20 T. We identify two neutral exciton peaks in the mu PL spectra; the lower-energy peak exhibits a reduced g-factor relative to that of the higher energy peak and much lower than the recently reported values for interlayer excitons in other van der Waals (vdW) heterostructures. We provide evidence that such a discernible g-factor stems from the spatial confinement of the exciton in the potential landscape created by the moire pattern due to lattice mismatch or interlayer twist in heterobilayers. This renders magneto-mu PL an important tool to reach a deeper understanding of the effect of moire patterns on excitonic confinement in vdW heterostructures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000877287800001	Publication Date	2022-10-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1530-6984	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	10.8	Times cited	3	Open Access	OpenAccess
	Notes				Approved	Most recent IF: 10.8
	Call Number	UA @ admin @ c:irua:192166			Serial	7298
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