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Author	Yang, M.; Chen, H.; Orekhov, A.; Lu, Q.; Lan, X.; Li, K.; Zhang, S.; Song, M.; Kong, Y.; Schryvers, D.; Du, Y.
Title	Quantified contribution of β″ and β′ precipitates to the strengthening of an aged Al–Mg–Si alloy			Type	A1 Journal article
Year	2020	Publication	Materials Science And Engineering A-Structural Materials Properties Microstructure And Processing	Abbreviated Journal	Mat Sci Eng A-Struct
Volume	774	Issue		Pages	138776
Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract	It is generally believed that β00 precipitates, rather than β0 precipitates, are the major strengthening precipitates in aged Al–Mg–Si alloys. The reason for this difference is not well understood. To clarify this, two samples of the same Al–Mg–Si alloy but with different aging states were prepared. The under-aged sample only contains nanoprecipitates of the β00 type, while the peak-aged one contains nearly equal volumes of β00 and β0 precipitates. We have, for the first time, separated the strengthening effect of the contribution from βʺ and βʹ precipitates, respectively, by an indirect approach based on high-precision measurements of volume fractions, number densities, sizes, proportions of the precipitates, their lattice strains, the composition and grain size of the matrix. The β0 precipitates, which take 45.6% of the total precipitate volume in the peak-aged sample, contribute to the entire precipitation strengthening by only 31.6%. The main reason why they are less useful compared to β00 precipitates has been found to be associated with their smaller lattice strains relative to the matrix, which is 0.99% versus 2.10% (for β00 ).
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000514747200001	Publication Date	2019-12-04
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0921-5093	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	6.4	Times cited		Open Access	OpenAccess
Notes	National Natural Science Foundation of China, 51531009 51711530713 51501230 ; Central South University, 2018gczd033 ; Flemish Science Foundation, VS.026.18N ; Program for Guangdong Introducing Innovative and Entrepreneurial Teams, 2016ZT06G025 ; Guangdong Natural Science Foundation, 2017B030306014 ;			Approved	Most recent IF: 6.4; 2020 IF: 3.094
Call Number	EMAT @ emat @c:irua:165290			Serial	5440
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Author	Bafekry, A.
Title	Graphene-like BC₆N single-layer: tunable electronic and magnetic properties via thickness, gating, topological defects, and adatom/molecule			Type	A1 Journal article
Year	2020	Publication	Physica E-Low-Dimensional Systems & Nanostructures	Abbreviated Journal	Physica E
Volume	118	Issue		Pages	113850-15
Keywords	A1 Journal article; Condensed Matter Theory (CMT)
Abstract	By using density functional theory-based first-principles calculations, we investigate the structural, electronic, optical, and transport properties of pristine single-layer BC6N. Under different external actions and functionalization. Increasing the thickness of the structure results in a decrease of the band gap. Applying a perpendicular electric field decreases the band gap and a semiconductor-to-topological insulator transition is revealed. Uniaxial and biaxial strains of +8% result in a semiconductor-to-metal transition. Nanoribbons of BC6N having zigzag edge with even (odd) values of widths, become metal (semiconductor), while the armchair edge nanoribbons exhibit robust semiconducting behavior. In addition, we systematically investigate the effect of surface adatom and molecule, substitutional impurity and defect engineering on the electronic properties of single-layer BC6N and found transitions from metal to half-metal, to ferromagnetic metal, to dilute magnetic semiconductor, and even to spin-glass semiconductor. Furthermore we found that, topological defects including vacancies and Stone–Wales type, induce magnetism in single-layer BC6N.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000515321700032	Publication Date	2019-12-04
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1386-9477	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.3	Times cited	30	Open Access
Notes	; ;			Approved	Most recent IF: 3.3; 2020 IF: 2.221
Call Number	UA @ admin @ c:irua:169750			Serial	6530
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Author	Muhammad, S.; Wuyts, K.; Nuyts, G.; De Wael, K.; Samson, R.
Title	Characterization of epicuticular wax structures on leaves of urban plant species and its association with leaf wettability			Type	A1 Journal article
Year	2020	Publication	Urban Forestry & Urban Greening	Abbreviated Journal	Urban For Urban Gree
Volume	47	Issue	47	Pages	126557
Keywords	A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract	Epicuticular wax (EW) protects the plant’s integrity and acts as a barrier against biotic and abiotic stresses. The micro-structured three-dimensional EW’s and presence of leaf trichomes influence the wettability of a leaf surface. In this study, leaves of 96 perennial urban plant species were examined to determine an association between epicuticular wax structure (EWS) types and leaf wettability and investigate their seasonal variation. The EWS types were identified using Scanning Electron Microscopy (SEM), while leaf wettability was analyzed by measuring the drop contact angle (DCA) on both the abaxial and the adaxial sides of leaves collected from a common garden in June and September 2016. Four distinct EWS types namely thin film, platelets, crusts, and tubules were observed on leaves of investigated plant species in both June and September. The EWS types varied significantly between functional plant types and plant families in both June and September. In June, the abaxial DCA ranged from 56° to 147°, and the adaxial DCA ranged from 56° to 136°. In September, the abaxial DCA ranged from 54° to 130°, and the adaxial DCA ranged from 51° to 125°. The effect of time, leaf side, and EWS type on leaf wettability were significant. Plant species which showed a change in EWS type or clustering from June to September did not show a more pronounced reduction in DCA compared to those species which exhibited a constant EWS type. Findings from our study illustrate that DCA is not a good indicator in determining the different EWS types due to overlapping DCA intervals between the identified EWS types. However, the identified EWS types remained fairly stable throughout the in-leaf season and do not require repeated measurements for characterization.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000508389000028	Publication Date	2019-12-05
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1618-8667	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	6.4	Times cited	5	Open Access
Notes	; The research was funded by the Ontario Student Assistance Program (OSAP # 15103399). The SEM equipment was funded by FWO/Hercules. The authors acknowledge the help of the ENdEMIC group involved in the upkeep of the experimental site. The authors would like to thank the anonymous reviewers for their critical comments and constructive suggestions in improving the quality of the article. ;			Approved	Most recent IF: 6.4; 2020 IF: 2.113
Call Number	UA @ admin @ c:irua:164906			Serial	5504
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Author	Gonzalez-Garcia, A.; Lopez-Perez, W.; Gonzalez-Hernandez, R.; Rivera-Julio, J.; Espejo, C.; Milošević, M.V.; Peeters, F.M.
Title	Two-dimensional hydrogenated buckled gallium arsenide: an ab initio study			Type	A1 Journal article
Year	2020	Publication	Journal Of Physics-Condensed Matter	Abbreviated Journal	J Phys-Condens Mat
Volume	32	Issue	14	Pages	145502
Keywords	A1 Journal article; Condensed Matter Theory (CMT)
Abstract	First-principles calculations have been carried out to investigate the stability, structural and electronic properties of two-dimensional (2D) hydrogenated GaAs with three possible geometries: chair, zigzag-line and boat configurations. The effect of van der Waals interactions on 2D H-GaAs systems has also been studied. These configurations were found to be energetic and dynamic stable, as well as having a semiconducting character. Although 2D GaAs adsorbed with H tends to form a zigzag-line configuration, the energy differences between chair, zigzag-line and boat are very small which implies the metastability of the system. Chair and boat configurations display a – direct bandgap nature, while pristine 2D-GaAs and zigzag-line are indirect semiconductors. The bandgap sizes of all configurations are also hydrogen dependent, and wider than that of pristine 2D-GaAs with both PBE and HSE functionals. Even though DFT-vdW interactions increase the adsorption energies and reduce the equilibrium distances of H-GaAs systems, it presents, qualitatively, the same physical results on the stability and electronic properties of our studied systems with PBE functional. According to our results, 2D buckled gallium arsenide is a good candidate to be synthesized by hydrogen surface passivation as its group III-V partners 2D buckled gallium nitride and boron nitride. The hydrogenation of 2D-GaAs tunes the bandgap of pristine 2D-GaAs, which makes it a potential candidate for optoelectronic applications in the blue and violet ranges of the visible electromagnetic spectrum.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000507894400001	Publication Date	2019-12-11
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0953-8984	ISBN		Additional Links	UA library record; WoS full record
Impact Factor	2.7	Times cited		Open Access
Notes	; This work has been carried out by the financial support of Universidad del Norte and Colciencias (Administrative Department of Science, Technology and Research of Colombia) under Convocatoria 712-Convocatoria para proyectos de investigacion en Ciencias Basicas, ano 2015, Cod: 121571250192, Contrato 110-216. The authors gratefully acknowledge the support from the High Performance Computing core facility CalcUA and the TOPBOF project at the University of Antwerp, Belgium; and the computing time granted on the supercomputer Mogon at Johannes Gutenberg University Mainz (hpc.uni-mainz.de). ;			Approved	Most recent IF: 2.7; 2020 IF: 2.649
Call Number	UA @ admin @ c:irua:165644			Serial	6330
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Author	Wang, J.; Nguyen, M.D.; Gauquelin, N.; Verbeeck, J.; Do, M.T.; Koster, G.; Rijnders, G.; Houwman, E.
Title	On the importance of the work function and electron carrier density of oxide electrodes for the functional properties of ferroelectric capacitors			Type	A1 Journal article
Year	2020	Publication	Physica Status Solidi-Rapid Research Letters	Abbreviated Journal	Phys Status Solidi-R
Volume	14	Issue	14	Pages	1900520
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	It is important to understand the effect of the interfaces between the oxide electrode layers and the ferroelectric layer on the polarization response for optimizing the device performance of all-oxide ferroelectric devices. Herein, the effects of the oxide La0.07Ba0.93SnO3 (LBSO) as an electrode material in an PbZr0.52Ti0.48O3 (PZT) ferroelectric capacitor are compared with those of the more commonly used SrRuO3 (SRO) electrode. SRO (top)/PZT/SRO (bottom), SRO/PZT/LBSO, and SRO/PZT/2 nm SRO/LBSO devices are fabricated. Only marginal differences in crystalline properties, determined by X-ray diffraction and scanning transmission electron microscopy, are found. High-quality polarization loops are obtained, but with a much larger coercive field for the SRO/PZT/LBSO device. In contrast to the SRO/PZT/SRO device, the polarization decreases strongly with increasing field cycling. This fatigue problem can be remedied by inserting a 2 nm SRO layer between PZT and LBSO. It is argued that strongly increased charge injection into the PZT occurs at the bottom interface, because of the low PZT/LBSO interfacial barrier and the much lower carrier density in LBSO, as compared with that in SRO, causing a low dielectric constant, depleted layer in LBSO. The charge injection creates a trapped space charge in the PZT, causing the difference in fatigue behavior.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000506195600001	Publication Date	2019-12-12
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1862-6254	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.8	Times cited	6	Open Access	OpenAccess
Notes	; This work was supported by Nederlandse Organisatie voor Wetenschappelijk Onderzoek through grant no.13HTSM01. ;			Approved	Most recent IF: 2.8; 2020 IF: 3.032
Call Number	UA @ admin @ c:irua:165681			Serial	6316
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Author	Srivastava, A.; Van Passel, S.; Kessels, R.; Valkering, P.; Laes, E.
Title	Reducing winter peaks in electricity consumption: A choice experiment to structure demand response programs			Type	A1 Journal Article
Year	2020	Publication	Energy Policy	Abbreviated Journal	Energ Policy
Volume	137	Issue		Pages	111183
Keywords	A1 Journal Article; Engineering Management (ENM) ;
Abstract	Winter peaks in Belgian electricity demand are significantly higher than the summer peaks, creating a greater potential for imbalances between demand and supply. This potential is exacerbated because of the risk of outages in its ageing nuclear power plants, which are being phased out in the medium term. This paper conducts a choice experiment to investigate the acceptability of a load control-based demand response program in the winter months. It surveys 186 respondents on their willingness to accept limits on the use of home appliances in return for a compensation. Results indicate that respondents are most affected by the days of the week that their appliance usage would be curtailed, and by the compensation they would receive. The willingness to enroll in a program increases with age, environmental consciousness, home ownership, and lower privacy concerns. The analysis predicts that 95% of the sample surveyed could enroll in a daily load control program for a compen- sation of €41 per household per year. Thus while an initial rollout among older and more pro-environment homeowners could be successful, a wider implementation would require an explanation of its environmental and financial benefits to the population, and a greater consideration of their data privacy concerns.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000515439900040	Publication Date	2019-12-13
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0301-4215	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	9	Times cited		Open Access
Notes	The authors gratefully acknowledge the guidance offered by the Flemish Electricity Regulatory Agency (VREG), the Flemish Department for Environment, Nature, and Energy (LNE), and Guido Pepermans in designing the experiment. We are also grateful for the translations provided by Loic De Weerdt, and the support extended by Macarena MacLean Larrain in pre-testing the experiment. Finally, Roselinde Kes- sels thanks the Flemish Research Foundation (FWO) for her postdoctoral fellowship and the JMP Division of SAS Institute for further financial support.			Approved	Most recent IF: 9; 2020 IF: 4.14
Call Number	ENM @ enm @c:irua:167253			Serial	6348
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Author	Vishwakarma, M.; Agrawal, K.; Hadermann, J.; Mehta, B.R.
Title	Investigating the effect of sulphurization on volatility of compositions in Cu-poor and Sn-rich CZTS thin films			Type	A1 Journal article
Year	2020	Publication	Applied Surface Science	Abbreviated Journal	Appl Surf Sci
Volume	507	Issue		Pages	145043
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	In the present work, the Cu-poor and Sn-rich CZTS thin films were prepared in order to study the volatility of Sn with respect to other components. Thin film compositions were kept intentionally Sn-rich to understand the behaviour of loss and segregation of Sn during sulphurization. The homogeneous composition distribution in precursor thin films turns heterogeneous with a change in morphology after sulphurization. The inability of identifying nanoscale secondary phases in CZTS thin film by conventional analytical techniques such as XRD and Raman, can be fulfilled by employing HAADF-STEM analysis. XPS and HAADF-STEM analyses provide the quantification of nanoscale secondary phases across the thin film and surface, respectively. The volatility of Sn was revealed in the form of segregation in the middle layer of CZTS cross-sectional lamella rather than loss to annealing atmosphere. It was observed that among the cations of CZTS, Sn segregates more than Cu, while Zn segregates least. The nanoscale spurious phases were observed to vary across different regions in the sulphurized CZTS sample. The reactive annealing lead to grain growth and formation of grain boundary features in the CZTS thin films, where annealing significantly modifies the potential difference and band bending at grain boundaries with respect to intra-grains.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000520021200053	Publication Date	2019-12-13
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	6.7	Times cited	4	Open Access	OpenAccess
Notes	; Authors acknowledges support provided by DST, India in the forms of InSOL project. We also acknowledge Dr. Indrani Mishra for XPS measurements and DST-FIST Raman facility for Raman measurements. Manoj Vishwakarma acknowledges IIT Delhi, New Delhi, India for MHRD fellowship. Prof. B.R. Mehta acknowledges the support of the Schlumberger chair professorship. ;			Approved	Most recent IF: 6.7; 2020 IF: 3.387
Call Number	UA @ admin @ c:irua:168603			Serial	6552
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Author	Ciocarlan, R.-G.; Seftel, E.M.; Gavrila, R.; Suchea, M.; Batuk, M.; Mertens, M.; Hadermann, J.; Cool, P.
Title	Spinel nanoparticles on stick-like Freudenbergite nanocomposites as effective smart-removal photocatalysts for the degradation of organic pollutants under visible light			Type	A1 Journal article
Year	2020	Publication	Journal Of Alloys And Compounds	Abbreviated Journal	J Alloy Compd
Volume	820	Issue		Pages	153403
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Abstract	A series of mixed nanocomposite materials was synthetized, containing a Ferrite phase type Zn1-xNixFe2O4 and a Freudenbergite phase type Na2Fe2Ti6O16, where x = 0; 0.2; 0.4; 0.6; 0.8; 1. The choice for this combination is based on the good adsorption properties of Freudenbergite for dye molecules, and the small bandgap energy of Ferrite spinel, allowing activation of the catalysts under visible light irradiation. A two steps synthesis protocol was used to obtain the smart-removal nanocomposites. Firstly, the spinel structure was obtained via the co-precipitation route followed by the addition of the Ti-source and formation of the Freudenbergite system. The role of cations on the formation mechanism and an interesting interchange of cations between spinel and Freudenbergite structures was clarified by a TEM study. Part of the Ti4+ penetrated the spinel structure and, at the same time, part of the Fe3+ formed the Freudenbergite system. The photocatalytic activity was studied under visible light, reaching for the best catalysts a 67% and 40% mineralization degree for methylene blue and rhodamine 6G respectively, after 6 h of irradiation. In the same conditions, the well-known commercial P25 (Degussa) managed to mineralize only 12% and 3% of methylene blue and rhodamine 6G, respectively. Due to the remarkable magnetic properties of Ferrites, a convenient recovery and reuse of the catalysts is possible after the photocatalytic tests. Based on the excellent catalytic performance of the nanocomposites under visible light and their ease of separation out of the solution after the catalytic reaction, the newly developed composite catalysts are considered very effective for wastewater treatment.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000507854700130	Publication Date	2019-12-15
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0925-8388	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	6.2	Times cited		Open Access	OpenAccess
Notes	The authors acknowledge the FWO-Flanders (project nr. G038215N) for financial support.			Approved	Most recent IF: 6.2; 2020 IF: 3.133
Call Number	EMAT @ emat @c:irua:166447			Serial	6342
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Author	Spiller, M.; Muys, M.; Papini, G.; Sakarika, M.; Buyle, M.; Vlaeminck, S.E.
Title	Environmental impact of microbial protein from potato wastewater as feed ingredient : comparative consequential life cycle assessment of three production systems and soybean meal			Type	A1 Journal article
Year	2020	Publication	Water Research	Abbreviated Journal	Water Res
Volume	171	Issue		Pages	115406
Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Energy and Materials in Infrastructure and Buildings (EMIB)
Abstract	Livestock production is utilizing large amounts of protein-rich feed ingredients such as soybean meal. The proven negative environmental impacts of soybean meal production incentivize the search for alternative protein sources. One promising alternative is Microbial Protein (MP), i.e. dried microbial biomass. To date, only few life cycle assessments (LCAs) for MP have been carried out, none of which has used a consequential modelling approach nor has been investigating the production of MP on food and beverage wastewater. Therefore, the objective of this study is to evaluate the environmental impact of MP production on a food and beverage effluent as a substitute for soybean meal using a consequential modelling approach. Three different types of MP production were analysed, namely consortia containing Aerobic Heterotrophic Bacteria (AHB), Microalgae and AHB (MaB), and Purple Non-Sulfur Bacteria (PNSB). The production of MP was modelled for high-strength potato wastewater (COD = 10 kg/m3) at a flow rate of 1,000 m3/day. LCA results were compared against soybean meal production for the endpoint impact categories human health, ecosystems, and resources. Soybean meal showed up to 52% higher impact on human health and up to 87% higher impact on ecosystems than MP. However, energy-related aspects resulted in an 8–88% higher resource exploitation for MP. A comparison between the MP production systems showed that MaB performed best when considering ecosystems (between 13 and 14% better) and resource (between 71 and 80% better) impact categories, while AHB and PNSB had lower values for the impact category human health (8–12%). The sensitivity analysis suggests that the conclusions drawn are robust as in the majority of 1,000 Monte Carlo runs the initial results are confirmed. In conclusion, it is suggested that MP is an alternative protein source of comparatively low environmental impact that should play a role in the future protein transition, in particular when further process improvements can be implemented and more renewable or waste energy sources will be used.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000514748900032	Publication Date	2019-12-18
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0043-1354	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	12.8	Times cited	10	Open Access
Notes	; The authors would like to thank (i) the MIP i-Cleantech Flanders (Milieu innovatieplatform; Environment innovation platform) project Microbial Nutrients on Demand (MicroNOD; 150360) for financial support, (ii) the Research Foundation Flanders (FWO-Vlaanderen) for supporting Gustavo Papini with a doctoral fellowship (strategic basic research; 1S38917N), (iii) Research Foundation Flanders (FWO-Vlaanderen) for supporting Matthias Buyle with a post-doctoral fellowship (Postdoctoral Fellow junior; 1207520N), and (iv) Bo Weidema, Abbas Alloul, Yixing Sui and Tim Van Winckel for their insightful discussions. ;			Approved	Most recent IF: 12.8; 2020 IF: 6.942
Call Number	UA @ admin @ c:irua:164944			Serial	6509
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Author	Koch, K.; Samson, R.; Denys, S.
Title	Experimental and computational aerodynamic characterisation of urban trees			Type	A1 Journal article
Year	2020	Publication	Biosystems Engineering	Abbreviated Journal	Biosyst Eng
Volume	190	Issue		Pages	47-57
Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract	The Darcy–Forchheimer method is used for modelling the airflow through vegetation. Seven tree and shrub species with contrasting leaf morphologies were installed in a wind tunnel to allow pressure loss measurements across the plant section. Aerodynamic parameters derived from this experiment were inserted into a COMSOL Multiphysics computational fluid dynamics model. The model was confirmed to be a good predictor for airflow through vegetation (R2 = 0.98), regardless of plant morphology. Moreover, supplementing these data with results from a previous study (which considered herbaceous species) revealed a pattern of pressure loss data, that was already been normalised for plant area density. Although we propose further research into kinetic energy transfer in vegetation, this study provides sufficient interesting information for further applications and modelling to describe and predict urban ecology.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000512221700005	Publication Date	2019-12-18
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1537-5110	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	5.1	Times cited		Open Access
Notes	; This work was supported by the VLAIO-VIS project 'Green building: green walls for sustainable buildings and cities' (140993) and the FWO-SBO project 'EcoCities: Green roofs and walls as a source for ecosystem services in future cities' (S002818N). ;			Approved	Most recent IF: 5.1; 2020 IF: 2.044
Call Number	UA @ admin @ c:irua:164883			Serial	6516
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Author	Kertik, A.; Wee, L.H.; Şentosun, K.; Navarro, J.A.R.; Bals, S.; Martens, J.A.; Vankelecom, I.F.J.
Title	High-performance CO2-selective hybrid membranes by exploiting MOF-breathing effects			Type	A1 Journal article
Year	2020	Publication	Acs Applied Materials & Interfaces	Abbreviated Journal	Acs Appl Mater Inter
Volume	12	Issue	2	Pages	2952-2961
Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract	Conventional CO2 separation in the petrochemical industry via cryogenic distillation or amine-based absorber-stripper units is energy-intensive and environmentally unfriendly. Membrane-based gas separation technology, in contrast, has contributed significantly to the development of energy-efficient systems for processes such as natural gas purification. The implementation of commercial polymeric membranes in gas separation processes is restricted by their permeability-selectivity trade-off and by their insufficient thermal and chemical stability. Herein, we present the fabrication of a Matrimid-based membrane loaded with a breathing metal-organic framework (MOF) (NH2-MIL-53(Al)) which is capable of separating binary CO2/CH4 gas mixtures with high selectivities without sacrificing much of its CO2 permeabilities. NH2-MIL-53(Al) crystals were embedded in a polyimide (PI) matrix, and the mixed-matrix membranes (MMMs) were treated at elevated temperatures (up to 350 degrees C) in air to trigger PI cross-linking and to create PI-MOF bonds at the interface to effectively seal the grain boundary. Most importantly, the MOF transitions from its narrow-pore form to its large-pore form during this treatment, which allows the PI chains to partly penetrate the pores and cross-link with the amino functions at the pore mouth of the NH2-MIL-53(Al) and stabilizes the open-pore form of NH2-MIL-53(Al). This cross-linked MMM, with MOF pore entrances was made more selective by the anchored PI-chains and achieves outstanding CO2/CH4 selectivities. This approach provides significant advancement toward the design of selective MMMs with enhanced thermal and chemical stabilities which could also be applicable for other potential applications, such as separation of hydrocarbons (olefin/paraffin or isomers), pervaporation, and solvent-resistant nanofiltration.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000508464500108	Publication Date	2019-12-20
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	26	Open Access	OpenAccess
Notes	; A.K. is grateful to the Erasmus Mundus Doctorate in Membrane Engineering (EUDIME) programme. L.H.W. thanks the FWO-Vlaanderen for a postdoctoral research fellowships under contract number 12M1418N. We thank Methusalem and IAP-PAI for research funding. S.B. acknowledges financial support from European Research Council (ERC) (ERC Starting Grant No. 335078-COLOURATOM). We are also grateful to Frank Mathijs (KU Leuven) for the mechanical tests, Bart Goderis and Olivier Verkinderen for the DSC measurements, and Huntsman (Switzerland) for providing the Matrimid polymer. ;			Approved	Most recent IF: 9.5; 2020 IF: 7.504
Call Number	UA @ admin @ c:irua:166576			Serial	6534
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Author	Lavor, I.R.; da Costa, D.R.; Chaves, A.; Farias, G.A.; Macedo, R.; Peeters, F.M.
Title	Magnetic field induced vortices in graphene quantum dots			Type	A1 Journal article
Year	2020	Publication	Journal Of Physics-Condensed Matter	Abbreviated Journal	J Phys-Condens Mat
Volume	32	Issue	15	Pages	155501
Keywords	A1 Journal article; Condensed Matter Theory (CMT)
Abstract	The energy spectrum and local current patterns in graphene quantum dots (QD) are investigated for different geometries in the presence of an external perpendicular magnetic field. Our results demonstrate that, for specific geometries and edge configurations, the QD exhibits vortex and anti-vortex patterns in the local current density, in close analogy to the vortex patterns observed in the probability density current of semiconductor QD, as well as in the order parameter of mesoscopic superconductors.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000520149200001	Publication Date	2019-12-20
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0953-8984	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.7	Times cited	5	Open Access
Notes	; This work was financially supported by the CAPES foundation and CNPq (Science Without Borders, PQ and FUNCAP/PRONEX programs). ;			Approved	Most recent IF: 2.7; 2020 IF: 2.649
Call Number	UA @ admin @ c:irua:167670			Serial	6558
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Author	Rumyantseva, M.N.; Vladimirova, S.A.; Platonov, V.B.; Chizhov, A.S.; Batuk, M.; Hadermann, J.; Khmelevsky, N.O.; Gaskov, A.M.
Title	Sub-ppm H2S sensing by tubular ZnO-Co3O4 nanofibers			Type	A1 Journal article
Year	2020	Publication	Sensors And Actuators B-Chemical	Abbreviated Journal	Sensor Actuat B-Chem
Volume	307	Issue		Pages	127624
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Tubular ZnO – Co3O4 nanofibers were co-electrospun from polymer solution containing zinc and cobalt acetates. Phase composition, cobalt electronic state and element distribution in the fibers were investigated by XRD, SEM, HRTEM, HAADF-STEM with EDX mapping, and XPS. Bare ZnO has high selective sensitivity to NO and NO2, while ZnO-Co3O4 composites demonstrate selective sensitivity to H2S in dry and humid air. This effect is discussed in terms of transformation of cobalt oxides into cobalt sulfides and change in the acidity of ZnO oxide surface upon cobalt doping. Reduction in response and recovery time is attributed to the formation of a tubular structure facilitating gas transport through the sensitive layer.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000508110400059	Publication Date	2019-12-24
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0925-4005	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	5.401	Times cited		Open Access	Not_Open_Access
Notes	This work was supported by RFBR grants No. 18-03-00091 and No. 18-03-00580.			Approved	Most recent IF: NA
Call Number	EMAT @ emat @c:irua:166449			Serial	6343
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Author	Bafekry, A.; Stampfl, C.; Akgenc, B.; Ghergherehchi, M.
Title	Control of C3N4 and C4N3 carbon nitride nanosheets' electronic and magnetic properties through embedded atoms			Type	A1 Journal article
Year	2020	Publication	Physical Chemistry Chemical Physics	Abbreviated Journal	Phys Chem Chem Phys
Volume	22	Issue	4	Pages	2249-2261
Keywords	A1 Journal article; Condensed Matter Theory (CMT)
Abstract	In the present work, the effect of various embedded atom impurities on tuning electronic and magnetic properties of C3N4 and C4N3 nanosheets have been studied using first-principles calculations. Our calculations show that C3N4 is a semiconductor and it exhibits extraordinary electronic properties such as dilute-magnetic semiconductor (with H, F, Cl, Be, V, Fe and Co); metal (with N, P, Mg and Ca), half-metal (with Li, Na, K, Al, Sc, Cr, Mn, and Cu) and semiconductor (with O, S, B, C, Si, Ti, Ni and Zn) with the band gaps in the range of 0.3-2.0 eV depending on the species of embedded atom. The calculated electronic properties reveal that C4N3 is a half-metal and it retains half-metallic character with embedded H, O, S, F, B, N, P, Be, Mg, Al, Sc, V, Fe, Ni and Zn atoms. The substitution of Cl, C, Cr and Mn atoms create ferromagnetic-metal character in the C4N3 nanosheet, embedded Co and Cu atoms exhibit a dilute-magnetic semiconductor nature, and embedded Ti atoms result in the system becoming a semiconductor. Therefore, our results reveal the fact that the band gap and magnetism can be modified or induced by various atom impurities, thus, offering effective possibilities to tune the electronic and magnetic properties of C3N4 and C4N3 nanosheets.
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Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000510729400042	Publication Date	2019-12-24
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1463-9076; 1463-9084	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.3	Times cited	18	Open Access
Notes	; This work has supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). B. Akgenc acknowledges financial support the Kirklareli University-BAP under the Project No 189 and TUBITAK ULAKBIM, High Performance and Grid Computing Center. ;			Approved	Most recent IF: 3.3; 2020 IF: 4.123
Call Number	UA @ admin @ c:irua:166553			Serial	6476
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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	Vishwakarma, M.; Varandani, D.; Hendrickx, M.; Hadermann, J.; Mehta, B.R.
Title	Nanoscale photovoltage mapping in CZTSe/CuxSe heterostructure by using kelvin probe force microscopy			Type	A1 Journal article
Year	2020	Publication	Materials Research Express	Abbreviated Journal
Volume	7	Issue	1	Pages	016418
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	In the present work, kelvin probe force microscopy (KPFM) technique has been used to study the CZTSe/CuxSe bilayer interface prepared by multi-step deposition and selenization process of metal precursors. Transmission electron microscopy (TEM) confirmed the bilayer configuration of the CZTSe/CuxSe sample. Two configuration modes (surface mode and junction mode) in KPFM have been employed in order to measure the junction voltage under illumination conditions. The results show that CZTSe/CuxSe has small junction voltage of similar to 21 mV and the presence of CuxSe secondary phase in the CZTSe grain boundaries changes the workfunction of the local grain boundaries region. The negligible photovoltage difference between grain and grain boundaries in photovoltage image indicates that CuxSe phase deteriorates the higher photovoltage at grain boundaries normally observed in CZTSe based device. These results can be important for understanding the role of secondary phases in CZTSe based junction devices.
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Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000520120900001	Publication Date	2019-12-27
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN		ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor		Times cited		Open Access	OpenAccess
Notes	; Authors acknowledges support provided DST in the forms of InSOL and Indo-Swiss projects. We also acknowledge Joke Hadermann EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Belgium for helping in TEM measurements. M V Manoj Vishwakarma acknowledges IIT Delhi for MHRD fellowship. Prof B R Mehta acknowledges the support of the Schlumberger chair professorship. M V also acknowledges the support of DST-FIST Raman facility. ;			Approved	Most recent IF: NA
Call Number	UA @ admin @ c:irua:167843			Serial	6567
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Author	Almohammadi, G.; O'Modhrain, C.; Kelly, S.; Sullivan, J.A.
Title	Ti-doped SBA-15 catalysts used in phenol oxidation reactions			Type	A1 Journal article
Year	2020	Publication	ACS Omega	Abbreviated Journal
Volume	5	Issue	1	Pages	791-798
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	Two Ti-SBA-15 catalysts are synthesized using techniques that should either deposit Ti atoms specifically at the SBA-15 surface or allow Ti-containing species to exist at both the surface and within the bulk of SBA-15. The materials have been characterized by Fourier transform infrared (FTIR), Raman and UV visible spectroscopies, transmission electron microscopy, scanning electron microscopy/energy-dispersive X-ray spectrometry microscopies, and N-2 physisorption experiments. They have been applied in the total oxidation of phenol under catalytic wet air oxidation (CWAO) conditions and using photo- and plasma promotion. The materials retain the structure of SBA-15 following the doping in both cases and Ti incorporation is confirmed. The nature of the incorporated Ti remains unclear-with evidence for anatase TiO2 (from Raman and UV vis analysis) and evidence for atomically dispersed Ti from FTIR. In terms of reactivity, the presence of Ti in the in situ-prepared catalyst improves reactivity in the photopromoted reaction (increasing conversion from 28 to 60%), while both Ti catalysts improve reactivity in the CWAO reaction (by 7% over the in situ catalyst and by 25% over the grafted material). The presence of Ti has no beneficial effect on conversion in the plasma-promoted reaction. Here, however, Ti does affect the nature of the oxidized intermediates formed during the total phenol oxidation.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000507578300086	Publication Date	2019-12-30
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	2470-1343	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	4.1	Times cited		Open Access
Notes	; The KSA Ministry of Higher Education is acknowledged for providing G.A.'s studentship, and IRC funded the plasma work under grant ref: GOIPD/2017/1000. ;			Approved	Most recent IF: 4.1; 2020 IF: NA
Call Number	UA @ admin @ c:irua:166578			Serial	6629
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Author	Ciftci, S.; Cánovas, R.; Neumann, F.; Paulraj, T.; Nilsson, M.; Crespo, G.A.; Madaboosi, N.
Title	The sweet detection of rolling circle amplification : glucose-based electrochemical genosensor for the detection of viral nucleic acid			Type	A1 Journal article
Year	2020	Publication	Biosensors & Bioelectronics	Abbreviated Journal	Biosens Bioelectron
Volume	151	Issue		Pages	112002-112008
Keywords	A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract	Herein, an isothermal padlock probe-based assay for the simple and portable detection of pathogens coupled with a glucose oxidase (GOx)-based electrochemical readout is reported. Infectious diseases remain a constant threat on a global scale, as in recurring pandemics. Rapid and portable diagnostics hold the promise to tackle the spreading of diseases and decentralising healthcare to point-of-care needs. Ebola, a hypervariable RNA virus causing fatalities of up to 90% for recent outbreaks in Africa, demands immediate attention for bedside diagnostics. The design of the demonstrated assay consists of a rolling circle amplification (RCA) technique, responsible for the generation of nucleic acid amplicons as RCA products (RCPs). The RCPs are generated on magnetic beads (MB) and subsequently, connected via streptavidin-biotin bonds to GOx. The enzymatic catalysis of glucose by the bound GOx allows for an indirect electrochemical measurement of the DNA target. The RCPs generated on the surface of the MB were confirmed by scanning electron microscopy, and among other experimental conditions such as the type of buffer, temperature, concentration of GOx, sampling and measurement time were evaluated for the optimum electrochemical detection. Accordingly, 125 μg mL−1 of GOx with 5 mM glucose using phosphate buffer saline (PBS), monitored for 1 min were selected as the ideal conditions. Finally, we assessed the analytical performance of the biosensing strategy by using clinical samples of Ebola virus from patients. Overall, this work provides a proof-of-concept bioassay for simple and portable molecular diagnostics of emerging pathogens using electrochemical detection, especially in resource-limited settings.
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Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos		Publication Date	2019-12-30
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0956-5663	ISBN		Additional Links	UA library record
Impact Factor	12.6	Times cited		Open Access
Notes				Approved	Most recent IF: 12.6; 2020 IF: 7.78
Call Number	UA @ admin @ c:irua:184379			Serial	8630
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Author	Fret, J.; Roef, L.; Diels, L.; Tavernier, S.; Vyverman, W.; Michiels, M.
Title	Combining medium recirculation with alternating the microalga production strain : a laboratory and pilot scale cultivation test			Type	A1 Journal article
Year	2020	Publication	Algal Research-Biomass Biofuels And Bioproducts	Abbreviated Journal	Algal Res
Volume	46	Issue		Pages	101763
Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS)
Abstract	Reuse of growth medium after biomass harvesting is a cost-saving approach to improve the economic feasibility of algae mass cultivation. Algal exudates, cell debris and varying amounts of residual nutrients, impose challenges to the recycling of spent medium. In this study, the potential of combining reused medium from different algae species for growing monocultures of other algal strains was evaluated by making use of three successive cultivation setups with increasing volume; 400 mL in turbidostat mode, 2.6 L and 220 L in semi-continuous mode. Cultivation on replenished medium derived from Nannochloropsis sp. and Tisochrysis lutea, had no adverse effect on the productivity of either of the strains, regardless of whether they were grown in their own recycled medium or that of the other alga. Microfiltration of the reused medium proved to be sufficient to avoid cross-contamination. Moreover, a substantial average reduction in water footprint (77%) and nutrient cost (68% or 9 (sic).kg(-1) dry biomass) was achieved. Extension and validation of the medium recycling approach to other economically interesting algae species can contribute to improving the economic feasibility of large scale microalgae production systems.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000512364900013	Publication Date	2020-01-02
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	2211-9264	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	5.1	Times cited	4	Open Access
Notes	; This work was financially supported by the Agency for Innovation by Science and Technology, Flanders (IWT Baekeland mandatory Jorien Fret, project no. 100678). We thank Kayawe Valentine Mubiana from the Systemic Physiological and Ecotoxicological Research group, University of Antwerp, for the assistance in the analysis of the trace elements. ;			Approved	Most recent IF: 5.1; 2020 IF: 3.994
Call Number	UA @ admin @ c:irua:167742			Serial	6471
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Author	Anaf, W.; Cabal, A.; Robbe, M.; Schalm, O.
Title	Real-time wood behaviour : the use of strain gauges for preventive conservation applications			Type	A1 Journal article
Year	2020	Publication	Sensors	Abbreviated Journal
Volume	20	Issue	1	Pages	305
Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
Abstract	Within the heritage field, the application of strain gauges on wood surfaces is a little-explored but inexpensive and effective method to analyse the environmental appropriateness of rooms for the wooden heritage collections they contain. This contribution proposes a wood sensor connected to a data logger to identify short moments with an elevated risk of harm. Two experiments were performed to obtain insights pertaining to the applicability of wood sensors to evaluate preservation conditions. (1) The representativeness of strain gauges on dummies was tested for their use in evaluating the preservation conditions of a range of wooden objects exposed to the same environment. For this, three situations were mimicked: a bare wood surface, a wood surface covered with a preparation layer, and a wood surface covered with a preparation and varnish layer. (2) The usability of strain gauges to monitor the wood behaviour in real-time measurements was tested with a monitoring campaign of almost two years in a church where a new heating system was installed. The results of both experiments are promising, and the authors encourage a broader application of strain gauges in the heritage field.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000510493100305	Publication Date	2020-01-06
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN		ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor		Times cited		Open Access
Notes	; This research was funded by the Belgian Federal Public Planning Service Science Policy (BELSPO) under project number BR/132/A6/AIRCHECQ. ;			Approved	Most recent IF: NA
Call Number	UA @ admin @ c:irua:166595			Serial	6592
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Author	Choukroun, D.; Daems, N.; Kenis, T.; Van Everbroeck, T.; Hereijgers, J.; Altantzis, T.; Bals, S.; Cool, P.; Breugelmans, T.
Title	Bifunctional nickel-nitrogen-doped-carbon-supported copper electrocatalyst for CO₂ reduction			Type	A1 Journal article
Year	2020	Publication	Journal Of Physical Chemistry C	Abbreviated Journal	J Phys Chem C
Volume	124	Issue	124	Pages	1369-1381
Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Applied Electrochemistry & Catalysis (ELCAT)
Abstract	Bifunctionality is a key feature of many industrial catalysts, supported metal clusters and particles in particular, and the development of such catalysts for the CO2 reduction reaction (CO2RR) to hydrocarbons and alcohols is gaining traction in light of recent advancements in the field. Carbon-supported Cu nanoparticles are suitable candidates for integration in the state-of-the-art reaction interfaces, and here, we propose, synthesize, and evaluate a bifunctional Ni–N-doped-C-supported Cu electrocatalyst, in which the support possesses active sites for selective CO2 conversion to CO and Cu nanoparticles catalyze either the direct CO2 or CO reduction to hydrocarbons. In this work, we introduce the scientific rationale behind the concept, its applicability, and the challenges with regard to the catalyst. From the practical aspect, the deposition of Cu nanoparticles onto carbon black and Ni–N–C supports via an ammonia-driven deposition precipitation method is reported and explored in more detail using X-ray diffraction, thermogravimetric analysis, and hydrogen temperature-programmed reduction. High-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) and energy-dispersive X-ray spectroscopy (EDXS) give further evidence of the presence of Cu-containing nanoparticles on the Ni–N–C supports while revealing an additional relationship between the nanoparticle’s composition and the electrode’s electrocatalytic performance. Compared to the benchmark carbon black-supported Cu catalysts, Ni–N–C-supported Cu delivers up to a 2-fold increase in the partial C2H4 current density at −1.05 VRHE (C1/C2 = 0.67) and a concomitant 10-fold increase of the CO partial current density. The enhanced ethylene production metrics, obtained by virtue of the higher intrinsic activity of the Ni–N–C support, point out toward a synergistic action between the two catalytic functionalities.
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Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000508467700015	Publication Date	2020-01-07
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1932-7447; 1932-7455	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.7	Times cited	24	Open Access	OpenAccess
Notes	; N.D. acknowledges sponsoring from the research foundation of Flanders (FWO) in the frame of a postdoctoral grant (12Y3919N N.D.). J.H. greatly acknowledges the Research Foundation Flanders (FWO) for support through a postdoctoral fellowship (28761). T.V.E. and P.C. acknowledge financial support from the EU-Partial-PGMs project (H2020NMP-686086). The authors also acknowledge financial support from the university research fund (BOF-GOA PS ID No. 33928). ;			Approved	Most recent IF: 3.7; 2020 IF: 4.536
Call Number	UA @ admin @ c:irua:165326			Serial	6286
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Author	Smith, J.D.; Bladt, E.; Burkhart, J.A.C.; Winckelmans, N.; Koczkur, K.M.; Ashberry, H.M.; Bals, S.; Skrabalak, S.E.
Title	Defect‐Directed Growth of Symmetrically Branched Metal Nanocrystals			Type	A1 Journal article
Year	2020	Publication	Angewandte Chemie (International ed. Print)	Abbreviated Journal	Angew. Chem.
Volume	132	Issue	132	Pages	953-960
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Branched plasmonic nanocrystals (NCs) have attracted much attention due to electric field enhancements at their tips. Seeded growth provides routes to NCs with defined branching patterns and, in turn, near‐field distributions with defined symmetries. Here, a systematic analysis was undertaken in which seeds containing different distributions of planar defects were used to grow branched NCs in order to understand how their distributions direct the branching. Characterization of the products by multimode electron tomography and analysis of the NC morphologies at different overgrowth stages indicate that the branching patterns are directed by the seed defects, with the emergence of branches from the seed faces consistent with minimizing volumetric strain energy at the expense of surface energy. These results contrast with growth of branched NCs from single‐crystalline seeds and provide a new platform for the synthesis of symmetrically branched plasmonic NCs.
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Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000505279500063	Publication Date	2020-01-07
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0044-8249	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor		Times cited		Open Access	OpenAccess
Notes	The authors thank Samantha Harvey for her initial observations of branched structures, Alexander Chen for his help with SAED, the staff of the Nanoscale Characterization Facility (Dr. Yi Yi),Electron Microscopy Center (Dr. David Morgan and Dr. Barry Stein), and Molecular Strucre Center at Indiana University. J.S. recognizes a fellowship provided by the Indiana Space Grant Consortium. E. B. acknowledges a post-doctoral grant from the Research Foundation Flanders (FWO, Belgium). This project has received funding from the National Science Foundation (award number: 1602476), Research Corporation for Scietific Advancement (2017 Frontiers in Research Excellence and Discovery Award), and the European Union’s Horizon 2020 research and innovation program under grant agreement No 731019 (EUSMI) and No 815128 (REALNANO).; sygma			Approved	Most recent IF: NA
Call Number	EMAT @ emat @c:irua:166581			Serial	6336
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Author	Rutten, I.; Daems, D.; Lammertyn, J.
Title	Boosting biomolecular interactions through DNA origami nano-tailored biosensing interfaces			Type	A1 Journal article
Year	2020	Publication	Journal Of Materials Chemistry B	Abbreviated Journal	J Mater Chem B
Volume	8	Issue	16	Pages	3606-3615
Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract	The interaction between a bioreceptor and its target is key in developing sensitive, specific and robust diagnostic devices. Suboptimal interbioreceptor distances and bioreceptor orientation on the sensor surface, resulting from uncontrolled deposition, impede biomolecular interactions and lead to a decreased biosensor performance. In this work, we studied and implemented a 3D DNA origami design, for the first time comprised of assay specifically tailored anchoring points for the nanostructuring of the bioreceptor layer on the surface of disc-shaped microparticles in the continuous microfluidic environment of the innovative EvalutionTM platform. This bioreceptor immobilization strategy resulted in the formation of a less densely packed surface with reduced steric hindrance and favoured upward orientation. This increased bioreceptor accessibility led to a 4-fold enhanced binding kinetics and a 6-fold increase in binding efficiency compared to a directly immobilized non-DNA origami reference system. Moreover, the DNA origami nanotailored biosensing concept outperformed traditional aptamer coupling with respect to limit of detection (11 × improved) and signal-to-noise ratio (2.5 × improved) in an aptamer-based sandwich bioassay. In conclusion, our results highlight the potential of these DNA origami nanotailored surfaces to improve biomolecular interactions at the sensing surface, thereby increasing the overall performance of biosensing devices. The combination of the intrinsic advantages of DNA origami together with a smart design enables bottom-up nanoscale engineering of the sensor surface, leading towards the next generation of improved diagnostic sensing devices.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000548186500032	Publication Date	2020-01-09
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	2050-750x; 2050-7518	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	7	Times cited	2	Open Access
Notes	; We gratefully acknowledge financial support from Fund for Scientific Research (FWO, FWO-Flanders Doctoral grant Iene Rutten 1S30016N and FWO-Flanders Postdoctoral Fellow Devin Daems 12U1618N). We kindly thank MyCartis for access to their EvalutionTM platform, microparticle supplies and technical support. We would also like to thank Steven De Feyter and Joan Teyssandier (Molecular imaging and Photonics, Department of Chemistry, KU Leuven, Belgium) for providing the AFM facilities and technical support. We thank Peter Vangheluwe (Laboratory of Cellular Transport Systems, Department of Cellular and Molecular Medicine, KU Leuven) for access to their gel imaging system, Typhoon FLA 9000. ;			Approved	Most recent IF: 7; 2020 IF: 4.543
Call Number	UA @ admin @ c:irua:166104			Serial	6462
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Author	Vandekerckhove, T.G.L.; Props, R.; Carvajal-Arroyo, J.M.; Boon, N.; Vlaeminck, S.E.
Title	Adaptation and characterization of thermophilic anammox in bioreactors			Type	A1 Journal article
Year	2020	Publication	Water Research	Abbreviated Journal	Water Res
Volume	172	Issue		Pages	115462
Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract	Anammox, the oxidation of ammonium with nitrite, is a key microbial process in the nitrogen cycle. Under mesophilic conditions (below 40 °C), it is widely implemented to remove nitrogen from wastewaters lacking organic carbon. Despite evidence of the presence of anammox bacteria in high-temperature environments, reports on the cultivation of thermophilic anammox bacteria are limited to a short-term experiment of 2 weeks. This study showcases the adaptation of a mesophilic inoculum to thermophilic conditions, and its characterization. First, an attached growth technology was chosen to obtain the process. In an anoxic fixed-bed biofilm bioreactor (FBBR), a slow linear temperature increase from 38 to over 48 °C (0.05–0.07 °C d−1) was imposed to the community over 220 days, after which the reactor was operated at 48 °C for over 200 days. Maximum total nitrogen removal rates reached up to 0.62 g N L−1 d−1. Given this promising performance, a suspended growth system was tested. The obtained enrichment culture served as inoculum for membrane bioreactors (MBR) operated at 50 °C, reaching a maximum total nitrogen removal rate of 1.7 g N L−1 d−1 after 35 days. The biomass in the MBR had a maximum specific anammox activity of 1.1 ± 0.1 g NH4+-N g−1 VSS d−1, and the growth rate was estimated at 0.075–0.19 d−1. The thermophilic cultures displayed nitrogen stoichiometry ratios typical for mesophilic anammox: 0.93–1.42 g NO2--Nremoved g−1 NH4+-Nremoved and 0.16–0.35 g NO3--Nproduced g−1 NH4+-Nremoved. Amplicon and Sanger sequencing of the 16S rRNA genes revealed a disappearance of the original “Ca. Brocadia” and “Ca. Jettenia” taxa, yielding Planctomycetes members with only 94–95% similarity to “Ca. Brocadia anammoxidans” and “Ca. B. caroliniensis”, accounting for 45% of the bacterial FBBR community. The long-term operation of thermophilic anammox reactors and snapshot views on the nitrogen stoichiometry, kinetics and microbial community open up the development path of thermophilic partial nitritation/anammox. A first economic assessment highlighted that treatment of sludge reject water from thermophilic anaerobic digestion of sewage sludge may become attractive.
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Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000517663600014	Publication Date	2020-01-10
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0043-1354	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	12.8	Times cited	5	Open Access
Notes	; The authors acknowledge (i) the Agency for Innovation by Science and Technology (IWT Flanders) [grant number SB-141205] for funding T.G.L.V., (ii) Ghent University (BOFDOC2015000601) and the Belgian Nuclear Research Centre (SCK.CEN) for funding R.P., (iii) Bart De Gusseme from Farys/UGent for providing the hollow fiber membranes, (iv) Tim Lacoere for performing the DNA extraction and data processing of the Sanger sequencing and 16S rRNA gene amplicon sequencing data, (v) Tim Hendrickx from Paques BV for providing the inoculum, (vi) Bert Bundervoet and Wim Groen in 't Woud from Colsen for the valuable input on the economic assessment and (vii) Joop Colsen, Stijn Van Hulle, Mark Van Loosdrecht, Erik Smolders and Leen De Gelder for their constructive discussions on this work. ;			Approved	Most recent IF: 12.8; 2020 IF: 6.942
Call Number	UA @ admin @ c:irua:165392			Serial	6449
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Author	Quan, L.N.; Ma, D.; Zhao, Y.; Voznyy, O.; Yuan, H.; Bladt, E.; Pan, J.; de Arquer, F.P.G.; Sabatini, R.; Piontkowski, Z.; Emwas, A.-H.; Todorovic, P.; Quintero-Bermudez, R.; Walters, G.; Fan, J.Z.; Liu, M.; Tan, H.; Saidaminov, M., I; Gao, L.; Li, Y.; Anjum, D.H.; Wei, N.; Tang, J.; McCamant, D.W.; Roeffaers, M.B.J.; Bals, S.; Hofkens, J.; Bakr, O.M.; Lu, Z.-H.; Sargent, E.H.
Title	Edge stabilization in reduced-dimensional perovskites			Type	A1 Journal article
Year	2020	Publication	Nature Communications	Abbreviated Journal	Nat Commun
Volume	11	Issue	1	Pages	170
Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract	Reduced-dimensional perovskites are attractive light-emitting materials due to their efficient luminescence, color purity, tunable bandgap, and structural diversity. A major limitation in perovskite light-emitting diodes is their limited operational stability. Here we demonstrate that rapid photodegradation arises from edge-initiated photooxidation, wherein oxidative attack is powered by photogenerated and electrically-injected carriers that diffuse to the nanoplatelet edges and produce superoxide. We report an edge-stabilization strategy wherein phosphine oxides passivate unsaturated lead sites during perovskite crystallization. With this approach, we synthesize reduced-dimensional perovskites that exhibit 97 +/- 3% photoluminescence quantum yields and stabilities that exceed 300 h upon continuous illumination in an air ambient. We achieve green-emitting devices with a peak external quantum efficiency (EQE) of 14% at 1000 cd m(-2); their maximum luminance is 4.5 x 10(4) cd m(-2) (corresponding to an EQE of 5%); and, at 4000 cd m(-2), they achieve an operational half-lifetime of 3.5 h.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000551458200001	Publication Date	2020-01-10
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	2041-1723	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	16.6	Times cited	147	Open Access	OpenAccess
Notes	; This publication is based in part on work supported by an award (KUS-11-009-21) from the King Abdullah University of Science and Technology (KAUST), by the Ontario Research Fund Research Excellence Program, by the Ontario Research Fund (ORF), by the Natural Sciences and Engineering Research Council (NSERC) of Canada, and by the US Department of Navy, Office of Naval Research (Grant Award No. N00014-17-12524). H.Y. acknowledges the Research Foundation-Flanders (FWO Vlaanderen) for a postdoctoral fellowship. E.B. gratefully acknowledges financial support by the Research Foundation-Flanders (FWO Vlaanderen). S.B. acknowledges financial support from European Research Council (ERC Starting Grant #815128-REALNANO). M.B.J.R. and J.H. acknowledge the Research Foundation-Flanders (FWO, Grants G.0962.13, G.0B39.15, AKUL/11/14 and G0H6316N), KU Leuven Research Fund (C14/15/053) and the European Research Council under the European Union's Seventh Framework Programme (FP/2007-2013)/ ERC Grant Agreement No. [307523], ERC-Stg LIGHT to M.B.J.R. DFT calculations were performed on the IBM BlueGene Q supercomputer with support from the Southern Ontario Smart Computing Innovation Platform (SOSCIP). M.I.S. acknowledges the Banting Postdoctoral Fellowship program from the Natural Sciences and Engineering Research Council of Canada (NSERC). H.T. acknowledges the Netherlands Organisation for Scientific Research (NWO) for a Rubicon grant (680-50-1511). ; sygma			Approved	Most recent IF: 16.6; 2020 IF: 12.124
Call Number	UA @ admin @ c:irua:171327			Serial	6496
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Author	Bafekry, A.; Stampfl, C.; Peeters, F.M.
Title	Dirac half-metallicity of thin PdCl₃ nanosheets : investigation of the effects of external fields, surface adsorption and defect engineering on the electronic and magnetic properties			Type	A1 Journal article
Year	2020	Publication	Scientific Reports	Abbreviated Journal	Sci Rep-Uk
Volume	10	Issue	1	Pages	213-215
Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract	PdCl3 belongs to a novel class of Dirac materials with Dirac spin-gapless semiconducting characteristics. In this paper based, on first-principles calculations, we have systematically investigated the effect of adatom adsorption, vacancy defects, electric field, strain, edge states and layer thickness on the electronic and magnetic properties of PdCl3 (palladium trichloride). Our results show that when spin-orbital coupling is included, PdCl3 exhibits the quantum anomalous Hall effect with a non-trivial band gap of 24 meV. With increasing number of layers, from monolayer to bulk, a transition occurs from a Dirac half-metal to a ferromagnetic metal. On application of a perpendicular electrical field to bilayer PdCl3, we find that the energy band gap decreases with increasing field. Uniaxial and biaxial strain, significantly modifies the electronic structure depending on the strain type and magnitude. Adsorption of adatom and topological defects have a dramatic effect on the electronic and magnetic properties of PdCl3. In particular, the structure can become a metal (Na), half-metal (Be, Ca, Al, Ti, V, Cr, Fe and Cu with, respective, 0.72, 9.71, 7.14, 6.90, 9.71, 4.33 and 9.5 μB magnetic moments), ferromagnetic-metal (Sc, Mn and Co with 4.55, 7.93 and 2.0 μB), spin-glass semiconductor (Mg, Ni with 3.30 and 8.63 μB), and dilute-magnetic semiconductor (Li, K and Zn with 9.0, 9.0 and 5.80 μB magnetic moment, respectively). Single Pd and double Pd + Cl vacancies in PdCl3 display dilute-magnetic semiconductor characteristics, while with a single Cl vacancy, the material becomes a half-metal. The calculated optical properties of PdCl3 suggest it could be a good candidate for microelectronic and optoelectronics devices.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000562795700001	Publication Date	2020-01-14
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	2045-2322	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	4.6	Times cited	26	Open Access
Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl). We are thankful for comments by Sevil Sarikurt from the department of physics in Dokuz Eylul University. In addition, we acknowledge OpenMX team for OpenMX code. ;			Approved	Most recent IF: 4.6; 2020 IF: 4.259
Call Number	UA @ admin @ c:irua:169751			Serial	6483
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Author	Bal, K.M.; Bogaerts, A.; Neyts, E.C.
Title	Ensemble-Based Molecular Simulation of Chemical Reactions under Vibrational Nonequilibrium			Type	A1 Journal article
Year	2020	Publication	Journal Of Physical Chemistry Letters	Abbreviated Journal	J Phys Chem Lett
Volume	11	Issue	2	Pages	401-406
Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	We present an approach to incorporate the eﬀect of vibrational nonequilibrium in molecular dynamics (MD) simulations. A perturbed canonical ensemble, in which selected modes are excited to higher temperature while all others remain equilibrated at low temperature, is simulated by applying a speciﬁcally tailored bias potential. Our method can be readily applied to any (classical or quantum mechanical) MD setup at virtually no additional computational cost and allows the study of reactions of vibrationally excited molecules in nonequilibrium environments such as plasmas. In combination with enhanced sampling methods, the vibrational eﬃcacy and mode selectivity of vibrationally stimulated reactions can then be quantiﬁed in terms of chemically relevant observables, such as reaction rates and apparent free energy barriers. We ﬁrst validate our method for the prototypical hydrogen exchange reaction and then show how it can capture the eﬀect of vibrational excitation on a symmetric SN2 reaction and radical addition on CO2.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000508473400008	Publication Date	2020-01-16
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1948-7185	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	5.7	Times cited		Open Access
Notes	Universiteit Antwerpen; Fonds Wetenschappelijk Onderzoek, 12ZI420N ; Departement Economie, Wetenschap en Innovatie van de Vlaamse Overheid; K.M.B. was funded as a junior postdoctoral fellow of the FWO (Research Foundation − Flanders), Grant 12ZI420N, and through a TOP-BOF research project of the University of Antwerp. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government− department EWI.			Approved	Most recent IF: 5.7; 2020 IF: 9.353
Call Number	PLASMANT @ plasmant @c:irua:165587			Serial	5442
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Author	Polanco, C.A.; Pandey, T.; Berlijn, T.; Lindsay, L.
Title	Defect-limited thermal conductivity in MoS₂			Type	A1 Journal article
Year	2020	Publication	Physical review materials	Abbreviated Journal
Volume	4	Issue	1	Pages	014004-14009
Keywords	A1 Journal article; Condensed Matter Theory (CMT)
Abstract	The wide measured range of thermal conductivities (k) for monolayer MoS2 and the corresponding incongruent calculated values in the literature all suggest that extrinsic defect thermal resistance is significant and varied in synthesized samples of this material. Here we present defect-mediated thermal transport calculations of MoS2 using interatomic forces derived from density functional theory combined with Green's function methods to describe phonon-point-defect interactions and a Peierls-Boltzmann formalism for transport. Conductivity calculations for bulk and monolayer MoS2 using different density functional formalisms are compared. Nonperturbative first-principles methods are used to describe defect-mediated spectral functions, scattering rates, and phonon k, particularly from sulfur vacancies (VS), and in the context of the plethora of measured and calculated literature values. We find that k of monolayer MoS2 is sensitive to phonon-VS scattering in the range of experimentally observed densities, and that first-principles k calculations using these densities can explain the range of measured values found in the literature. Furthermore, measured k values for bulk MoS2 are more consistent because VS defects are not as prevalent.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000619240000001	Publication Date	2020-01-16
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	2475-9953	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.4	Times cited		Open Access
Notes				Approved	Most recent IF: 3.4; 2020 IF: NA
Call Number	UA @ admin @ c:irua:190510			Serial	7757
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Author	Peeters, H.; Keulemans, M.; Nuyts, G.; Vanmeert, F.; Li, C.; Minjauw, M.; Detavernier, C.; Bals, S.; Lenaerts, S.; Verbruggen, S.W.
Title	Plasmonic gold-embedded TiO2 thin films as photocatalytic self-cleaning coatings			Type	A1 Journal article
Year	2020	Publication	Applied Catalysis B-Environmental	Abbreviated Journal	Appl Catal B-Environ
Volume	267	Issue	267	Pages	118654
Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Sustainable Energy, Air and Water Technology (DuEL)
Abstract	Transparent photocatalytic TiO2 thin films hold great potential in the development of self-cleaning glass sur- faces, but suffer from a poor visible light response that hinders the application under actual sunlight. To alleviate this problem, the photocatalytic film can be modified with plasmonic nanoparticles that interact very effectively with visible light. Since the plasmonic effect is strongly concentrated in the near surroundings of the nano- particle surface, an approach is presented to embed the plasmonic nanostructures in the TiO2 matrix itself, rather than deposit them loosely on the surface. This way the interaction interface is maximised and the plasmonic effect can be fully exploited. In this study, pre-fabricated gold nanoparticles are made compatible with the organic medium of a TiO2 sol-gel coating suspension, resulting in a one-pot coating suspension. After spin coating, homogeneous, smooth, highly transparent and photoactive gold-embedded anatase thin films are ob- tained.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000518865300002	Publication Date	2020-01-18
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0926-3373	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	22.1	Times cited	57	Open Access	OpenAccess
Notes	H.P. is grateful to the Research Foundation Flanders (FWO) for an aspirant PhD scholarship.			Approved	Most recent IF: 22.1; 2020 IF: 9.446
Call Number	EMAT @ emat @c:irua:165616			Serial	5446
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Author	Attri, P.; Razzokov, J.; Yusupov, M.; Koga, K.; Shiratani, M.; Bogaerts, A.
Title	Influence of osmolytes and ionic liquids on the Bacteriorhodopsin structure in the absence and presence of oxidative stress: A combined experimental and computational study			Type	A1 Journal article
Year	2020	Publication	International Journal Of Biological Macromolecules	Abbreviated Journal	Int J Biol Macromol
Volume	148	Issue		Pages	657-665
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	Understanding the folding and stability of membrane proteins is of great importance in protein science. Recently, osmolytes and ionic liquids (ILs) are increasingly being used as drug delivery systems in the biopharmaceutical industry. However, the stability of membrane proteins in the presence of osmolytes and ILs is not yet fully understood. Besides, the effect of oxidative stress on membrane proteins with osmolytes or ILs has not been investigated. Therefore, we studied the inﬂuence of osmolytes and ILs as co-solvents on the stability of a model membrane protein (i.e., Bacteriorhodopsin in purple membrane of Halobacterium salinarum), using UV–Vis spectroscopy and molecular dynamics (MD) simulations. The MD simulations allowed us to determine the ﬂexibility and solvent accessible surface area (SASA) of Bacteriorhodopsin protein in the presence and/or absence of cosolvents, as well as to carry out principal component analysis (PCA) to identify the most important movements in this protein. In addition, by means of UV–Vis spectroscopy we studied the effect of oxidative stress generated by cold atmospheric plasma on the stability of Bacteriorhodopsin in the presence and/or absence of co-solvents. This study is important for a better understanding of the stability of proteins in the presence of oxidative stress.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000522094600066	Publication Date	2020-01-20
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0141-8130	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	8.2	Times cited		Open Access
Notes	Horizon2020, 743546 ; JSPS, 19H05462 16H03895 ; Nagoya University; We gratefully acknowledge the European Marie Skłodowska-Curie Individual Fellowship “Anticancer-PAM” within Horizon2020 (grant number 743546). This work was also supported by JSPS-KAKENHI 19H05462 and 16H03895, the joint usage/research program of Center for Low-temperature Plasma Science, Nagoya University and also supported by JSPS and RCL under the Japan-Lithuania Research Cooperative Program. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA.			Approved	Most recent IF: 8.2; 2020 IF: 3.671
Call Number	PLASMANT @ plasmant @c:irua:165585			Serial	5444
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