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Author Santos-Castro, G.; Pandey, T.; Bruno, C.H.V.; Santos Caetano, E.W.; Milošević, M.V.; Chaves, A.; Freire, V.N.
Title Silicon and germanium adamantane and diamantane monolayers as two-dimensional anisotropic direct-gap semiconductors Type A1 Journal article
Year 2023 Publication Physical review B Abbreviated Journal
Volume 108 Issue 3 Pages 035302-35310
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Structural and electronic properties of silicon and germanium monolayers with two different diamondoid crystal structures are detailed ab initio. Our results show that, despite Si and Ge being well-known indirect gap semiconductors in their bulk form, their adamantane and diamantane monolayers can exhibit optically active direct gap in the visible frequency range, with highly anisotropic effective masses, depending on the monolayer crystal structure. Moreover, we reveal that gaps in these materials are highly tunable with applied strain. These stable monolayer forms of Si and Ge are therefore expected to help bridging the gap between the fast growing area of opto-electronics in two-dimensional materials and the established silicon-based technologies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001074455300012 Publication Date 2023-07-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.7 Times cited Open Access
Notes Approved Most recent IF: 3.7; 2023 IF: 3.836
Call Number (up) UA @ admin @ c:irua:200348 Serial 9089
Permanent link to this record
 
 
Author Zhang, C.; Ren, K.; Wang, S.; Luo, Y.; Tang, W.; Sun, M.
Title Recent progress on two-dimensional van der Waals heterostructures for photocatalytic water splitting : a selective review Type A1 Journal article
Year 2023 Publication Journal of physics: D: applied physics Abbreviated Journal
Volume 56 Issue 48 Pages 483001-483024
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Hydrogen production through photocatalytic water splitting is being developed swiftly to address the ongoing energy crisis. Over the past decade, with the rise of graphene and other two-dimensional (2D) materials, an increasing number of computational and experimental studies have focused on relevant van der Waals (vdW) semiconductor heterostructures for photocatalytic water splitting. In this review, the fundamental mechanism and distinctive performance of type-II and Z-scheme vdW heterostructure photocatalysts are presented. Accordingly, we have conducted a systematic review of recent studies focusing on candidates for photocatalysts, specifically vdW heterostructures involving 2D transition metal disulfides (TMDs), 2D Janus TMDs, and phosphorenes. The photocatalytic performance of these heterostructures and their suitability in theoretical scenarios are discussed based on their electronic and optoelectronic properties, particularly in terms of band structures, photoexcited carrier dynamics, and light absorption. In addition, various approaches for tuning the performance of these potential photocatalysts are illustrated. This strategic framework for constructing and modulating 2D heterostructure photocatalysts is expected to provide inspiration for addressing possible challenges in future studies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001076327300001 Publication Date 2023-08-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727 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; 2023 IF: 2.588
Call Number (up) UA @ admin @ c:irua:200353 Serial 9081
Permanent link to this record
 
 
Author Lima, I.L.C.; Milošević, M.V.; Peeters, F.M.; Chaves, A.
Title Tuning of exciton type by environmental screening Type A1 Journal article
Year 2023 Publication Physical review B Abbreviated Journal
Volume 108 Issue 11 Pages 115303-115308
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We theoretically investigate the binding energy and electron-hole (e-h) overlap of excitonic states confined at the interface between two-dimensional materials with type-II band alignment, i.e., with lowest conduction and highest valence band edges placed in different materials, arranged in a side-by-side planar heterostructure. We propose a variational procedure within the effective mass approximation to calculate the exciton ground state and apply our model to a monolayer MoS2/WS2 heterostructure. The role of nonabrupt interfaces between the materials is accounted for in our model by assuming a WxMo1-xS2 alloy around the interfacial region. Our results demonstrate that (i) interface-bound excitons are energetically favorable only for small interface thickness and/or for systems under high dielectric screening by the materials surrounding the monolayer, and that (ii) the interface exciton binding energy and its e-h overlap are controllable by the interface width and dielectric environment.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001077758300002 Publication Date 2023-09-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.7 Times cited 1 Open Access
Notes Approved Most recent IF: 3.7; 2023 IF: 3.836
Call Number (up) UA @ admin @ c:irua:200356 Serial 9110
Permanent link to this record
 
 
Author Mazhar, R.; Azadi, H.; Van Passel, S.; Varnik, R.; Pietrzykowski, M.; Skominas, R.; Wei, Z.; Xuehao, B.
Title Does contract length matter? The impact of various contract-farming regimes on land-improvement investment and the efficiency of contract farmers in Pakistan Type A1 Journal article
Year 2023 Publication Agriculture (Basel) Abbreviated Journal
Volume 13 Issue 9 Pages 1651-16
Keywords A1 Journal article; Engineering Management (ENM)
Abstract Land-tenure security is integral to local communities' socioeconomic development. It has been a center of debate in academia and for legislators and advocates to implement reforms to enhance efficient and sustainable development in land management. Yet, knowledge gaps remain in how various contract-farming regimes contribute to land-improvement investment and technical efficiency. This study used a data set of 650 farm households collected through a two-stage stratified sampling to investigate the influence of three contract-farming regimes: long-term, medium-term, and short-term contracts, on the land-improvement investment, productivity, and technical efficiency of contract farmers in Punjab, Pakistan. The study used multivariate probit and ordinary least square regression models to examine the posit relationships. The findings highlight that farmers with long-term land contracts have higher per hectare yield, income and profit than those with medium-term and short-term contracts. The results confirm that farmers with medium- and long-term contracts tend to invest more in land-improvement measures, i.e., organic and green manure. Further, the study findings demonstrate that long-term land tenures are more effective when farmers make decisions regarding the on-farm infrastructure, like tube-well installation, tractor ownership, and holding farm logistics. Last, the study results confirm that long-term contracts are more robust regarding technical efficiency. Moreover, the findings support the Marshallian inefficiency hypothesis and extend the literature on contract farming, land-improvement investment, and land use policy, and offer coherent policy actions for stakeholders to improve farmers' productivity, technical efficiency, and income.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001071045300001 Publication Date 2023-08-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2077-0472 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number (up) UA @ admin @ c:irua:200373 Serial 9201
Permanent link to this record
 
 
Author Zhou, S.; Xu, W.; Xiao, Y.; Xiao, H.; Zhang, J.; Wang, Z.; He, G.; Liu, J.; Li, Y.; Peeters, F.M.
Title Influence of neutron irradiation on X-ray diffraction, Raman spectrum and photoluminescence from pyrolytic and hot-pressed hexagonal boron nitride Type A1 Journal article
Year 2023 Publication Journal of luminescence Abbreviated Journal
Volume 263 Issue Pages 120118-8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Hexagonal boron nitride (hBN) is considered as an ideal semiconductor material for solid-state neutron detector, owing to its large neutron scattering section because of the low atomic number of B and excellent physical properties. Here we study the influence of neutron irradiation on crystal structure and on intermediate energy state (IMES) levels induced by the presence of impurities and defects in hBN. Large-size and thick pyrolytic and hot-pressed hBN (PBN and HBN) samples, which can be directly applied for neutron detector devices, are prepared and bombarded by neutrons with different irradiation fluences. The SEM and TEM are used to observe the sample difference of PBN and HBN. X-ray diffraction and Raman spectroscopy are applied to examine the influence of neutron irradiation on lattice structures along different crystal directions of PBN and HBN samples. Photoluminescence (PL) is employed to study the effect of neutron irradiation on IMESs in these samples. We find that the neutron irradiation does not alter the in-plane lattice structures of both PBN and HBN samples, but it can release the inter-layer tensions induced by sample growth of the PBN samples. Interestingly and surprisingly, the neutron irradiation does not affect the IMES levels responsible for PL generation, where PL is attributed mainly from phonon-assisted radiative electron-hole coupling for both PBN and HBN samples. Furthermore, the results indicate that the neutron irradiation can weaken the effective carrier-phonon coupling and exciton transitions in PBN and HBN samples. Overall, both PBN and HBN samples show some degree of the resistance to neutron irradiation in terms of these basic physical properties. The interesting and important findings from this work can help us to gain an in-depth understanding of the influence of neutron irradiation on basic physical properties of hBN materials. These effects can be taken into account when designing and applying the hBN materials for neutron detectors.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001077086300001 Publication Date 2023-08-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-2313 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.6 Times cited 1 Open Access
Notes Approved Most recent IF: 3.6; 2023 IF: 2.686
Call Number (up) UA @ admin @ c:irua:200393 Serial 9047
Permanent link to this record
 
 
Author Salden, A.; Budde, M.; Garcia-Soto, C.A.; Biondo, O.; Barauna, J.; Faedda, M.; Musig, B.; Fromentin, C.; Nguyen-Quang, M.; Philpott, H.; Hasrack, G.; Aceto, D.; Cai, Y.; Jury, F.A.; Bogaerts, A.; Da Costa, P.; Engeln, R.; Galvez, M.E.; Gans, T.; Garcia, T.; Guerra, V.; Henriques, C.; Motak, M.; Navarro, M.V.; Parvulescu, V.I.; Van Rooij, G.; Samojeden, B.; Sobota, A.; Tosi, P.; Tu, X.; Guaitella, O.
Title Meta-analysis of CO₂ conversion, energy efficiency, and other performance data of plasma-catalysis reactors with the open access PIONEER database Type A1 Journal article
Year 2023 Publication Journal of energy chemistry Abbreviated Journal
Volume 86 Issue Pages 318-342
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract This paper brings the comparison of performances of CO2 conversion by plasma and plasma-assisted catalysis based on the data collected from literature in this field, organised in an open access online data-base. This tool is open to all users to carry out their own analyses, but also to contributors who wish to add their data to the database in order to improve the relevance of the comparisons made, and ultimately to improve the efficiency of CO2 conversion by plasma-catalysis. The creation of this database and data-base user interface is motivated by the fact that plasma-catalysis is a fast-growing field for all CO2 con-version processes, be it methanation, dry reforming of methane, methanolisation, or others. As a result of this rapid increase, there is a need for a set of standard procedures to rigorously compare performances of different systems. However, this is currently not possible because the fundamental mechanisms of plasma-catalysis are still too poorly understood to define these standard procedures. Fortunately how-ever, the accumulated data within the CO2 plasma-catalysis community has become large enough to war-rant so-called “big data” studies more familiar in the fields of medicine and the social sciences. To enable comparisons between multiple data sets and make future research more effective, this work proposes the first database on CO2 conversion performances by plasma-catalysis open to the whole community. This database has been initiated in the framework of a H2020 European project and is called the “PIONEER DataBase”. The database gathers a large amount of CO2 conversion performance data such as conversion rate, energy efficiency, and selectivity for numerous plasma sources coupled with or without a catalyst. Each data set is associated with metadata describing the gas mixture, the plasma source, the nature of the catalyst, and the form of coupling with the plasma. Beyond the database itself, a data extraction tool with direct visualisation features or advanced filtering functionalities has been developed and is available online to the public. The simple and fast visualisation of the state of the art puts new results into context, identifies literal gaps in data, and consequently points towards promising research routes. More advanced data extraction illustrates the impact that the database can have in the understanding of plasma-catalyst coupling. Lessons learned from the review of a large amount of literature during the setup of the database lead to best practice advice to increase comparability between future CO2 plasma-catalytic studies. Finally, the community is strongly encouraged to contribute to the database not only to increase the visibility of their data but also the relevance of the comparisons allowed by this tool. (c) 2023 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by ELSEVIER B.V. and Science Press. This is an open access article under the CC BY license (http://creati- vecommons.org/licenses/by/4.0/).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001083545900001 Publication Date 2023-08-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2095-4956 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.1 Times cited Open Access
Notes Approved Most recent IF: 13.1; 2023 IF: 2.594
Call Number (up) UA @ admin @ c:irua:200416 Serial 9056
Permanent link to this record
 
 
Author Radujković, D.; Vicca, S.; van Rooyen, M.; Wilfahrt, P.; Brown, L.; Jentsch, A.; Reinhart, K.O.; Brown, C.; De Gruyter, J.; Jurasinski, G.; Askarizadeh, D.; Bartha, S.; Beck, R.; Blenkinsopp, T.; Cahill, J.; Campetella, G.; Canullo, R.; Chelli, S.; Enrico, L.; Fraser, L.; Hao, X.; Henry, H.A.L.; Hohn, M.; Jouri, M.H.; Koch, M.; Lawrence Lodge, R.; Li, F.Y.; Lord, J.M.; Milligan, P.; Minggagud, H.; Palmer, T.; Schröder, B.; Szabó, G.; Zhang, T.; Zimmermann, Z.; Verbruggen, E.
Title Consistent predictors of microbial community composition across spatial scales in grasslands reveal low context‐dependency Type A1 Journal article
Year 2023 Publication Molecular ecology Abbreviated Journal
Volume 32 Issue 24 Pages 6924-6938
Keywords A1 Journal article; Plant and Ecosystems (PLECO) – Ecology in a time of change
Abstract Environmental circumstances shaping soil microbial communities have been studied extensively. However, due to disparate study designs, it has been difficult to resolve whether a globally consistent set of predictors exists, or context‐dependency prevails. Here, we used a network of 18 grassland sites (11 of those containing regional plant productivity gradients) to examine (i) if similar abiotic or biotic factors predict both large‐scale (across sites) and regional‐scale (within sites) patterns in bacterial and fungal community composition, and (ii) if microbial community composition differs consistently at two levels of regional plant productivity (low vs. high). Our results revealed that bacteria were associated with particular soil properties (such as base saturation) and both bacteria and fungi were associated with plant community composition across sites and within the majority of sites. Moreover, a discernible microbial community signal emerged, clearly distinguishing high and low‐productivity soils across different grasslands independent of their location in the world. Hence, regional productivity differences may be typified by characteristic soil microbial communities across the grassland biome. These results could encourage future research aiming to predict the general effects of global changes on soil microbial community composition in grasslands and to discriminate fertile from infertile systems using generally applicable microbial indicators.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001090315100001 Publication Date 2023-10-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0962-1083 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.9 Times cited Open Access
Notes Approved Most recent IF: 4.9; 2023 IF: 6.086
Call Number (up) UA @ admin @ c:irua:200464 Serial 9194
Permanent link to this record
 
 
Author Vingerhoets, R.; Brienza, C.; Sigurnjak, I.; Buysse, J.; Vlaeminck, S.E.; Spiller, M.; Meers, E.
Title Ammonia stripping and scrubbing followed by nitrification and denitrification saves costs for manure treatment based on a calibrated model approach Type A1 Journal article
Year 2023 Publication Chemical engineering journal Abbreviated Journal
Volume 477 Issue Pages 146984-14
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Resource-efficient nitrogen management is of high environmental and economic interest, and manure represents the major nutrient flow in livestock-intensive regions. Ammonia stripping/scrubbing (SS) is an appealing nitrogen recovery route from manure, yet its real-life implementation has been limited thus far. In nutrient surplus regions like Flanders, treatment of the liquid fraction (LF) of (co–)digested manure typically consists of nitrification/denitrification (NDN) removing most N as nitrogen gas. Integrating SS before NDN in existing plants would expand treatment capacity and recover N while maintaining low N effluent values, yet cost estimations of this novel approach after process optimisation are not yet available. A programming model was developed and calibrated to minimise the treatment costs of this approach and find the balance between N recovery versus N removal. Four crucial operational parameters (CO2 stripping time, NH3 stripping time, temperature and NaOH addition) were optimised for 18 scenarios which were different in terms of technical set-up, influent characteristics and scrubber acid. The model shows that SS before NDN can decrease the costs by 1 to 56% under optimal conditions compared to treatment with NDN only, with 1 to 8% reduction for the LF of manure (22–29% recovered of N treated), and 11 to 56% reduction for the LF of co-digested manure (42–67% recovered of N treated), primarily dependent on resource pricing. This study shows the power of modelling for minimum-cost design and operation of manure treatment yielding savings while producing useful N recovery products with SS followed by NDN.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001108935900001 Publication Date 2023-10-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record; WoS full record
Impact Factor 15.1 Times cited Open Access
Notes Approved Most recent IF: 15.1; 2023 IF: 6.216
Call Number (up) UA @ admin @ c:irua:200649 Serial 9003
Permanent link to this record
 
 
Author Calogiuri, T.; Hagens, M.; Van Groenigen, J.W.; Corbett, T.; Hartmann, J.; Hendriksen, R.; Janssens, I.; Janssens, I.A.; Ledesma Dominguez, G.; Loescher, G.; Mortier, S.; Neubeck, A.; Niron, H.; Poetra, R.P.; Rieder, L.; Struyf, E.; Van Tendeloo, M.; De Schepper, T.; Verdonck, T.; Vlaeminck, S.E.; Vicca, S.; Vidal, A.
Title Design and construction of an experimental setup to enhance mineral weathering through the activity of soil organisms Type A1 Journal article
Year 2023 Publication Journal of visualized experiments Abbreviated Journal
Volume Issue 201 Pages e65563-30
Keywords A1 Journal article; Engineering sciences. Technology; Internet Data Lab (IDLab); Applied mathematics; Sustainable Energy, Air and Water Technology (DuEL); Plant and Ecosystems (PLECO) – Ecology in a time of change
Abstract Enhanced weathering (EW) is an emerging carbon dioxide (CO2) removal technology that can contribute to climate change mitigation. This technology relies on accelerating the natural process of mineral weathering in soils by manipulating the abiotic variables that govern this process, in particular mineral grain size and exposure to acids dissolved in water. EW mainly aims at reducing atmospheric CO2 concentrations by enhancing inorganic carbon sequestration. Until now, knowledge of EW has been mainly gained through experiments that focused on the abiotic variables known for stimulating mineral weathering, thereby neglecting the potential influence of biotic components. While bacteria, fungi, and earthworms are known to increase mineral weathering rates, the use of soil organisms in the context of EW remains underexplored. This protocol describes the design and construction of an experimental setup developed to enhance mineral weathering rates through soil organisms while concurrently controlling abiotic conditions. The setup is designed to maximize weathering rates while maintaining soil organisms' activity. It consists of a large number of columns filled with rock powder and organic material, located in a climate chamber and with water applied via a downflow irrigation system. Columns are placed above a fridge containing jerrycans to collect the leachate. Representative results demonstrate that this setup is suitable to ensure the activity of soil organisms and quantify their effect on inorganic carbon sequestration. Challenges remain in minimizing leachate losses, ensuring homogeneous ventilation through the climate chamber, and avoiding flooding of the columns. With this setup, an innovative and promising approach is proposed to enhance mineral weathering rates through the activity of soil biota and disentangle the effect of biotic and abiotic factors as drivers of EW.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001127854400015 Publication Date 2023-11-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1940-087x ISBN Additional Links UA library record; WoS full record
Impact Factor 1.2 Times cited Open Access
Notes Approved Most recent IF: 1.2; 2023 IF: 1.232
Call Number (up) UA @ admin @ c:irua:200770 Serial 9019
Permanent link to this record
 
 
Author Xiao, H.; Zhang, Z.; Xu, W.; Wang, Q.; Xiao, Y.; Ding, L.; Huang, J.; Li, H.; He, B.; Peeters, F.M.
Title Terahertz optoelectronic properties of synthetic single crystal diamond Type A1 Journal article
Year 2023 Publication Diamond and related materials Abbreviated Journal
Volume 139 Issue Pages 110266-110268
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A systematic investigation is undertaken for studying the optoelectronic properties of single crystal diamond (SCD) grown by microwave plasma chemical vapor deposition (MPCVD). It is indicated that, without intentional doping and surface treatment during the sample growth, the terahertz (THz) optical conduction in SCD is mainly affected by surface H-terminations, -OH-, O- and N-based functional groups. By using THz time-domain spectroscopy (TDS), we measure the transmittance, the complex dielectric constant and optical conductivity σ(ω) of SCD. We find that SCD does not show typical semiconductor characteristics in THz regime, where σ(ω) cannot be described rightly by the conventional Drude formula. Via fitting the real and imaginary parts of σ(ω) to the Drude-Smith formula, the ratio of the average carrier density to the effective electron mass γ = ne/m*, the electronic relaxation time τ and the electronic backscattering or localization factor can be determined optically. The temperature dependence of these parameters is examined. From the temperature dependence of γ, a metallic to semiconductor transition is observed at about T = 10 K. The temperature dependence of τ is mainly induced by electron coupling with acoustic-phonons and there is a significant effect of photon-induced electron backscattering or localization in SCD. This work demonstrates that THz TDS is a powerful technique in studying SCD which contains H-, N- and O-based bonds and has low electron density and high dc resistivity. The results obtained from this study can benefit us to gain an in-depth understanding of SCD and may provide new guidance for the application of SCD as electronic, optical and optoelectronic materials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2023-08-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-9635 ISBN Additional Links UA library record
Impact Factor 4.1 Times cited Open Access
Notes Approved Most recent IF: 4.1; 2023 IF: 2.561
Call Number (up) UA @ admin @ c:irua:200920 Serial 9103
Permanent link to this record
 
 
Author Nakazato, R.; Matsumoto, K.; Yamaguchi, N.; Cavallo, M.; Crocella, V.; Bonino, F.; Quintelier, M.; Hadermann, J.; Rosero-Navarro, N.C.; Miura, A.; Tadanaga, K.
Title CO2 Electrochemical Reduction with Zn-Al Layered Double Hydroxide-Loaded Gas-Diffusion Electrode (Supporting Information) Type Dataset
Year 2023 Publication Abbreviated Journal
Volume Issue Pages
Keywords Dataset; Electron microscopy for materials research (EMAT)
Abstract Carbon dioxide electrochemical reduction (CO2ER) has attracted considerable attention as a technology to recycle CO2 into raw materials for chemicals using renewable energies. We recently found that Zn-Al layered double hydroxides (Zn-Al LDH) have the CO-forming CO2ER activity. However, the activity was only evaluated by using the liquid-phase CO2ER. In this study, Ni-Al and Ni-Fe LDHs as well as Zn-Al LDH were synthesized using a facile coprecipitation process and the gas-phase CO2ER with the LDH-loaded gas-diffusion electrode (GDE) was examined. The products were characterized by XRD, STEM-EDX, BF-TEM and ATR-IR spectroscopy. In the ATR-IR results, the interaction of CO2 with Zn-Al LDH showed a different carbonates evolution with respect to other LDHs, suggesting a different electrocatalytic activity. The LDH-loaded GDE was prepared by simple drop-casting of a catalyst ink onto carbon paper. For gas-phase CO2ER, only Zn-Al LDH exhibited the CO2ER activity for carbon monoxide (CO) formation. By using different potassium salt electrolytes affording neutral to strongly basic conditions, such as KCl, KHCO3 and KOH, the gas-phase CO2ER with Zn-Al LDH-loaded GDE showed 1.3 to 2.1 times higher partial current density for CO formation than the liquid-phase CO2ER.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001079191200001 Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number (up) UA @ admin @ c:irua:200933 Serial 9010
Permanent link to this record
 
 
Author Kumar, M.; Sengupta, A.; Kummamuru, N.B.
Title Molecular simulations for carbon dioxide capture in silica slit pores Type A3 Journal article
Year 2023 Publication Materials Today: Proceedings Abbreviated Journal
Volume Issue Pages 1-9
Keywords A3 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract In present work, we have performed the Grand Canonical Monte Carlo (GCMC) simulations to quantify CO2 capture inside porous silica at high operating temperatures of 673.15 K and 873.15 K; and over a operating pressure range of 500 kPa – 4000 kPa that are methane steam reforming process parameters. Related chemical potential values at these thermodynamic conditions are obtained from the bulk phase simulations in the Canonical ensemble in conjunction with Widom’s insertion technique, where the CO2 has been accurately represented by TraPPE force field. Present structure of the porous silica is a single slit pore geometry of various heights (H = 20 Å, 31.6 Å, 63.2 Å and 126.5 Å), dimensions in which possible vapour-liquid equilibria for generic square well fluids has been reported in literature. Estimation of the pore-fluid interactions show a higher interaction between silica pore and adsorbed CO2 compared to the reported pore-fluid interactions between homogeneous carbon slit pore and adsorbed CO2; thus resulting in an enhancement of adsorption inside silica pores of H = 20 Å and H = 126.5 Å, which are respectively 3.5 times and 1.5 times higher than that in homogeneous carbon slit pores of same dimensions and at 673.15 K and 500 kPa. Estimated local density plots indicate the presence of structured layers due to more molecular packing, which confirms possible liquid-like and vapour-like phase coexistence of the supercritical bulk phase CO2 under confinement.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2023-05-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2214-7853 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number (up) UA @ admin @ c:irua:200944 Serial 9058
Permanent link to this record
 
 
Author Watson, G.; Kummamuru, N.B.; Verbruggen, S.W.; Perreault, P.; Houlleberghs, M.; Martens, J.; Breynaert, E.; Van Der Voort, P.
Title Engineering of hollow periodic mesoporous organosilica nanorods for augmented hydrogen clathrate formation Type A1 Journal article
Year 2023 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal
Volume 11 Issue 47 Pages 26265-26276
Keywords A1 Journal article; Engineering sciences. Technology
Abstract Hydrogen (H2) storage, in the form of clathrate hydrates, has emerged as an attractive alternative to classical storage methods like compression or liquefaction. Nevertheless, the sluggish enclathration kinetics along with low gas storage capacities in bulk systems is currently impeding the progress of this technology. To this end, unstirred systems coupled with porous materials have been shown to tackle the aforementioned drawbacks. In line with this approach, the present study explores the use of hydrophobic periodic organosilica nanoparticles, later denoted as hollow ring-PMO (HRPMO), for H2 storage as clathrate hydrates under mild operating conditions (5.56 mol% THF, 7 MPa, and 265–273 K). The surface of the HRPMO nanoparticles was carefully decorated/functionalized with THF-like moieties, which are well-known promoter agents in clathrate formation when applied in classical, homogeneous systems. The study showed that, while the non-functionalized HRPMO can facilitate the formation of binary H2-THF clathrates, the incorporation of surface-bound promotor structures enhances this process. More intriguingly, tuning the concentration of these surface-bound promotor agents on the HRPMO led to a notable effect on solid-state H2 storage capacities. An increase of 3% in H2 storage capacity, equivalent to 0.26 wt%, along with a substantial increase of up to 28% in clathrate growth kinetics, was observed when an optimal loading of 0.14 mmol g−1 of promoter agent was integrated into the HRPMO framework. Overall, the findings from this study highlight that such tuning effects in the solid-state have the potential to significantly boost hydrate formation/growth kinetics and H2 storage capacities, thereby opening new avenues for the ongoing development of H2 clathrates in industrial applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001108752600001 Publication Date 2023-11-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7488; 2050-7496 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.9 Times cited Open Access
Notes Approved Most recent IF: 11.9; 2023 IF: 8.867
Call Number (up) UA @ admin @ c:irua:201007 Serial 9031
Permanent link to this record
 
 
Author Jenkinson, K.; Spadaro, M.C.; Golovanova, V.; Andreu, T.; Morante, J.R.; Arbiol, J.; Bals, S.
Title Direct operando visualization of metal support interactions induced by hydrogen spillover during CO₂ hydrogenation Type A1 Journal article
Year 2023 Publication Advanced materials Abbreviated Journal
Volume 35 Issue 51 Pages 2306447-10
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The understanding of catalyst active sites is a fundamental challenge for the future rational design of optimized and bespoke catalysts. For instance, the partial reduction of Ce4+ surface sites to Ce3+ and the formation of oxygen vacancies are critical for CO2 hydrogenation, CO oxidation, and the water gas shift reaction. Furthermore, metal nanoparticles, the reducible support, and metal support interactions are prone to evolve under reaction conditions; therefore a catalyst structure must be characterized under operando conditions to identify active states and deduce structure-activity relationships. In the present work, temperature-induced morphological and chemical changes in Ni nanoparticle-decorated mesoporous CeO2 by means of in situ quantitative multimode electron tomography and in situ heating electron energy loss spectroscopy, respectively, are investigated. Moreover, operando electron energy loss spectroscopy is employed using a windowed gas cell and reveals the role of Ni-induced hydrogen spillover on active Ce3+ site formation and enhancement of the overall catalytic performance.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001106139400001 Publication Date 2023-10-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0935-9648 ISBN Additional Links UA library record; WoS full record
Impact Factor 29.4 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 29.4; 2023 IF: 19.791
Call Number (up) UA @ admin @ c:irua:201143 Serial 9022
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Author Huang, S.; Griffin, E.; Cai, J.; Xin, B.; Tong, J.; Fu, Y.; Kravets, V.; Peeters, F.M.; Lozada-Hidalgo, M.
Title Gate-controlled suppression of light-driven proton transport through graphene electrodes Type A1 Journal article
Year 2023 Publication Nature communications Abbreviated Journal
Volume 14 Issue 1 Pages 6932-6937
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Recent experiments demonstrated that proton transport through graphene electrodes can be accelerated by over an order of magnitude with low intensity illumination. Here we show that this photo-effect can be suppressed for a tuneable fraction of the infra-red spectrum by applying a voltage bias. Using photocurrent measurements and Raman spectroscopy, we show that such fraction can be selected by tuning the Fermi energy of electrons in graphene with a bias, a phenomenon controlled by Pauli blocking of photo-excited electrons. These findings demonstrate a dependence between graphene's electronic and proton transport properties and provide fundamental insights into molecularly thin electrode-electrolyte interfaces and their interaction with light. Recent experiments have shown that proton transport through graphene electrodes can be promoted by light, but the understanding of this phenomenon remains unclear. Here, the authors report the electrical tunability of this photo-effect, showing a connection between graphene electronic and proton transport properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001094448600003 Publication Date 2023-10-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record
Impact Factor 16.6 Times cited Open Access
Notes Approved Most recent IF: 16.6; 2023 IF: 12.124
Call Number (up) UA @ admin @ c:irua:201185 Serial 9041
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Author Xiang, F.; Gupta, A.; Chaves, A.; Krix, Z.E.; Watanabe, K.; Taniguchi, T.; Fuhrer, M.S.; Peeters, F.M.; Neilson, D.; Milošević, M.V.; Hamilton, A.R.
Title Intra-zero-energy Landau level crossings in bilayer graphene at high electric fields Type A1 Journal article
Year 2023 Publication Nano letters Abbreviated Journal
Volume 23 Issue 21 Pages 9683-9689
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract The highly tunable band structure of the zero-energy Landau level (zLL) of bilayer graphene makes it an ideal platform for engineering novel quantum states. However, the zero-energy Landau level at high electric fields has remained largely unexplored. Here we present magnetotransport measurements of bilayer graphene in high transverse electric fields. We observe previously undetected Landau level crossings at filling factors nu = -2, 1, and 3 at high electric fields. These crossings provide constraints for theoretical models of the zero-energy Landau level and show that the orbital, valley, and spin character of the quantum Hall states at high electric fields is very different from low electric fields. At high E, new transitions between states at nu = -2 with different orbital and spin polarization can be controlled by the gate bias, while the transitions between nu = 0 -> 1 and nu = 2 -> 3 show anomalous behavior.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001102148900001 Publication Date 2023-10-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record
Impact Factor 10.8 Times cited 1 Open Access
Notes Approved Most recent IF: 10.8; 2023 IF: 12.712
Call Number (up) UA @ admin @ c:irua:201200 Serial 9052
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Author Mehmonov, K.; Ergasheva, A.; Yusupov, M.; Khalilov, U.
Title The role of carbon monoxide in the catalytic synthesis of endohedral carbyne Type A1 Journal article
Year 2023 Publication Journal of applied physics Abbreviated Journal
Volume 134 Issue 14 Pages 144303-144307
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The unique physical properties of carbyne, a novel carbon nanostructure, have attracted considerable interest in modern nanotechnology. While carbyne synthesis has been accomplished successfully using diverse techniques, the underlying mechanisms governing the carbon monoxide-dependent catalytic synthesis of endohedral carbyne remain poorly understood. In this simulation-based study, we investigate the synthesis of endohedral carbyne from carbon and carbon monoxide radicals in the presence of a nickel catalyst inside double-walled carbon nanotubes with a (5,5)@(10,10) structure. The outcome of our investigation demonstrates that the incorporation of the carbon atom within the Ni-n@(5,5)@(10,10) model system initiates the formation of an elongated carbon chain. In contrast, upon the introduction of carbon monoxide radicals, the growth of the carbyne chain is inhibited as a result of the oxidation of endohedral nickel clusters by oxygen atoms after the initial steps of nucleation. Our findings align with prior theoretical, simulation, and experimental investigations, reinforcing their consistency and providing valuable insights into the synthesis of carbyne-based nanodevices that hold promising potential for future advancements in nanotechnology.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001083993400003 Publication Date 2023-10-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.2 Times cited Open Access
Notes Approved Most recent IF: 3.2; 2023 IF: 2.068
Call Number (up) UA @ admin @ c:irua:201233 Serial 9106
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Author Duran, T.A.; Yayak, Y.O.; Aydin, H.; Peeters, F.M.; Yagmurcukardes, M.
Title A perspective on the state-of-the-art functionalized 2D materials Type A1 Journal article
Year 2023 Publication Journal of applied physics Abbreviated Journal
Volume 134 Issue 12 Pages 120901-120929
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Two-dimensional (2D) ultra-thin materials are more crucial than their bulk counterparts for the covalent functionalization of their surface owing to atomic thinness, large surface-to-volume ratio, and high reactivity of surface atoms having unoccupied orbitals. Since the surface of a 2D material is composed of atoms having unoccupied orbitals, covalent functionalization enables one to improve or precisely modify the properties of the ultra-thin materials. Chemical functionalization of 2D materials not only modifies their intrinsic properties but also makes them adapted for nanotechnology applications. Such engineered materials have been used in many different applications with their improved properties. In the present Perspective, we begin with a brief history of functionalization followed by the introduction of functionalized 2D materials. Our Perspective is composed of the following sections: the applications areas of 2D graphene and graphene oxide crystals, transition metal dichalcogenides, and in-plane anisotropic black phosphorus, all of which have been widely used in different nanotechnology applications. Finally, our Perspectives on the future directions of applications of functionalized 2D materials are given. The present Perspective sheds light on the current progress in nanotechnological applications of engineered 2D materials through surface functionalization.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001087770500008 Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.2 Times cited Open Access
Notes Approved Most recent IF: 3.2; 2023 IF: 2.068
Call Number (up) UA @ admin @ c:irua:201281 Serial 9000
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Author Voordeckers, D.; Lauriks, T.; Baetens, D.; Ysebaert, T.; Denys, S.; Billen, P.; Tytgat, T.; Van Acker, M.
Title Numerical study on the impact of traffic lane adjustments and low boundary walls on pedestrian exposure to NO2 in street canyons Type A1 Journal article
Year 2023 Publication Landscape and urban planning Abbreviated Journal
Volume 243 Issue Pages 104974-13
Keywords A1 Journal article; Economics; Law; Engineering sciences. Technology; Art; Sustainable Energy, Air and Water Technology (DuEL); Research Group for Urban Development; Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS); Research Group for Urban Development; Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS)
Abstract Mitigating the adverse effects of air pollution, especially on human health, is one of the greater contemporary challenges for cities. Street canyons have herein been identified as bottleneck areas in urbanized environments. Focusing on the necessity of fast-response interventions, strategies to control source-receptor pathways (e.g. implementing low boundary walls (LBWs)) are gaining interest. A potential strategy which is greatly overlooked is the adjustment (reduction or displacement) of traffic lanes in order to increase the distance between source (traffic) and recipient (pedestrians). Within our study, computation fluid dynamics (CFD) is used to simulate the impact of alternations to traffic lanes (whether or not combined with LBWs) on the pedestrian exposure to NO2 for a specific case-study (Belgie center dot lei, Antwerp) under two prevailing wind directions. The average differences in NO2 concentrations for the entire pedestrian area ranged between +1.0 % to-3.6 %. On specific locations, reduction up to-8.0 % were reached. In case of perpendicular winds, a lateral displacement of all traffic lanes towards the windward facade including LBWs was found most beneficial to reduce pedestrian exposure. LBWs also showed to be efficient in reducing potential adverse effects of lane displacement under less frequent wind directions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001134403700001 Publication Date 2023-12-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0169-2046 ISBN Additional Links UA library record; WoS full record
Impact Factor 9.1 Times cited Open Access
Notes Approved Most recent IF: 9.1; 2023 IF: 4.563
Call Number (up) UA @ admin @ c:irua:201400 Serial 9065
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Author Le Compte, M.; Cardenas De La Hoz, E.; Peeters, S.; Rodrigues Fortes, F.; Hermans, C.; Domen, A.; Smits, E.; Lardon, F.; Vandamme, T.; Lin, A.; Vanlanduit, S.; Roeyen, G.; van Laere, S.; Prenen, H.; Peeters, M.; Deben, C.
Title Single-organoid analysis reveals clinically relevant treatment-resistant and invasive subclones in pancreatic cancer Type A1 Journal article
Year 2023 Publication npj Precision Oncology Abbreviated Journal
Volume 7 Issue 1 Pages 128-14
Keywords A1 Journal article; Center for Oncological Research (CORE); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC)
Abstract Pancreatic ductal adenocarcinoma (PDAC) is one of the most lethal diseases, characterized by a treatment-resistant and invasive nature. In line with these inherent aggressive characteristics, only a subset of patients shows a clinical response to the standard of care therapies, thereby highlighting the need for a more personalized treatment approach. In this study, we comprehensively unraveled the intra-patient response heterogeneity and intrinsic aggressive nature of PDAC on bulk and single-organoid resolution. We leveraged a fully characterized PDAC organoid panel ( N  = 8) and matched our artificial intelligence-driven, live-cell organoid image analysis with retrospective clinical patient response. In line with the clinical outcomes, we identified patient-specific sensitivities to the standard of care therapies (gemcitabine-paclitaxel and FOLFIRINOX) using a growth rate-based and normalized drug response metric. Moreover, the single-organoid analysis was able to detect resistant as well as invasive PDAC organoid clones, which was orchestrates on a patient, therapy, drug, concentration and time-specific level. Furthermore, our in vitro organoid analysis indicated a correlation with the matched patient progression-free survival (PFS) compared to the current, conventional drug response readouts. This work not only provides valuable insights on the response complexity in PDAC, but it also highlights the potential applications (extendable to other tumor types) and clinical translatability of our approach in drug discovery and the emerging era of personalized medicine.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001118015800001 Publication Date 2023-12-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2397-768x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number (up) UA @ admin @ c:irua:201455 Serial 9091
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Author Fabri, C.; Tsagris, M.; Moretti, M.; Van Passel, S.
Title Adaptation to climate change : the irrigation technology mix of Italian farmers Type A1 Journal article
Year 2023 Publication Applied economic perspectives and policy Abbreviated Journal
Volume Issue Pages 1-22
Keywords A1 Journal article; Economics; Engineering Management (ENM)
Abstract Farmers should increasingly adopt more water‐efficient irrigation technologies—such as drip irrigation—as a result of climate warming and aggravating water scarcity. We analyze how Italian farmers adapt to climate change by changing their irrigation technology mix. We apply a two‐stage econometric model to data from 5876 Italian farms. We find that farmers' initial reaction to increasing temperatures is reducing their surface‐irrigated fractions. When temperatures increase further, farmers switch toward more sprinkler irrigation. Our results show that farmers are not autonomously moving to drip irrigation in response to climate change, suggesting that government incentives are needed to encourage this transition.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001125360800001 Publication Date 2023-12-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-5790 ISBN Additional Links UA library record; WoS full record
Impact Factor 5.8 Times cited Open Access
Notes Approved Most recent IF: 5.8; 2023 IF: 1.361
Call Number (up) UA @ admin @ c:irua:201688 Serial 9184
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Author Daems, E.; Bassini, S.; Mariën, L.; Op de Beeck, H.; Stratulat, A.; Zwaenepoel, K.; Vandamme, T.; op de Beeck, K.; Koljenovic, S.; Peeters, M.; Van Camp, G.; De Wael, K.
Title Singlet oxygen-based photoelectrochemical detection of single-point mutations in the KRAS oncogene Type University Hospital Antwerp
Year 2023 Publication Biosensors and bioelectronics Abbreviated Journal
Volume 249 Issue Pages 115957-7
Keywords University Hospital Antwerp; A1 Journal article; Center for Oncological Research (CORE); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab); Medical Genetics (MEDGEN)
Abstract Single nucleotide point mutations in the KRAS oncogene occur frequently in human cancers, rendering them intriguing targets for diagnosis, early detection and personalized treatment. Current detection methods are based on polymerase chain reaction, sometimes combined with next-generation sequencing, which can be expensive, complex and have limited availability. Here, we propose a novel singlet oxygen (1O2)-based photoelectrochemical detection methodology for single-point mutations, using KRAS mutations as a case study. This detection method combines the use of a sandwich assay, magnetic beads and robust chemical photosensitizers, that need only air and light to produce 1O2, to ensure high specificity and sensitivity. We demonstrate that hybridization of the sandwich hybrid at high temperatures enables discrimination between mutated and wild-type sequences with a detection rate of up to 93.9%. Additionally, the presence of background DNA sequences derived from human cell-line DNA, not containing the mutation of interest, did not result in a signal, highlighting the specificity of the methodology. A limit of detection as low as 112 pM (1.25 ng/mL) was achieved without employing any amplification techniques. The developed 1O2-based photoelectrochemical methodology exhibits unique features, including rapidity, ease of use, and affordability, highlighting its immense potential in the field of nucleic acid-based diagnostics.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001155075300001 Publication Date 2023-12-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0956-5663 ISBN Additional Links UA library record; WoS full record
Impact Factor 12.6 Times cited Open Access
Notes Approved Most recent IF: 12.6; 2023 IF: 7.78
Call Number (up) UA @ admin @ c:irua:201875 Serial 9092
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Author Steijlen, A.S.M.; Parrilla, M.; Van Echelpoel, R.; De Wael, K.
Title Dual microfluidic sensor system for enriched electrochemical profiling and identification of illicit drugs on-site Type A1 Journal article
Year 2024 Publication Analytical chemistry Abbreviated Journal
Volume 96 Issue 1 Pages 590-598
Keywords A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract Electrochemical sensors have emerged as a new analytical tool for illicit drug detection to facilitate ultrafast and accurate identification of suspicious compounds on-site. Drugs of abuse can be identified using their unique voltammetric fingerprint at a given pH. Today, the right buffer solution is manually selected based on drug appearance, and in some cases, a consecutive analysis in two different pH solutions is required. In this work, we present a disposable microfluidic multichannel sensor system that automatically records fingerprints in two pH solutions (e.g., pH 5 and pH 12). This system has two advantages. It will overcome the manual selection of a buffer solution at the right pH, decrease analysis time, and minimize the risk of human errors. Second, the combination of two fingerprints, the superfingerprint, contains more detailed information about the samples, which enhances the selectivity of the analytical technique. First, real-time pH measurements proved that the sample can be brought to the desired pH within a minute. Subsequently, an electrochemical study on the microfluidic platform with 1 mM illicit drug standards of MDMA, cocaine, heroin, and methamphetamine showed that the characteristic voltammetric fingerprints and peak potentials are reproducible, also in the presence of common cutting agents. Finally, the microfluidic concept was validated with real confiscated samples, showing promising results for the user-friendly identification of drugs of abuse. In short, this paper presents a successful proof-of-concept study of a multichannel microfluidic sensor system to enrich the fingerprints of illicit drugs at pH 5 and pH 12, thus providing a low-cost, portable, and rapid identification system of illicit drugs with minimal user intervention.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001139443500001 Publication Date 2023-12-28
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 Not_Open_Access
Notes Approved Most recent IF: 7.4; 2024 IF: 6.32
Call Number (up) UA @ admin @ c:irua:201877 Serial 9024
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Author Zhang, L.; Quinn, B.K.; Hui, C.; Lian, M.; Gielis, J.; Gao, J.; Shi, P.
Title New indices to balance α-diversity against tree size inequality Type A1 Journal article
Year 2024 Publication Journal of forestry research Abbreviated Journal
Volume 35 Issue 1 Pages 31-39
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The number and composition of species in a community can be quantified with alpha-diversity indices, including species richness (R), Simpson's index (D), and the Shannon-Wiener index (HGREEK TONOS). In forest communities, there are large variations in tree size among species and individuals of the same species, which result in differences in ecological processes and ecosystem functions. However, tree size inequality (TSI) has been largely neglected in studies using the available diversity indices. The TSI in the diameter at breast height (DBH) data for each of 999 20 m x 20 m forest census quadrats was quantified using the Gini index (GI), a measure of the inequality of size distribution. The generalized performance equation was used to describe the rotated and right-shifted Lorenz curve of the cumulative proportion of DBH and the cumulative proportion of number of trees per quadrat. We also examined the relationships of alpha-diversity indices with the GI using correlation tests. The generalized performance equation effectively described the rotated and right-shifted Lorenz curve of DBH distributions, with most root-mean-square errors (990 out of 999 quadrats) being < 0.0030. There were significant positive correlations between each of three alpha-diversity indices (i.e., R, D, and H') and the GI. Nevertheless, the total abundance of trees in each quadrat did not significantly influence the GI. This means that the TSI increased with increasing species diversity. Thus, two new indices are proposed that can balance alpha-diversity against the extent of TSI in the community: (1 – GI) x D, and (1 – GI) x H'. These new indices were significantly correlated with the original D and HGREEK TONOS, and did not increase the extent of variation within each group of indices. This study presents a useful tool for quantifying both species diversity and the variation in tree sizes in forest communities, especially in the face of cumulative species loss under global climate change.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001131698000001 Publication Date 2023-12-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1007-662x; 1993-0607 ISBN Additional Links UA library record; WoS full record
Impact Factor 3 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 3; 2024 IF: 0.774
Call Number (up) UA @ admin @ c:irua:201972 Serial 9061
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Author Zamani, M.; Yapicioglu, H.; Kara, A.; Sevik, C.
Title Statistical analysis of porcelain tiles' technical properties : full factorial design investigation on oxide ratios and temperature Type A1 Journal article
Year 2023 Publication Physica scripta Abbreviated Journal
Volume 98 Issue 12 Pages 125953-18
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract This study focuses on optimizing the composition and firing temperature of porcelain tiles using statistical analysis techniques. A full factorial design, including model adequacy checking, analysis of variance, Pareto charts, interaction plots, regression model, and response optimizer is employed. The key factors were the Seger ratios of SiO2/Al2O3, Na2O/K2O, MgO/CaO, and firing temperature. The response variables investigated were bulk density, water absorption, linear shrinkage, coefficient of thermal expansion (at 500 degrees C), and strength. The statistical analysis revealed highly significant results, which were further validated, confirming their reliability for practical use in the production of porcelain tiles. The study demonstrated the effectiveness of utilizing Seger formulas and properties of typical raw materials to accurately predict the final properties of ceramic tiles. By employing SiO2/Al2O3 = 5.2, Na2O/K2O = 1.50, MgO/CaO = 3.0, and firing temperature of 1180 degrees C, optimized properties, such as maximum strength, maximum bulk density, and minimum water absorption, was achieved with a composite desirability of 0.9821.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001105879800001 Publication Date 2023-11-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-8949; 1402-4896 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.9 Times cited Open Access
Notes Approved Most recent IF: 2.9; 2023 IF: 1.28
Call Number (up) UA @ admin @ c:irua:202033 Serial 9097
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Author Deconinck, E.; Polet, M.A.; Canfyn, M.; Duchateau, C.; De Braekeleer, K.; Van Echelpoel, R.; De Wael, K.; Gremeaux, L.; Degreef, M.; Balcaen, M.
Title Evaluation of an electrochemical sensor and comparison with spectroscopic approaches as used today in practice for harm reduction in a festival setting: a case study : analysis of 3,4-methylenedioxymethamphetamine samples Type A1 Journal article
Year 2023 Publication Drug testing and analysis Abbreviated Journal
Volume Issue Pages 1-13
Keywords A1 Journal article; Pharmacology. Therapy; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract More and more countries and organisations emphasise the value of harm reduction measures in the context of illicit drug use and abuse. One of these measures is drug checking, a preventive action that can represent a quick win by tailored consultation on the risks of substance use upon analytical screening of a submitted sample. Unlike drop-in centres that operate within a fixed setting, enabling drug checking in a harm reduction context at events requires portable, easy to use analytical approaches, operated by personnel with limited knowledge of analytical chemistry. In this case study, four different approaches were compared for the characterisation of 3,4-methylenedioxymethamphetamine samples and this in the way the approaches would be applied today in an event context. The four approaches are mid-infrared (MIR), near-infrared, and Raman spectroscopy, which are today used in drug checking context in Belgium, as well as an electrochemical sensor approach initially developed in the context of law enforcement at ports. The MIR and the electrochemical approach came out best, with the latter allowing for a direct straightforward analysis of the percentage 3,4-methylenedioxymethamphetamine (as base equivalent) in the samples. However, MIR has the advantage that, in a broader drug checking context, it allows to screen for several molecules and so is able to identify unexpected active components or at least the group to which such components belong. The latter is also an important advantage in the context of the growing emergence of new psychotropic substances. MIR, NIR, Raman spectroscopy, and an electrochemical sensor (Narcoreader (R)) for MDMA analysis were compared in a realistic harm reduction context. NIR and Raman failed in simple library approaches. MIR and Narcoreader (R) were preferred. MIR came out as first choice. MIR and Narcoreader (R) have complementary (dis)advantages and could be used in a two-step approach: MIR for screening and Narcoreader (R) for dosage/risk evaluation of MDMA samples.image
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001122493700001 Publication Date 2023-12-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1942-7603; 1942-7611 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.9 Times cited Open Access
Notes Approved Most recent IF: 2.9; 2023 IF: 3.469
Call Number (up) UA @ admin @ c:irua:202047 Serial 9032
Permanent link to this record
 
 
Author Truta, F.M.; Cruz, A.G.; Dragan, A.-M.; Tertis, M.; Cowen, T.; Stefan, M.-G.; Topala, T.; Slosse, A.; Piletska, E.; Van Durme, F.; Kiss, B.; De Wael, K.; Piletsky, S.A.; Cristea, C.
Title Design of smart nanoparticles for the electrochemical detection of 3,4-methylenedioxymethamphetamine to allow in field screening by law enforcement officers Type A1 Journal article
Year 2023 Publication Drug testing and analysis Abbreviated Journal
Volume Issue Pages 1-14
Keywords A1 Journal article; Pharmacology. Therapy; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract A portable and highly sensitive sensor was designed for the specific detection of 3,4-methyl-enedioxy-methamphetamine (MDMA), in a range of field-testing situations. The sensor can detect MDMA in street samples, even when other controlled substances drugs, or adulterants are present. In this work, we report for the first time a sensor using electroactive molecularly imprinted polymer nanoparticles computationally designed to recognize MDMA and then produced using solid phase synthesis. A composite comprising chitosan, reduced graphene oxide, and molecularly imprinted polymer nanoparticles synthesized for MDMA for the first time was immobilized on screen-printed carbon electrodes. The sensors displayed a satisfactory sensitivity (106.8 nA x mu M-1), limit of detection (1.6 nM; 0.31 ng/mL), and recoveries (92-99%). The accuracy of the results was confirmed through validation using Ultra-High Performance Liquid Chromatography coupled with tandem Mass Spectrometry (UPLC-MS/MS). This technology could be used in forensic analysis and make it possible to selectively detect MDMA in street samples. A highly sensitive and portable sensor has been developed to detect MDMA in street samples. It uses electroactive molecularly imprinted polymer nanoparticles computationally designed to recognize MDMA, which were immobilized on screen-printed carbon electrodes with chitosan and graphene. The sensor showed good sensitivity and satisfactory recoveries (92-99%), confirmed with UPLC-MS/MS validation. This technology has the potential to be used in forensic analysis.image
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001107703400001 Publication Date 2023-11-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1942-7603; 1942-7611 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.9 Times cited Open Access
Notes Approved Most recent IF: 2.9; 2023 IF: 3.469
Call Number (up) UA @ admin @ c:irua:202058 Serial 9020
Permanent link to this record
 
 
Author Rabani, I.; Tahir, M.S.; Nisar, S.; Parrilla, M.; Truong, H.B.; Kim, M.; Seo, Y.-S.
Title Fabrication of larger surface area of ZIF8@ZIF67 reverse core-shell nanostructures for energy storage applications Type A1 Journal article
Year 2024 Publication Electrochimica acta Abbreviated Journal
Volume 475 Issue Pages 143532-11
Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract The construction of uniform nanostructure with larger surface area electrodes is a huge challenge for the highvalue added energy storage application. Herein, we demonstrates ZIF67@ZIF8 (core-shell) and ZIF8@ZIF67 (reverse core-shell) nanostructures using a low-cost wet chemical route and used them as supercapacitors. Pristine ZIF-67 and ZIF-8 was used as reference electrodes. Benefiting from the synergistic effect between the ZIF8 and ZIF67, the ZIF8@ZIF67 exhibited the outstanding electrochemical consequences owing to its larger surface area with uniform hexagonal morphology. As optimized ZIF8@ZIF67 nanostructure displayed the highcapacity of 1521 F/g at 1 A/g of current density in a three-electrode assembly in 1 M KOH electrolyte compared with other as-fabricated electrodes. In addition, the ZIF8@ZIF67 nanostructure employed into the symmetric supercapacitors (SSCs) with 1 M KOH electrolyte in two-electrode setup and it exhibited still superior output including capacity (249.8 F/g at 1 A/g), remarkable repeatability (87 % over 10,000 GCD cycles) along with high energy and power density (61.2 Wh/kg & 1260 W/kg). The present study uncovers the relationship between the larger surface area and electrocatalyst performance, supporting an effective approach to prepare favorable materials for enhanced capacity, extended lifespan, and energy density.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001134022100001 Publication Date 2023-12-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0013-4686 ISBN Additional Links UA library record; WoS full record
Impact Factor 6.6 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 6.6; 2024 IF: 4.798
Call Number (up) UA @ admin @ c:irua:202082 Serial 9036
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Author Ulu Okudur, F.; Batuk, M.; Hadermann, J.; Safari, M.; De Sloovere, D.; Kumar Mylavarapu, S.; Joos, B.; D'Haen, J.; Van Bael, M.K.; Hardy, A.
Title Solution-gel-based surface modification of LiNi0.5Mn1.5O4-δ with amorphous Li-Ti-O coating Type A1 Journal article
Year 2023 Publication RSC advances Abbreviated Journal
Volume 13 Issue 47 Pages 33146-33158
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract LNMO (LiNi0.5Mn1.5O4-delta) is a high-energy density positive electrode material for lithium ion batteries. Unfortunately, it suffers from capacity loss and impedance rise during cycling due to electrolyte oxidation and electrode/electrolyte interface instabilities at high operating voltages. Here, a solution-gel synthesis route was used to coat 0.5-2.5 mu m LNMO particles with amorphous Li-Ti-O (LTO) for improved Li conduction, surface structural stability and cyclability. High-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) analysis coupled with energy dispersive X-ray (EDX) showed Ti-rich amorphous coatings/islands or Ti-rich spinel layers on many of the LTO-modified LNMO facets, with a thickness varying from about 1 to 10 nm. The surface modification in the form of amorphous islands was mostly possible on high-energy crystal facets. Physicochemical observations were used to propose a molecular mechanism for the surface modification, combining insights from metalorganic chemistry with the crystallographic properties of LNMO. The improvements in functional properties were investigated in half cells. The cell impedance increased faster for the bare LNMO compared to amorphous LTO modified LNMO, resulting in R-ct values as high as 1247 Omega (after 1000 cycles) for bare LNMO, against 216 Omega for the modified material. At 10C, the modified material boosted a 15% increase in average discharge capacity. The improvements in electrochemical performance were attributed to the increase in electrochemically active surface area, as well as to improved HF-scavenging, resulting in the formation of protective byproducts, generating a more stable interface during prolonged cycling.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001102666700001 Publication Date 2023-11-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2046-2069 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.9 Times cited Open Access
Notes Approved Most recent IF: 3.9; 2023 IF: 3.108
Call Number (up) UA @ admin @ c:irua:202091 Serial 9096
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Author Bathula, G.; Rana, S.; Bandalla, S.; Dosarapu, V.; Mavurapu, S.; Rajeevan, V.V.A.; Sharma, B.; Jonnalagadda, S.B.; Baithy, M.; Vasam, C.S.
Title The role of WOx and dopants (ZrO₂ and SiO₂) on CeO₂-based nanostructure catalysts in the selective oxidation of benzyl alcohol to benzaldehyde under ambient conditions Type A1 Journal article
Year 2023 Publication RSC advances Abbreviated Journal
Volume 13 Issue 51 Pages 36242-36253
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Herein, the efficacy of WOx-promoted CeO2-SiO2 and CeO2-ZrO2 mixed oxide catalysts in the solvent-free selective oxidation of benzyl alcohol to benzaldehyde using molecular oxygen as an oxidant is reported. We evaluated the effects of the oxidant and catalyst concentration, reaction duration, and temperature on the reaction with an aim to optimize the reaction conditions. The as-prepared CeO2, CeO2-ZrO2, CeO2-SiO2, WOx/CeO2, WOx/CeO2-ZrO2, and WOx/CeO2-SiO2 catalysts were characterized by X-ray diffraction (XRD), N-2 adsorption-desorption, Raman spectroscopy, temperature-programmed desorption of ammonia (TPD-NH3), X-ray photoelectron spectroscopy (XPS), and transmission electron microscopy (TEM). These characterisation results indicated that the WOx/CeO2-SiO2 catalyst possessed improved physicochemical (i.e., structural, textural, and acidic) properties owing to the strong interactivity between WOx and CeO2-SiO2. A higher number of Ce3+ ions (I-u '''/I-Total) were created with the WOx/CeO2-SiO2 catalyst than those with the other catalysts in this work, indicating the generation of a high number of oxygen vacancies. The WOx/CeO2-SiO2 catalyst exhibited a high conversion of benzyl alcohol (>99%) and a high selectivity (100%) toward benzaldehyde compared to the other promoted catalysts (i.e., WOx/CeO2 and WOx/CeO2-ZrO2), which is attributed to the smaller particle size of the WOx and CeO2 and their high specific surface area, more significant number of acidic sites, and superior number of oxygen vacancies. The WOx/CeO2-SiO2 catalyst could be quickly recovered and utilized at least five times without suffering any appreciable activity loss.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001123102800001 Publication Date 2023-12-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2046-2069 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.9 Times cited Open Access
Notes Approved Most recent IF: 3.9; 2023 IF: 3.108
Call Number (up) UA @ admin @ c:irua:202115 Serial 9107
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