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| Author | Metze, D.; Schnecker, J.; Le Noir de Carlan, C.; Bhattarai, B.; Verbruggen, E.; Ostonen, I.; Janssens, I.A.; Sigurdsson, B.D.; Hausmann, B.; Kaiser, C.; Richter, A. | ||||
| Title | Soil warming increases the number of growing bacterial taxa but not their growth rates | Type | A1 Journal article | ||
Year  |
2024 | Publication | Science Advances | Abbreviated Journal | |
| Volume | 10 | Issue | 8 | Pages | eadk6295-14 |
| Keywords | A1 Journal article; Plant and Ecosystems (PLECO) – Ecology in a time of change | ||||
| Abstract | Soil microorganisms control the fate of soil organic carbon. Warming may accelerate their activities putting large carbon stocks at risk of decomposition. Existing knowledge about microbial responses to warming is based on community-level measurements, leaving the underlying mechanisms unexplored and hindering predictions. In a long-term soil warming experiment in a Subarctic grassland, we investigated how active populations of bacteria and archaea responded to elevated soil temperatures (+6°C) and the influence of plant roots, by measuring taxon-specific growth rates using quantitative stable isotope probing and 18 O water vapor equilibration. Contrary to prior assumptions, increased community growth was associated with a greater number of active bacterial taxa rather than generally faster-growing populations. We also found that root presence enhanced bacterial growth at ambient temperatures but not at elevated temperatures, indicating a shift in plant-microbe interactions. Our results, thus, reveal a mechanism of how soil bacteria respond to warming that cannot be inferred from community-level measurements. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2024-02-23 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2375-2548 | ISBN | Additional Links | UA library record | |
| Impact Factor | 13.6 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 13.6; 2024 IF: NA | |||
| Call Number | UA @ admin @ c:irua:204459 | Serial | 9230 | ||
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| Author | Kummamuru, N.B.; Ciocarlan, R.-G.; Houlleberghs, M.; Martens, J.; Breynaert, E.; Verbruggen, S.W.; Cool, P.; Perreault, P. | ||||
| Title | Surface modification of mesostructured cellular foam to enhance hydrogen storage in binary THF/H₂ clathrate hydrate | Type | A1 Journal article | ||
| Year |
2024 | Publication | Sustainable energy & fuels | Abbreviated Journal | |
| Volume | Issue | Pages | 1-15 | ||
| Keywords | A1 Journal article; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA) | ||||
| Abstract | This study introduces solid-state tuning of a mesostructured cellular foam (MCF) to enhance hydrogen (H-2) storage in clathrate hydrates. Grafting of promoter-like molecules (e.g., tetrahydrofuran) at the internal surface of the MCF resulted in a substantial improvement in the kinetics of formation of binary H-2-THF clathrate hydrate. Identification of the confined hydrate as sII clathrate hydrate and enclathration of H-2 in its small cages was performed using XRD and high-pressure H-1 NMR spectroscopy respectively. Experimental findings show that modified MCF materials exhibit a similar to 1.3 times higher H-2 storage capacity as compared to non-modified MCF under the same conditions (7 MPa, 265 K, 100% pore volume saturation with a 5.56 mol% THF solution). The enhancement in H-2 storage is attributed to the hydrophobicity originating from grafting organic molecules onto pristine MCF, thereby influencing water interactions and fostering an environment conducive to H-2 enclathration. Gas uptake curves indicate an optimal tuning point for higher H-2 storage, favoring a lower density of carbon per nm(2). Furthermore, a direct correlation emerges between higher driving forces and increased H-2 storage capacity, culminating at 0.52 wt% (46.77 mmoles of H-2 per mole of H2O and 39.78% water-to-hydrate conversions) at 262 K for the modified MCF material with fewer carbons per nm(2). Notably, the substantial H-2 storage capacity achieved without energy-intensive processes underscores solid-state tuning's potential for H-2 storage in the synthesized hydrates. This study evaluated two distinct kinetic models to describe hydrate growth in MCF. The multistage kinetic model showed better predictive capabilities for experimental data and maintained a low average absolute deviation. This research provides valuable insights into augmenting H-2 storage capabilities and holds promising implications for future advancements. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001208396000001 | Publication Date | 2024-04-15 | |
| 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 | UA @ admin @ c:irua:205764 | Serial | 9232 | ||
| Permanent link to this record | |||||
| Author | Tschulkow, M.; Pizzol, M.; Compernolle, T.; Van den Bosch, S.; Sels, B.; Van Passel, S. | ||||
| Title | The environmental impacts of the lignin-first biorefineries : a consequential life cycle assessment approach | Type | A1 Journal article | ||
| Year |
2024 | Publication | Resources, conservation and recycling | Abbreviated Journal | |
| Volume | 204 | Issue | Pages | 107466-107469 | |
| Keywords | A1 Journal article; Engineering Management (ENM) | ||||
| Abstract | The emerging reductive catalytic fractionation biorefinery which is currently under development aims to convert woody biomass efficiently into high-value products. Despite its potential, the environmental consequences of its implementation are not well known. Therefore, a forward-looking consequential life cycle assessment examines greenhouse gas emissions associated with its products (pulp, phenolic monomers, and oligomers) compared to alternative market options. Findings indicate that current greenhouse gas emissions exceed those of the existing alternatives, with by-products and the gaseous waste stream as major contributors. Process adaption to (i) produce higher-valued products (bleached pulps, phenols, and propylene) and (ii) incinerate gaseous waste stream for energy are proposed, potentially reducing emissions by up to 50 %, outperforming alternative options. Compared to land-based transportation, waterways can increase feedstock availability by up to 1000 km without an increase in emissions. In conclusion, the consequential approach provides valuable insights for enhancing and optimizing the environmental performance of the process. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001186282000001 | Publication Date | 2024-02-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0921-3449 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 13.2 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 13.2; 2024 IF: 3.313 | |||
| Call Number | UA @ admin @ c:irua:205493 | Serial | 9234 | ||
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| Author | Gios, E.; Verbruggen, E.; Audet, J.; Burns, R.; Butterbach-Bahl, K.; Espenberg, M.; Fritz, C.; Glatzel, S.; Jurasinski, G.; Larmola, T.; Mander, U.; Nielsen, C.; Rodriguez, A.F.; Scheer, C.; Zak, D.; Silvennoinen, H.M. | ||||
| Title | Unraveling microbial processes involved in carbon and nitrogen cycling and greenhouse gas emissions in rewetted peatlands by molecular biology | Type | A1 Journal article | ||
| Year |
2024 | Publication | Biogeochemistry | Abbreviated Journal | |
| Volume | Issue | Pages | |||
| Keywords | A1 Journal article; Plant and Ecosystems (PLECO) – Ecology in a time of change | ||||
| Abstract | Restoration of drained peatlands through rewetting has recently emerged as a prevailing strategy to mitigate excessive greenhouse gas emissions and re-establish the vital carbon sequestration capacity of peatlands. Rewetting can help to restore vegetation communities and biodiversity, while still allowing for extensive agricultural management such as paludiculture. Belowground processes governing carbon fluxes and greenhouse gas dynamics are mediated by a complex network of microbial communities and processes. Our understanding of this complexity and its multi-factorial controls in rewetted peatlands is limited. Here, we summarize the research regarding the role of soil microbial communities and functions in driving carbon and nutrient cycling in rewetted peatlands including the use of molecular biology techniques in understanding biogeochemical processes linked to greenhouse gas fluxes. We emphasize that rapidly advancing molecular biology approaches, such as high-throughput sequencing, are powerful tools helping to elucidate the dynamics of key biogeochemical processes when combined with isotope tracing and greenhouse gas measuring techniques. Insights gained from the gathered studies can help inform efficient monitoring practices for rewetted peatlands and the development of climate-smart restoration and management strategies. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001185747700001 | Publication Date | 2024-03-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0168-2563; 1573-515x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 4; 2024 IF: 3.428 | |||
| Call Number | UA @ admin @ c:irua:204875 | Serial | 9239 | ||
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| Author | Borms, L.; Multani, M.; Bachus, K.; Dams, Y.; Brusselaers, J.; Van Passel, S. | ||||
| Title | Using natural language processing to monitor circular activities and employment | Type | A1 Journal article | ||
| Year |
2024 | Publication | Sustainable Production and Consumption | Abbreviated Journal | |
| Volume | 46 | Issue | Pages | 42-53 | |
| Keywords | A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM); Herman Deleeck Centre for Social Policy | ||||
| Abstract | In Europe, NACE codes are used for the official classification of sectors, however, the circular economy is not sufficiently captured in this classification. Therefore, this paper improves previous attempts for defining circular activities and jobs by web scraping techniques applied to each company in Belgium. We analyze their first, second, and third official NACE codes and compare these to the NACE codes they should have been allocated to according to the web scraping data. Subsequently, we calculate circularity scores for every sector to construct an indicator for the number of circular companies and jobs. The results show that the number of circular companies is lower than the baseline from official statistics when we only consider the companies' first and main NACE code. The estimates are higher than the baseline when we also take the second and third NACE codes into account and the estimated number of circular jobs is far higher than the baseline. This research upgrades previous classifications of circular sectors and demonstrates how web scraping and novel data might improve our understanding and capacity to build data. Based on the results in this paper, we recommend a uniform data collection such as reporting standards, and an inclusion of all circular strategies in sectoral classifications. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001198897900001 | Publication Date | 2024-02-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2352-5509 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 12.1 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 12.1; 2024 IF: NA | |||
| Call Number | UA @ admin @ c:irua:204552 | Serial | 9241 | ||
| Permanent link to this record | |||||
| Author | Vanden Abeele, M.M.P.; Vandebosch, H.; Koster, E.H.W.; De Leyn, T.; Van Gaeveren, K.; de Segovia Vicente, D.; Van Bruyssel, S.; van Timmeren, T.; De Marez, L.; Poels, K.; DeSmet, A.; De Wever, B.; Verbruggen, M.; Baillien, E. | ||||
| Title | Why, how, when, and for whom does digital disconnection work? A process-based framework of digital disconnection | Type | A1 Journal article | ||
| Year |
2024 | Publication | Communication theory | Abbreviated Journal | |
| Volume | 34 | Issue | 1 | Pages | 3-17 |
| Keywords | A1 Journal article; Mass communications; Media, ICT and interpersonal relations in Organisations and Society (MIOS) | ||||
| Abstract | Digital disconnection has emerged as a concept describing the actions people take to limit their digital connectivity to enhance their well-being. To date, evidence on its effectiveness is mixed, leading to calls for greater consideration of why, how, when, and for whom digital disconnection works. This article responds to these calls, presenting a framework that differentiates four key harms that contribute to experiences of digital ill-being (time displacement, interference, role blurring, and exposure effects). Using these four harms as a starting point, the framework explains: (1) why people are motivated to digitally disconnect; (2) how specific disconnection strategies (i.e., placing limits on time, access, channels, and contents, interactions and features) may help them; and for whom (3) and under which conditions (when) these strategies can be effective. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001154547700001 | Publication Date | 2024-02-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1050-3293; 1468-2885 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:203874 | Serial | 9245 | ||
| Permanent link to this record | |||||
| Author | Tong, J.; Fu, Y.; Domaretskiy, D.; Della Pia, F.; Dagar, P.; Powell, L.; Bahamon, D.; Huang, S.; Xin, B.; Costa Filho, R.N.; Vega, L.F.; Grigorieva, I.V.; Peeters, F.M.; Michaelides, A.; Lozada-Hidalgo, M. | ||||
| Title | Control of proton transport and hydrogenation in double-gated graphene | Type | A1 Journal Article | ||
| Year |
2024 | Publication | Nature | Abbreviated Journal | Nature |
| Volume | 630 | Issue | 8017 | Pages | 619-624 |
| Keywords | A1 Journal Article; Condensed Matter Theory (CMT) ; | ||||
| Abstract | The basal plane of graphene can function as a selective barrier that is permeable to protons but impermeable to all ions and gases, stimulating its use in applications such as membranes, catalysis and isotope separation. Protons can chemically adsorb on graphene and hydrogenate it, inducing a conductor–insulator transition that has been explored intensively in graphene electronic devices. However, both processes face energy barriersand various strategies have been proposed to accelerate proton transport, for example by introducing vacancies, incorporating catalytic metalsor chemically functionalizing the lattice. But these techniques can compromise other properties, such as ion selectivity or mechanical stability. Here we show that independent control of the electric field,<italic>E</italic>, at around 1 V nm<sup>−1</sup>, and charge-carrier density,<italic>n</italic>, at around 1 × 10<sup>14</sup> cm<sup>−2</sup>, in double-gated graphene allows the decoupling of proton transport from lattice hydrogenation and can thereby accelerate proton transport such that it approaches the limiting electrolyte current for our devices. Proton transport and hydrogenation can be driven selectively with precision and robustness, enabling proton-based logic and memory graphene devices that have on–off ratios spanning orders of magnitude. Our results show that field effects can accelerate and decouple electrochemical processes in double-gated 2D crystals and demonstrate the possibility of mapping such processes as a function of<italic>E</italic>and<italic>n</italic>, which is a new technique for the study of 2D electrode–electrolyte interfaces. | ||||
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| Language | Wos | https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001262 | Publication Date | 2024-06-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0028-0836 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 64.8 | Times cited | Open Access | ||
| Notes | This work was supported by UKRI (EP/X017745: M.L.-H; EP/X035891: A.M.), the Directed Research Projects Program of the Research and Innovation Center for Graphene and 2D Materials at Khalifa University (RIC2D-D001: M.L.-H., L.F.V. and D.B.), The Royal Society (URF\R1\201515: M.L.-H.) and the European Research Council (101071937: A.M.). Part of this work was supported by the Flemish Science Foundation (FWO-Vl, G099219N). A.M. acknowledges access to the UK national high-performance computing service (ARCHER2). | Approved | Most recent IF: 64.8; 2024 IF: 40.137 | ||
| Call Number | CMT @ cmt @c:irua:206402 | Serial | 9247 | ||
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| Author | Cai, Y.; Michiels, R.; De Luca, F.; Neyts, E.; Tu, X.; Bogaerts, A.; Gerrits, N. | ||||
| Title | Improving Molecule–Metal Surface Reaction Networks Using the Meta-Generalized Gradient Approximation: CO2Hydrogenation | Type | A1 Journal Article | ||
| Year |
2024 | Publication | The Journal of Physical Chemistry C | Abbreviated Journal | J. Phys. Chem. C |
| Volume | 128 | Issue | 21 | Pages | 8611-8620 |
| Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | Density functional theory is widely used to gain insights into molecule−metal surface reaction networks, which is important for a better understanding of catalysis. However, it is well-known that generalized gradient approximation (GGA) density functionals (DFs), most often used for the study of reaction networks, struggle to correctly describe both gas-phase molecules and metal surfaces. Also, GGA DFs typically underestimate reaction barriers due to an underestimation of the selfinteraction energy. Screened hybrid GGA DFs have been shown to reduce this problem but are currently intractable for wide usage. In this work, we use a more affordable meta-GGA (mGGA) DF in combination with a nonlocal correlation DF for the first time to study and gain new insights into a catalytically important surface reaction network, namely, CO2 hydrogenation on Cu. We show that the mGGA DF used, namely, rMS-RPBEl-rVV10, outperforms typical GGA DFs by providing similar or better predictions for metals and molecules, as well as molecule−metal surface adsorption and activation energies. Hence, it is a better choice for constructing molecule−metal surface reaction networks. |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2024-05-30 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1932-7447 | ISBN | Additional Links | ||
| Impact Factor | 3.7 | Times cited | Open Access | ||
| Notes | H2020 Marie Sklodowska-Curie Actions, 813393 ; Fonds Wetenschappelijk Onderzoek, 1114921N ; H2020 European Research Council, 810182 ; Nederlandse Organisatie voor Wetenschappelijk Onderzoek, 019.202EN.012 ; | Approved | Most recent IF: 3.7; 2024 IF: 4.536 | ||
| Call Number | PLASMANT @ plasmant @ | Serial | 9248 | ||
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| Author | Arts, I.; Saniz, R.; Baldinozzi, G.; Leinders, G.; Verwerft, M.; Lamoen, D. | ||||
| Title | Ab initio study of the adsorption of O, O2, H2O and H2O2 on UO2 surfaces using DFT+U and non-collinear magnetism | Type | A1 Journal Article | ||
| Year |
2024 | Publication | Journal of Nuclear Materials | Abbreviated Journal | Journal of Nuclear Materials |
| Volume | 599 | Issue | Pages | 155249 | |
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | In order to model correctly the corrosion of spent nuclear fuel under disposal conditions, it is important to understand its behavior in the presence of oxidants. To advance in this direction, we consider the oxidation of UO2. We investigate computationally the adsorption of various species on its three most stable surfaces: (111), (110), and (100), with emphasis on incorporating a full non-collinear PBE+U approach. Various species, namely O, O2, H2O and H2O2 are considered due to their relevance for the oxidation of UO2. The dissociation energy and an estimate for the dissociation barrier for O2 were obtained, using the preferred adsorption configurations of O and O2. The adsorption configurations for H2O in our study compare well with previous studies that used collinear approximations, both in terms of relative stability of configurations and bond lengths. Differences in adsorption energies were found, which may be important for reaction kinetics. Dissociative reactions in which the water molecule splits in hydrogen and hydroxyl occur only on one of the three surfaces. The hydrogen further reacts with a surface oxygen to also form a hydroxyl group. Not surprisingly, we find that H2O2 binds more strongly to the three surfaces than water (lower formation energy), and similar to H2O adsorption, dissociative reactions may occur. The dissociated hydrogen reacts with a surface oxygen to form a hydroxyl group and the hydroperoxyl molecule binds with a surface uranium. Our study, which includes a detailed study of electron transfer, magnetic structure and the preferred adsorption configurations, gives insight into the uranium oxidation states and the influence of surface geometry on adsorption. The findings contribute to a more comprehensive understanding of the early stages of UO2 oxidation. | ||||
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| Language | Wos | https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001262 | Publication Date | 2024-06-25 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0022-3115 | ISBN | Additional Links | UA library record; WoS full record; WoS full record | |
| Impact Factor | 3.1 | Times cited | Open Access | ||
| Notes | Financial support for this research was provided by the Energy Transition Fund of the Belgian FPS Economy (Project SF-CORMOD: Spent Fuel – Corrosion modeling). This work was performed using HPC resources from the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government department EWI (Economie, Wetenschap & Innovatie). | Approved | Most recent IF: 3.1; 2024 IF: 2.048 | ||
| Call Number | EMAT @ emat @c:irua:207055 | Serial | 9249 | ||
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| Author | Ding, Y.; Wang, C.; Bandaru, S.; Pei, L.; Zheng, R.; Hau Ng, Y.; Arenas Esteban, D.; Bals, S.; Zhong, J.; Hofkens, J.; Van Tendeloo, G.; Roeffaers, M.B.J.; Chen, L.-H.; Su, B.-L. | ||||
| Title | Cs3Bi2Br9 nanoparticles decorated C3N4 nanotubes composite photocatalyst for highly selective oxidation of benzylic alcohol | Type | A1 Journal Article | ||
| Year |
2024 | Publication | Journal of Colloid and Interface Science | Abbreviated Journal | Journal of Colloid and Interface Science |
| Volume | 672 | Issue | Pages | 600-609 | |
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | Solar-light driven oxidation of benzylic alcohols over photocatalysts endows significant prospects in value-added organics evolution owing to its facile, inexpensive and sustainable process. However, the unsatisfactory performance of actual photocatalysts due to the inefficient charge separation, low photoredox potential and sluggish surface reaction impedes the practical application of this process. Herein, we developed an innovative Z-Scheme Cs3BiBr9 nanoparticles@porous C3N4 tubes (CBB-NP@P-tube-CN) heterojunction photocatalyst for highly selective benzyl alcohol oxidation. Such composite combining increased photo-oxidation potential, Z-Scheme charge migration route as well as the structural advantages of porous tubular C3N4 ensures the accelerated mass and ions diffusion kinetics, the fast photoinduced carriers dissociation and sufficient photoredox potentials. The CBB-NP@P-tube-CN photocatalyst demonstrates an exceptional performance for selective photo-oxidation of benzylic alcohol into benzaldehyde with 19, 14 and 3 times higher benzylic alcohols conversion rate than those of C3N4 nanotubes, Cs3Bi2Br9 and Cs3Bi2Br9@bulk C3N4 photocatalysts, respectively. This work offers a sustainable photocatalytic system based on lead-free halide perovskite toward large scale solar-light driven value-added chemicals production. | ||||
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| Language | Wos | 001251644100001 | Publication Date | 2024-06-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-9797 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.9 | Times cited | Open Access | ||
| Notes | This work is financially supported by the Zhejiang Provincial Natural Science Foundation of China (No. LQ24E020011), and National Natural Science Foundation of China (No. 12374372, 52072101)., Program for Changjiang Scholars and Innovative Research Team in University (IRT_15R52) of the Chinese Ministry of Education and Program of Introducing Talents of Discipline to Universities-Plan 111 (Grant No. B20002) from the Ministry of Science and Technology and the Ministry of Education of China. This research is also supported by the European Commission Interreg V France-Wallonie-Vlaanderen project “DepollutAir”. | Approved | Most recent IF: 9.9; 2024 IF: 4.233 | ||
| Call Number | EMAT @ emat @c:irua:206675 | Serial | 9250 | ||
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| Author | Michiels, R.; Gerrits, N.; Neyts, E.; Bogaerts, A. | ||||
| Title | Plasma Catalysis Modeling: How Ideal Is Atomic Hydrogen for Eley–Rideal? | Type | A1 Journal Article | ||
| Year |
2024 | Publication | The Journal of Physical Chemistry C | Abbreviated Journal | J. Phys. Chem. C |
| Volume | 128 | Issue | 27 | Pages | 11196-11209 |
| Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | Plasma catalysis is an emerging technology, but a lot of questions about the underlying surface mechanisms remain unanswered. One of these questions is how important Eley−Rideal (ER) reactions are, next to Langmuir−Hinshelwood reactions. Most plasma catalysis kinetic models predict ER reactions to be important and sometimes even vital for the surface chemistry. In this work, we take a critical look at how ER reactions involving H radicals are incorporated in kinetic models describing CO2 hydrogenation and NH3 synthesis. To this end, we construct potential energy surface (PES) intersections, similar to elbow plots constructed for dissociative chemisorption. The results of the PES intersections are in agreement with ab initio molecular dynamics (AIMD) findings in literature while being computationally much cheaper. We find that, for the reactions studied here, adsorption is more probable than a reaction via the hot atom (HA) mechanism, which in turn is more probable than a reaction via the ER mechanism. We also conclude that kinetic models of plasma-catalytic systems tend to overestimate the importance if ER reactions. Furthermore, as opposed to what is often assumed in kinetic models, the choice of catalyst will influence the ER reaction probability. Overall, the description of ER reactions is too much “ideal” in models. Based on our indings, we make a number of recommendations on how to incorporate ER reactions in kinetic models to avoid overestimation of their importance. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2024-07-11 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1932-7447 | ISBN | Additional Links | ||
| Impact Factor | 3.7 | Times cited | Open Access | ||
| Notes | Fonds Wetenschappelijk Onderzoek, 1114921N ; Horizon 2020 Framework Programme, 810182 ; | Approved | Most recent IF: 3.7; 2024 IF: 4.536 | ||
| Call Number | PLASMANT @ plasmant @ | Serial | 9251 | ||
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| Author | Jeong, Y.; Han, B.; Tamayo, A.; Claes, N.; Bals, S.; Samorì, P. | ||||
| Title | Defect Engineering of MoTe2via Thiol Treatment for Type III van der Waals Heterojunction Phototransistor | Type | A1 Journal Article | ||
| Year |
2024 | Publication | ACS Nano | Abbreviated Journal | ACS Nano |
| Volume | 18 | Issue | 28 | Pages | 18334-18343 |
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | Molybdenum ditelluride (MoTe2) nanosheets have displayed intriguing physicochemical properties and opto-electric characteristics as a result of their tunable and small band gap (Eg ∼ 1 eV), facilitating concurrent electron and hole transport. Despite the numerous efforts devoted to the development of p-type MoTe2 field-effect transistors (FETs), the presence of tellurium (Te) point vacancies has caused serious reliability issues. Here, we overcome this major limitation by treating the MoTe2 surface with thiolated molecules to heal Te vacancies. Comprehensive materials and electrical characterizations provided unambiguous evidence for the efficient chemisorption of butanethiol. Our thiol-treated MoTe2 FET exhibited a 10-fold increase in hole current and a positive threshold voltage shift of 25 V, indicative of efficient hole carrier doping. We demonstrated that our powerful molecular engineering strategy can be extended to the controlled formation of van der Waals heterostructures by developing an n-SnS2/thiol-MoTe2 junction FET (thiol-JFET). Notably, the thiol-JFET exhibited a significant negative photoresponse with a responsivity of 50 A W−1 and a fast response time of 80 ms based on band-to-band tunneling. More interestingly, the thiol-JFET displayed a gate tunable trimodal photodetection comprising two photoactive modes (positive and negative photoresponse) and one photoinactive mode. These findings underscore the potential of molecular engineering approaches in enhancing the performance and functionality of MoTe2-based nanodevices as key components in advanced 2D-based optoelectronics. |
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| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001264 | Publication Date | 2024-07-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1936-0851 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles; WoS full record | |
| Impact Factor | 17.1 | Times cited | Open Access | ||
| Notes | The authors acknowledge the financial support from the FLAG-ERA project MULTISPIN funded by the Agence Nationale de la Recherche (ANR-21-GRF1-0003-01). We also acknowledge funding from the European Union’s Horizon Europe research and innovation programme through the project HYPERSONIC (GA-101129613) and the ERC project SUPRA2DMAT (GA-833707) as well as the ANR through the Interdisciplinary Thematic Institute SysChem via the IdEx Unistra (ANR-10-IDEX-0002) within the program Investissement d’Avenir, the Foundation Jean-Marie Lehn and the Institut Universitaire de France (IUF). This work was also supported by National Research Foundation of Korea (NRF) grant funded by Korea government (MSIT) (No. RS-2023- 00251360). | Approved | Most recent IF: 17.1; 2024 IF: 13.942 | ||
| Call Number | EMAT @ emat @c:irua:207002 | Serial | 9252 | ||
| Permanent link to this record | |||||
| Author | Manaigo, F.; Chatterjee, A.; Bogaerts, A.; Snyders, R. | ||||
| Title | Insight in NO synthesis in a gliding arc plasma via gas temperature and density mapping by laser-induced fluorescence | Type | A1 Journal Article | ||
| Year |
2024 | Publication | Plasma Sources Science and Technology | Abbreviated Journal | Plasma Sources Sci. Technol. |
| Volume | 33 | Issue | 7 | Pages | 075005 |
| Keywords | A1 Journal Article; plasma nitrogen fixation, gliding arc plasmatron, laser-induced fluorescence, afterglow rotational temperature, afterglow NO concentration; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | A gliding arc (GA) plasma, operating at atmospheric pressure in a gas mixture of 50% N<sub>2</sub>and 50% O<sub>2</sub>, is studied using laser-induced fluorescence spectroscopy. The main goal is to determine the two-dimensional distribution of both the gas temperature and the NO ground state density in the afterglow. As GA plasma discharges at atmospheric pressure normally produce rather high NO<sub><italic>x</italic></sub>densities, the high concentration of relevant absorbers, such as NO, may impose essential restrictions for the use of ‘classical’ laser-induced fluorescence methods (dealing with excitation in the bandhead vicinity), as the laser beam would be strongly absorbed along its propagation in the afterglow. Since this was indeed the case for the studied discharge, an approach dealing with laser-based excitation of separate rotational lines is proposed. In this case, due to a non-saturated absorption regime, simultaneous and reliable measurements of both the NO density and the gas temperature (using a reference fitting spectrum) are possible. The proposed method is applied to provide a two-dimensional map for both the NO density and the gas temperature at different plasma conditions. The results show that the input gas flow rate strongly alters the plasma shape, which appears as an elongated column at low input gas flow rate and spreads laterally as the flow rate increases. Finally, based on temperature map analysis, a clear correlation between the gas temperature and NO concentration is found. The proposed method may be interesting for the plasma-chemical analysis of discharges with high molecular production yields, where knowledge of both molecular concentration and gas temperature is required. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2024-07-01 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0963-0252 | ISBN | Additional Links | ||
| Impact Factor | 3.8 | Times cited | Open Access | ||
| Notes | Fonds De La Recherche Scientifique – FNRS, EOS O005118F ; | Approved | Most recent IF: 3.8; 2024 IF: 3.302 | ||
| Call Number | PLASMANT @ plasmant @ | Serial | 9253 | ||
| Permanent link to this record | |||||
| Author | Wanten, B.; Gorbanev, Y.; Bogaerts, A. | ||||
| Title | Plasma-based conversion of CO2 and CH4 into syngas: A dive into the effect of adding water | Type | A1 Journal Article | ||
| Year |
2024 | Publication | Fuel | Abbreviated Journal | Fuel |
| Volume | 374 | Issue | Pages | 132355 | |
| Keywords | A1 Journal Article; Plasma Bi-reforming of methane Atmospheric pressure glow discharge Hydrogen-rich syngas; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | Plasma technology can play a vital role in the electrification and decarbonization of chemical processes. In this work, we carried out the bi-reforming of methane (BRM), producing syngas out of H2O vapor and the greenhouse gases CO2 and CH4, in an atmospheric pressure glow discharge reactor. Compared to dry reforming of methane (DRM), the addition of H2O helps in counteracting soot formation, and thus avoids severe destabilization of the generated plasma. A mixture of 14–41-45 vol% (CO2-CH4-H2O) leads to the overall best results in terms of stable plasma and performance metrics. We obtained a CO2 and CH4 conversion of 49 % and 74 %, respectively, at a SEI of 210 kJ/mol. The energy cost is 390 kJ/mol converted reactants, which is below the target defined for plasmabased syngas production to be competitive with other technologies. Moreover, we reached CO and H2 yields of 59 % and 49 %, and a syngas ratio (SR) of 2, which is ideal for further methanol synthesis. |
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| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2024-07-15 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0016-2361 | ISBN | Additional Links | ||
| Impact Factor | 7.4 | Times cited | Open Access | ||
| Notes | This project has received funding from the BlueApp Proof-of-Concept project “Optanic”, the VLAIO-Catalisti ICON project “BluePlasma” (grant ID HBC.2022.0445), and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement no. 810182─SCOPE ERC Synergy project). | Approved | Most recent IF: 7.4; 2024 IF: 4.601 | ||
| Call Number | PLASMANT @ plasmant @ | Serial | 9254 | ||
| Permanent link to this record | |||||
| Author | Quintelier, M.; Hajizadeh, A.; Zintler, A.; Gonçalves, B.F.; Fernández de Luis, R.; Esrafili Dizaji, L.; Vande Velde, C.M.L.; Wuttke, S.; Hadermann, J. | ||||
| Title | In SituStudy of the Activation Process of MOF-74 Using Three-Dimensional Electron Diffraction | Type | A1 Journal Article | ||
| Year |
2024 | Publication | Chemistry of Materials | Abbreviated Journal | Chem. Mater. |
| Volume | Issue | Pages | |||
| Keywords | A1 Journal Article; 3DED; MOFs; in situ; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | Metal–organic framework (MOF)-74 is known for its effectiveness in selectively capturing carbon dioxide (CO2). Especially the Zn and Cu versions of MOF-74 show high efficiency of this material for CO2. However, the activation of this MOF, which is a crucial step for its utilization, is so far not well understood. Here, we are closing the knowledge gap by examining the activation using, for the first time in the MOF, three-dimensional electron diffraction (3DED) during in situ heating. The use of state-of-the-art direct electron detectors enables rapid acquisition and minimal exposure times, therefore minimizing beam damage to the very electron beam-sensitive MOF material. The activation process of Zn-MOF-74 and Cu-MOF-74 is systematically studied in situ, proving the creation of open metal sites. Differences in thermal stability between Zn-MOF-74 and Cu-MOF-74 are attributed to the strength of the metal–oxygen bonds and Jahn–Teller distortions. In the case of Zn-MOF-74, we observe previously unknown remaining electrostatic potentials inside the MOF pores, which indicate the presence of remaining atoms that might impede gas flow throughout the structure when using the MOF for absorption purposes. We believe our study exemplifies the significance of employing advanced characterization techniques to enhance our material understanding, which is a crucial step for unlocking the full potential of MOFs in various applications. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001275 | Publication Date | 2024-07-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 8.6 | Times cited | Open Access | ||
| Notes | European Regional Development Fund, PID2021-122940OB-C31 ; H2020 Energy, 101022633 ; Universiteit Antwerpen, BOF TOP 38689 ; H2020 Marie Sklodowska-Curie Actions, 956099 ; Fonds Wetenschappelijk Onderzoek, I003218N ; Japan Science and Technology Agency, JPMJSC2102 ; Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo; Agencia Estatal de Investigaci?n,Ministerio de Ciencia, Innovaci?n y Universidades, PID2021-122940OB-C31 TED2021-130621B-C42 ; | Approved | Most recent IF: 8.6; 2024 IF: 9.466 | ||
| Call Number | EMAT @ emat @c:irua:207555 | Serial | 9255 | ||
| Permanent link to this record | |||||
| Author | Pedrazo-Tardajos, A.; Claes, N.; Wang, D.; Sánchez-Iglesias, A.; Nandi, P.; Jenkinson, K.; De Meyer, R.; Liz-Marzán, L.M.; Bals, S. | ||||
| Title | Direct visualization of ligands on gold nanoparticles in a liquid environment | Type | A1 Journal Article | ||
| Year |
2024 | Publication | Nature Chemistry | Abbreviated Journal | Nat. Chem. |
| Volume | Issue | Pages | |||
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | The interaction among Au nanoparticles, their surface ligands and the solvent critically influences the properties of nanoparticles. Despite employing spectroscopic and scattering techniques to investigate their ensemble structure, a comprehensive understanding at the nanoscale remains elusive. Electron microscopy enables characterization of the local structure and composition but is limited by insufficient contrast, electron beam sensitivity and ultra-high vacuum, which prevent the investigation of dynamic aspects. Here we show that, by exploiting high-quality graphene liquid cells, we can overcome these limitations and investigate the structure of the ligand shell around the Au nanoparticles, as well as the ligand-Au interface in a liquid environment. Using this graphene liquid cell, we visualize the anisotropy, composition and dynamics of ligand distribution at the Au nanorod surface. Our results indicate a micellar model for the surfactant organisation. This work opens up a reliable and direct visualization of ligand distribution around colloidal nanoparticles. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001257 | Publication Date | 2024-06-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1755-4330 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles; WoS full record | |
| Impact Factor | 21.8 | Times cited | Open Access | ||
| Notes | S.B., and A.P.-T. acknowledge financial support from the European Commission under the Horizon 2020 Programme by grant no. 731019 (EUSMI) and ERC Consolidator grant no. 815128 (REALNANO). D.W. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in Horizon 2020 program (Grant 894254 SuprAtom). L.L.-M. acknowledges financial support from the European Research Council (ERC Advanced Grant 787510, 4DbioSERS) and the Spanish State Research Agency (Project PID2020-117779RB-I00 and MDM-2017-0720). The authors acknowledge Dr. J. Mosquera and Dr. Jimenez de Aberasturi for provision of samples and useful discussions. | Approved | Most recent IF: 21.8; 2024 IF: 25.87 | ||
| Call Number | EMAT @ emat @c:irua:207062 | Serial | 9256 | ||
| Permanent link to this record | |||||
| Author | Maerivoet, S.; Wanten, B.; De Meyer, R.; Van Hove, M.; Van Alphen, S.; Bogaerts, A. | ||||
| Title | Effect of O2on Plasma-Based Dry Reforming of Methane: Revealing the Optimal Gas Composition via Experiments and Modeling of an Atmospheric Pressure Glow Discharge | Type | A1 Journal Article | ||
| Year |
2024 | Publication | ACS Sustainable Chemistry & Engineering | Abbreviated Journal | ACS Sustainable Chem. Eng. |
| Volume | 12 | Issue | 30 | Pages | 11419-11434 |
| Keywords | A1 Journal Article; plasma-based conversion, thermal plasma, syngas production, CO2 conversion, CH4 conversio; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | Plasma technology is gaining increasing interest for the conversion of greenhouse gases, such as CO2 and CH4, into value-added chemicals using (renewable) electricity. In this paper, we study the effect of O2 addition to the combined conversion of CO2 and CH4 in an atmospheric pressure glow discharge plasma. This process is called “oxidative CO2 reforming of methane”, and we search for the optimal gas mixing ratio in terms of conversion, energy cost, product output and plasma stability. A mixing ratio of 42.5:42.5:15 CO2/CH4/O2 yields the best performance, with a CO2 and CH4 conversion of 50 and 74%, respectively, and an energy cost as low as 2 eV molecule−1 (corresponding to 7.9 kJ L−1 and 190 kJ mol−1), i.e., clearly below the target defined to be competitive with other technologies. The syngas components (CO and H2) are the most important products, with a syngas ratio, H2/CO, being 0.8. Plasma destabilization at high CH4 fractions due to solid carbon formation is the limiting factor for further improving this syngas ratio. The solid carbon material is found to be contaminated with steel particles originating from the electrode material, rendering it unappealing as a side product. Therefore, O2 addition helps to remove the carbon formation. Besides the experiments, we developed a 2D axisymmetric fluid dynamics model, which can successfully predict the experimental trends in conversion, product composition and temperatures, while providing unique insights in the formation of CxHy species. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001280 | Publication Date | 2024-07-29 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 8.4 | Times cited | Open Access | ||
| Notes | Universiteit Antwerpen; Fonds Wetenschappelijk Onderzoek, 40007511 G0I1822N ; H2020 European Research Council, 810182 ; | Approved | Most recent IF: 8.4; 2024 IF: 5.951 | ||
| Call Number | PLASMANT @ plasmant @c:irua:207488 | Serial | 9257 | ||
| Permanent link to this record | |||||
| Author | Chowdhury, M.S.; Esteban, D.A.; Amin, R.; Román-Freijeiro, C.; Rösch, E.L.; Etzkorn, M.; Schilling, M.; Ludwig, F.; Bals, S.; Salgueiriño, V.; Lak, A. | ||||
| Title | Organic Molecular Glues to Design Three-Dimensional Cubic Nano-assemblies of Magnetic Nanoparticles | Type | A1 Journal Article | ||
| Year |
2024 | Publication | Chemistry of Materials | Abbreviated Journal | Chem. Mater. |
| Volume | 36 | Issue | 14 | Pages | 6865-6876 |
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001275 | Publication Date | 2024-07-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 8.6 | Times cited | Open Access | ||
| Notes | Ministerio de Ciencia e Innovaci?n, PID2020-119242-I00 ; Deutsche Forschungsgemeinschaft, LA 4923/3-1 RTG 1952 ; Horizon 2020 Framework Programme, 823717 ; | Approved | Most recent IF: 8.6; 2024 IF: 9.466 | ||
| Call Number | EMAT @ emat @c:irua:207594 | Serial | 9258 | ||
| Permanent link to this record | |||||
| Author | Cavallo, M.; Dosa, M.; Nakazato, R.; Porcaro, N.G.; Signorile, M.; Quintelier, M.; Hadermann, J.; Bordiga, S.; Rosero-Navarro, N.C.; Tadanaga, K.; Crocellà, V.; Bonino, F. | ||||
| Title | Insight on Zn-Al LDH as electrocatalyst for CO2 reduction reaction: An in-situ ATR-IR study | Type | A1 Journal Article | ||
| Year |
2024 | Publication | Journal of CO2 Utilization | Abbreviated Journal | Journal of CO2 Utilization |
| Volume | 83 | Issue | Pages | 102804 | |
| Keywords | A1 Journal Article; In-situ ATR-IR spectroscopy; Layered Double Hydroxide; CO2 reduction reaction; Electrocatalysis; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | Electrochemical reduction of CO2 (CO2RR) is expected to play a key role among the various strategies being explored to limit global warming. In this scenario, Layered Double Hydroxides (LDHs) are emerging as a promising class of electrocatalysts to replace the most used noble metals. In this work three Zn-Al LDH with different Zn2+/Al3+ ratio were synthesized and characterized by means of XRD, STEM-EDX and HR-TEM. Their suitability for CO2RR to CO was assessed by means of a custom-made three-compartment cell, showing an increase in CO selectivity by decreasing the Zn2+/Al3+ ratio. The CO2 interaction with the samples was firstly characterized by means of volumetric adsorption measurements, exhibiting an increase in capture capacity by decreasing the Zn2+/Al3+ ratio. The evolution of the samples in interaction with a CO2-saturated liquid flow was then deeply investigated by means of in-situ ATR-IR spectroscopy. The samples displayed a different evolution in the vibrational region of the carbonate-like species (1800–1200 cm???? 1). To better discriminate the different carbonate cyclohexane was also employed. A definitive assignment of the main IR bands of the carbonate was carried out by studying the spectral behavior of the different bands observed in the ATR-IR experiments and by comparing these results with the existing literature. Interestingly, Zn-Al 1:2 LDH, the most efficient electrocatalyst for CO2RR, is also the sole sample exhibiting a higher monodentate to total bidentate carbonates ratio, suggesting that the existence of a higher content of low coordination oxygen anions with stronger basic character can influence the final catalytic activity. |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001264 | Publication Date | 2024-05-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2212-9820 | ISBN | Additional Links | UA library record; WoS full record; WoS full record | |
| Impact Factor | 7.7 | Times cited | Open Access | ||
| Notes | This work was supported by 4AirCRAFT project under the strategic international cooperation between Europe and Japan. 4AirCRAFT has received funding from the European Union’s Horizon 2020 research and innovation programme (No 101022633) and Japan Science and Technology Agency (JST) (No JPMJSC2102). We acknowledge the Hercules fund ’Direct electron detector for soft matter TEM’ from Flemish Government for the purchase of the K2 DED. MC, MD, NGP, MS, SB, VC and FB acknowledge support from the Project CH4.0 under the MUR program “Dipartimenti di Eccellenza 2023–2027” (CUP: D13C22003520001) | Approved | Most recent IF: 7.7; 2024 IF: 4.292 | ||
| Call Number | EMAT @ emat @c:irua:207069 | Serial | 9259 | ||
| Permanent link to this record | |||||
| Author | Lv, H.; Meng, S.; Cui, Z.; Li, S.; Li, D.; Gao, X.; Guo, H.; Bogaerts, A.; Yi, Y. | ||||
| Title | Plasma-catalytic direct oxidation of methane to methanol over Cu-MOR: Revealing the zeolite-confined Cu2+ active sites | Type | A1 Journal Article | ||
| Year |
2024 | Publication | Chemical Engineering Journal | Abbreviated Journal | Chemical Engineering Journal |
| Volume | 496 | Issue | Pages | 154337 | |
| Keywords | A1 Journal Article; Direct oxidation Methanol production Plasma catalysis Copper-mordenite catalysts; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | Efficient methane conversion to methanol remains a significant challenge in chemical industry. This study investigates the direct oxidation of methane to methanol under mild conditions, employing a synergy of nonthermal plasma and Cu-MOR (Copper-Mordenite) catalysts. Catalytic tests demonstrate that the Cu-MOR IE-3 catalyst (i.e., prepared by three cycles of ion exchange) exhibits superior catalytic performance (with 51 % methanol selectivity and 7.9 % methane conversion). Conversely, the Cu-MOR catalysts prepared via wetness impregnation tend to over-oxidize CH4 to CO and CO2. Through systematic catalyst characterizations (XRD, TPR, UV–Vis, HRTEM, XPS), we elucidate that ion exchange mainly leads to the formation of zeolite-confined Cu2+ species, while wetness impregnation predominantly results in CuO particles. Based on the catalytic performance, catalyst characterizations and in-situ FTIR spectra, we conclude that zeolite-confined Cu2+ species serve as the active sites for plasma-catalytic direct oxidation of methane to methanol. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2024-08-02 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1385-8947 | ISBN | Additional Links | ||
| Impact Factor | 15.1 | Times cited | Open Access | ||
| Notes | PetroChina Innovation Foundation, 2018D-5007-0501 ; Fundamental Research Funds for the Central Universities, DUT21JC40 ; Fundamental Research Funds for the Central Universities; China Scholarship Council; National Natural Science Foundation of China, 22272015 ; | Approved | Most recent IF: 15.1; 2024 IF: 6.216 | ||
| Call Number | PLASMANT @ plasmant @ | Serial | 9260 | ||
| Permanent link to this record | |||||
| Author | Van Daele, K.; Balalta, D.; Hoekx, S.; Jacops, R.; Daems, N.; Altantzis, T.; Pant, D.; Breugelmans, T. | ||||
| Title | Synergy or Antagonism? Exploring the Interplay of SnO2and an N-OMC Carbon Capture Medium for the Electrochemical CO2Reduction toward Formate | Type | A1 Journal Article | ||
| Year |
2024 | Publication | ACS Applied Energy Materials | Abbreviated Journal | ACS Appl. Energy Mater. |
| Volume | 7 | Issue | 13 | Pages | 5517-5527 |
| Keywords | A1 Journal Article; nitrogen-doped ordered mesoporous carbon, SnO2, degradation pathways, electrochemical CO2 reduction, formate; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | Closing the anthropogenic carbon cycle by means of the sustainable electrochemical CO2 reduction (eCO2R) toward formate (FA) is a promising strategy for CO2 abatement, clearing the path toward a carbon neutral future. Currently, three possible reaction pathways have been identified for the eCO2R toward FA, all of which are initiated by the adsorption of CO2 on the electrocatalyst’s surface. Therefore, a possible strategy to enhance the availability of CO2 near the active sites is to combine an active electrocatalyst material (here, SnO2) with a known carbon capture medium (here, nitrogen-doped ordered mesoporous carbon (N-OMC)). SnO2 was introduced in situ during the N-OMC synthesis, yielding SnO2-N-OMCs. We approached the state of the art for Sn-based N-doped carbon electrocatalysts in terms of performance under industrially relevant currents with an average FEFA of 59% for SnO2-N-OMC (6) and 61% for SnO2-N-OMC (2). Moreover, the SnO2-N-OMC electrocatalysts require a low overpotential, courtesy of the N-OMC support, compared to the state of the art, for the selective conversion of CO2 toward FA at the industrially relevant current density of 100 mA cm–2. Additionally, the 24 h stability of the best performing SnO2-N-OMC electrocatalysts is explored, and pulverization/agglomeration and in situ SnO2 reduction are identified as major degradation pathways, allowing future research to be steered more accurately toward more stable Sn-based electrocatalysts for the eCO2R toward FA. An optimal combination of both the SnO2 species and the N-OMC carbon capture medium could result in a synergistic effect, especially when utilization of the N-OMC support material is optimized to morphologically stabilize the SnO2 active species. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001253 | Publication Date | 2024-07-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2574-0962 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.4 | Times cited | Open Access | ||
| Notes | K.V.D. received financial support through a PhD fellowship strategic basic research (1S83320N) from the Research Foundation Flanders (FWO). Additionally, this project received funding in the framework of the Catalisti cluster SBO project CO2PERATE (“All renewable CCU based on formic acid integrated in an industrial micro-grid”), with financial support of VLAIO (Flemish Agency for Innovation and Entrepreneurship) (UA & VITO). Furthermore, this research was supported by the Interreg 2 Seas-program 2014–2020, cofunded by the European Regional Development Fund under subsidy contract no. E2C 2S03-019 (UA & VITO). D.B. and D.P. acknowledge the support from European Union’s Horizon 2020 MSCA-ITN programme under grant agreement no. 955650 (CATCHY). S.H. is financially supported through a PhD fellowship strategic basic research (1S42623N) from the Research Foundation Flanders (FWO). R.J. received financial support of the federal Energy Transition Fund by FPS Economy. T.A. acknowledges funding from the University of Antwerp Research fund (BOF). We acknowledge Prof. Tom Hauffman and Kitty Baert from the Electrochemical and Surface Engineering research group (SURF) at the VUB (Vrije Universiteit Brussel) for the XPS measurements, Prof. Christophe Vande Velde from the Intelligence in Processes, Advanced Catalysts and Solvents (iPRACS, UAntwerp) research group for the XRD analysis, and Prof. Pegie Cool, Prof. Vera Meynen, and Radu-George Ciocarlan from the Laboratory of Adsorption and Catalysis (LADCA, UAntwerp) for the nitrogen physisorption and Raman spectroscopy measurements. | Approved | Most recent IF: 6.4; 2024 IF: NA | ||
| Call Number | EMAT @ emat @c:irua:206409 | Serial | 9261 | ||
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| Author | de Block, T.; De Baetselier, I.; Van den Bossche, D.; Abdellati, S.; Gestels, Z.; Laumen, J.G.E.; Van Dijck, C.; Vanbaelen, T.; Claes, N.; Vandelannoote, K.; Kenyon, C.; Harrison, O.; Santhini Manoharan-Basil, S. | ||||
| Title | Genomic oropharyngeal Neisseria surveillance detects MALDI-TOF MS species misidentifications and reveals a novel Neisseria cinerea clade | Type | A1 Journal Article | ||
| Year |
2024 | Publication | Journal of Medical Microbiology | Abbreviated Journal | |
| Volume | 73 | Issue | 8 | Pages | |
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | Introduction. Commensal Neisseria spp. are highly prevalent in the oropharynx as part of the healthy microbiome. N. meningitidis can colonise the oropharynx too from where it can cause invasive meningococcal disease. To identify N. meningitidis, clinical microbiology laboratories often rely on Matrix Assisted Laser Desorption/Ionisation Time of Flight Mass Spectrometry (MALDI-TOF MS). Hypothesis/Gap statement. N. meningitidis may be misidentified by MALDI-TOF MS. Aim. To conduct genomic surveillance of oropharyngeal Neisseria spp. in order to: (i) verify MALDI-TOF MS species identification, and (ii) characterize commensal Neisseria spp. genomes. Methodology. We analysed whole genome sequence (WGS) data from 119 Neisseria spp. isolates from a surveillance programme for oropharyngeal Neisseria spp. in Belgium. Different species identification methods were compared: (i) MALDI-TOF MS, (ii) Ribosomal Multilocus Sequence Typing (rMLST) and (iii) rplF gene species identification. WGS data were used to further characterize Neisseria species found with supplementary analyses of Neisseria cinerea genomes. Results. Based on genomic species identification, isolates from the oropharyngeal Neisseria surveilence study were composed of the following species: N. meningitidis (n=23), N. subflava (n=61), N. mucosa (n=15), N. oralis (n=8), N. cinerea (n=5), N. elongata (n=3), N. lactamica (n=2), N. bacilliformis (n=1) and N. polysaccharea (n=1). Of these 119 isolates, four isolates identified as N. meningitidis (n=3) and N. subflava (n=1) by MALDI-TOF MS, were determined to be N. polysaccharea (n=1), N. cinerea (n=2) and N. mucosa (n=1) by rMLST. Phylogenetic analyses revealed that N. cinerea isolates from the general population (n=3, cluster one) were distinct from those obtained from men who have sex with men (MSM, n=2, cluster two). The latter contained genomes misidentified as N. meningitidis using MALDI-TOF MS. These two N. cinerea clusters persisted after the inclusion of published N. cinerea WGS (n=42). Both N. cinerea clusters were further defined through pangenome and Average Nucleotide Identity (ANI) analyses. Conclusion. This study provides insights into the importance of genomic genus-wide Neisseria surveillance studies to improve the characterization and identification of the Neisseria genus. |
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2024-08-30 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0022-2615 | ISBN | Additional Links | ||
| Impact Factor | 3 | Times cited | Open Access | ||
| Notes | We would like to thank all the study participants for their help in this study. This research was supported by SOFI 2021 grant—‘PReventing the Emergence of untreatable STIs via radical Prevention’ (PRESTIP). | Approved | Most recent IF: 3; 2024 IF: 2.159 | ||
| Call Number | EMAT @ emat @ | Serial | 9262 | ||
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| Author | Espona‐Noguera, A.; Živanić, M.; Smits, E.; Bogaerts, A.; Privat‐Maldonado, A.; Canal, C. | ||||
| Title | Unlocking Novel Anticancer Strategies: Bioactive Hydrogels for Local Delivery of Plasma‐Derived Oxidants in an In Ovo Cancer Model | Type | A1 Journal Article | ||
| Year |
2024 | Publication | Macromolecular Bioscience | Abbreviated Journal | Macromolecular Bioscience |
| Volume | Issue | Pages | |||
| Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | Cold atmospheric plasma (CAP) is a tool with the ability to generate reactive oxygen and nitrogen species (RONS), which can induce therapeutic effects like disinfection, wound healing, and cancer treatment. In the plasma oncology field, CAP‐treated hydrogels (PTHs) are being explored for the local administration of CAP‐derived RONS as a novel anticancer approach. PTHs have shown anticancer effects in vitro, however, they have not yet been studied in more relevant cancer models. In this context, the present study explores for the first time the therapeutic potential of PTHs using an advanced in ovo cancer model. PTHs composed of alginate (Alg), gelatin (Gel), Alg/Gel combination, or Alg/hyaluronic acid (HA) combination are investigated. All embryos survived the PTHs treatment, suggesting that the in ovo model could become a time‐ and cost‐effective tool for developing hydrogel‐based anticancer approaches. Results revealed a notable reduction in CD44+ cell population and their proliferative state for the CAP‐treated Alg‐HA condition. Moreover, the CAP‐treated Alg‐HA formulation alters the extracellular matrix composition, which may help combat drug‐resistance. In conclusion, the present study validates the utility of in ovo cancer model for PTHs exploration and highlights the promising potential of Alg‐based PTHs containing HA and CAP‐derived RONS for cancer treatment. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2024-07-05 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1616-5187 | ISBN | Additional Links | ||
| Impact Factor | 4.6 | Times cited | Open Access | ||
| Notes | Generalitat de Catalunya, SGR2022‐1368 ; European Cooperation in Science and Technology, COSTActionCA20114(TherapeuticalApplicationsofColdPlasmas) ; | Approved | Most recent IF: 4.6; 2024 IF: 3.238 | ||
| Call Number | PLASMANT @ plasmant @ | Serial | 9263 | ||
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| Author | Vertongen, R.; De Felice, G.; van den Bogaard, H.; Gallucci, F.; Bogaerts, A.; Li, S. | ||||
| Title | Sorption-Enhanced Dry Reforming of Methane in a DBD Plasma Reactor for Single-Stage Carbon Capture and Utilization | Type | A1 Journal Article | ||
| Year |
2024 | Publication | ACS Sustainable Chemistry & Engineering | Abbreviated Journal | ACS Sustainable Chem. Eng. |
| Volume | 12 | Issue | 29 | Pages | 10841-10853 |
| Keywords | A1 Journal Article; plasma, dry reforming of methane, dielectric barrier discharge, sorbent, carbon capture and utilization, zeolite; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | Plasma−sorbent systems are a novel technology for single-stage carbon capture and utilization (CCU), where the plasma enables the desorption of CO2 from a sorbent and the simultaneous conversion to CO. In this study, we test the flexibility of a plasma−sorbent system in a single unit, specifically for sorption-enhanced dry reforming of methane (DRM). The experimental results indicate the selective adsorption of CO2 by the sorbent zeolite 5A in the first step, and CH4 addition during the plasma-based desorption of CO2 enables DRM to various value-added products in the second step, such as H2, CO, hydrocarbons, and the byproduct H2O. Furthermore, our work also demonstrates that zeolite has the potential to increase the conversion of CO2 and CH4, attributed to its capability to capture H2O. Aside from the notable carbon deposition, material analysis shows that the zeolite remains relatively stable under plasma exposure. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2024-07-22 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2168-0485 | ISBN | Additional Links | ||
| Impact Factor | 8.4 | Times cited | Open Access | ||
| Notes | Fonds Wetenschappelijk Onderzoek, 110221N V404823N ; H2020 European Research Council, 810182 ; | Approved | Most recent IF: 8.4; 2024 IF: 5.951 | ||
| Call Number | PLASMANT @ plasmant @ | Serial | 9264 | ||
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| Author | Albrechts, M.; Tsonev, I.; Bogaerts, A. | ||||
| Title | Can post-plasma CH4injection improve plasma-based dry reforming of methane? A modeling study | Type | A1 Journal Article | ||
| Year |
2024 | Publication | Green Chemistry | Abbreviated Journal | Green Chem. |
| Volume | 26 | Issue | 18 | Pages | 9712-9728 |
| Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | Thermal plasma-driven dry reforming of methane (DRM) has gained increased attention in recent years due to its high conversion and energy conversion efficiency (ECE). Recent experimental work investigated the performance of a pure CO<sub>2</sub>plasma with post-plasma CH<sub>4</sub>injection. The rationale behind this strategy is that by utilizing a pure CO<sub>2</sub>plasma, all plasma energy can be used to dissociate CO<sub>2</sub>, while CH<sub>4</sub>reforming proceeds post-plasma in the reforming reactor with residual heat, potentially improving the energy efficiency compared to injecting both CO<sub>2</sub>and CH<sub>4</sub>into the plasma. To assess whether post-plasma CH<sub>4</sub>injection indeed improves the DRM performance, we developed a chemical kinetics model describing the post-plasma conversion process. We first validated our model by reproducing the experimental results of the pure CO<sub>2</sub>plasma with post-plasma CH<sub>4</sub>injection. Subsequently, we compared both strategies: injecting only CO<sub>2</sub>inside the plasma while injecting CH<sub>4</sub>post-plasma,<italic>vs.</italic>classical plasma-based DRM. Our modeling results indicate that below specific energy inputs (SEI) of 220 kJ mol<sup>−1</sup>, the total conversion slightly improves (<italic>ca.</italic>5%) with the first strategy. However, the ECE is slightly lower due to the low H<sub>2</sub>selectivity caused by substantial H<sub>2</sub>O formation. The highest conversion and ECE are obtained at SEI values of 240–280 kJ mol<sup>−1</sup>, where both strategies yield nearly identical results, indicating the limited potential of improving the performance of DRM by pure CO<sub>2</sub>plasma with post-plasma CH<sub>4</sub>injection. Nevertheless, the approach is still very valuable to allow higher CH<sub>4</sub>/CO<sub>2</sub>ratios without problems of coke formation within the plasma, and thus, to improve plasma stability and reach higher syngas ratios, which is more useful for further Fischer–Tropsch or methanol synthesis. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2024-08-24 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1463-9262 | ISBN | Additional Links | ||
| Impact Factor | 9.8 | Times cited | Open Access | ||
| Notes | HORIZON EUROPE Framework Programme, 101069491 ; | Approved | Most recent IF: 9.8; 2024 IF: 9.125 | ||
| Call Number | PLASMANT @ plasmant @ | Serial | 9265 | ||
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| Author | Sun, J.; Chen, Q.; Qin, W.; Wu, H.; Liu, B.; Li, S.; Bogaerts, A. | ||||
| Title | Plasma-catalytic dry reforming of CH4: Effects of plasma-generated species on the surface chemistry | Type | A1 Journal Article | ||
| Year |
2024 | Publication | Chemical Engineering Journal | Abbreviated Journal | Chemical Engineering Journal |
| Volume | 498 | Issue | Pages | 155847 | |
| Keywords | A1 Journal Article; Dry reforming of methane Plasma catalysis Plasma-enhanced surface chemistry Path flux and sensitivity analysis Coking kinetics; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | By means of steady-state experiments and a global model, we studied the effects of plasma-generated reactive species on the surface chemistry and coking in plasma-catalytic CH4/CO2 reforming at reduced pressure (8–40 kPa). We used a hybrid ZDPlasKin-CHEMKIN model to predict the species densities over time. The detailed plasma-catalytic mechanism consists of the plasma discharge scheme, a gas-phase chemistry set and a surface mechanism. Our experimental results show that the coupling of Ni/SiO2 catalyst with plasma is more effective in CH4/CO2 activation and conversion than unpacked DBD plasma, with syngas being the main products. The highest total conversion of 16 % was achieved at 8000 V and 473 K, with corresponding CO and H2 yields of 15 % and 12 %, respectively. The reactants conversion and product selectivity are well captured by the kinetic model. Our simulation results suggest that vibrational species and radicals can accelerate the dissociative adsorption and Eley-Rideal (E-R) reactions. Path flux analysis shows that E-R reactions dominate the surface reaction pathways, which differs from thermal catalysis, indicating that the coupling of non-equilibrium plasma and catalysis can effectively shift the formation and consumption pathways of important adsorbates. For instance, our model suggests that HCOO(s) is primarily generated through the E-R reaction CO2(v) + H(s) → HCOO(s), while the hydrogenation reaction HCOO(s) + H → HCOOH(s) is the main source of HCOOH(s). Carbon deposition on the catalyst surface is primarily formed through the stepwise dehydrogenation of CH4, while the E-R reactions enhanced by plasma-generated H and O atoms dominate the consumption of carbon deposition. This work provides new insights into the effects of reactive species on the surface chemistry in plasma-catalytic CH4/CO2 reforming. |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2024-09-17 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1385-8947 | ISBN | Additional Links | ||
| Impact Factor | 15.1 | Times cited | Open Access | ||
| Notes | National Natural Science Foundation of China; | Approved | Most recent IF: 15.1; 2024 IF: 6.216 | ||
| Call Number | PLASMANT @ plasmant @ | Serial | 9266 | ||
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| Author | Fedirchyk, I.; Tsonev, I.; Quiroz Marnef, R.; Bogaerts, A. | ||||
| Title | Plasma-assisted NH3 cracking in warm plasma reactors for green H2 production | Type | A1 Journal Article | ||
| Year |
2024 | Publication | Chemical Engineering Journal | Abbreviated Journal | Chemical Engineering Journal |
| Volume | 499 | Issue | Pages | 155946 | |
| Keywords | A1 Journal Article; Plasma-assisted NH3 cracking Plasma reactors Warm plasma H2 production from NH3; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | renewable energy. Plasma technology is promising for this purpose, as it can crack NH3 without the need for a catalyst and is highly compatible with renewable electricity, reducing the environmental footprint of the cracking process. This work investigates the NH3 cracking performance of four different warm plasma reactors with different configurations and operating in a wide range of conditions. We show that the NH3 conversion in warm plasma reactors is primarily determined by the specific energy input, with the main difference observed in the energy cost (EC) of cracking. The lowest EC obtained is 146 kJ/mol but at a conversion of only 8 %. A more reasonable conversion of around 50 % yields an EC of around 200 kJ/mol in two of the reactors investigated. Plasma reactors operating at higher feed flow rates are more efficient and yield a higher H2 production rate. Our data indicate that NH3 cracking in these warm plasma reactors occurs mainly via thermal chemistry, with nonthermal plasma chemistry playing a less prominent role. NH3 decomposes not only inside the plasma core but also in a hot volume around it, which reduces the EC. Our study shows that warm plasmas are significantly more efficient for NH3 cracking than cold plasmas, even when the latter are combined with catalysts. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2024-09-19 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1385-8947 | ISBN | Additional Links | ||
| Impact Factor | 15.1 | Times cited | Open Access | ||
| Notes | Belgian Federal Government; European Commission Marie Sklodowska-Curie Actions; | Approved | Most recent IF: 15.1; 2024 IF: 6.216 | ||
| Call Number | PLASMANT @ plasmant @ | Serial | 9267 | ||
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| Author | Gholam, S.; Hadermann, J. | ||||
| Title | The effect of the acceleration voltage on the quality of structure determination by 3D-electron diffraction | Type | A1 Journal Article | ||
| Year |
2024 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | 266 | Issue | Pages | 114022 | |
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | Nowadays, 3D Electron Diffraction (3DED) is widely used for the structure determination of sub-micron-sized particles. In this work, we investigate the influence of the acceleration voltage on the quality of 3DED datasets acquired on BaTiO3 nanoparticles. Datasets were acquired using a wide range of beam energies, from common, high acceleration voltages (300 kV and 200 kV) to medium (120 kV and 80 kV) and low acceleration voltages (60 kV and 30 kV). In the integration process, Rint increases as the beam energy reduces, which is mainly due to the increased dynamical scattering. Nevertheless, the structure was solved successfully in all cases. The structure refinement was comparable for all beam energies with small deficiencies such as negative atomic displacements for the heaviest atom in the structure, barium. Including extinction correction in the refinement noticeably improved the model for low acceleration voltages, probably due to higher beam absorption in these cases. Dynamical refinement, however, shows superior results for higher acceleration voltages, since the dynamical refinement calculations currently discard inelastic scattering effects. | ||||
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| Language | Wos | https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001297 | Publication Date | 2024-08-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0304-3991 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 2.2 | Times cited | Open Access | ||
| Notes | The authors acknowledge funding from the Research Foundation Flanders (FWO, Belgium) project SBO S000121N. The authors are also grateful to Dr. Armand Béché and Dr. Lars Riekehr for their technical support and to Prof. Lukáš Palatinus, Dr. Stefano Canossa, Dr. Maria Batuk and Amirhossein Hajizadeh for fruitful discussions. | Approved | Most recent IF: 2.2; 2024 IF: 2.843 | ||
| Call Number | EMAT @ emat @c:irua:208540 | Serial | 9268 | ||
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| Author | Stoops, T.; De Backer, A.; Lobato, I.; Van Aert, S. | ||||
| Title | Obtaining 3D Atomic Reconstructions from Electron Microscopy Images Using a Bayesian Genetic Algorithm: Possibilities, Insights, and Limitations | Type | A1 Journal Article | ||
| Year |
2024 | Publication | Microscopy and Microanalysis | Abbreviated Journal | |
| Volume | Issue | Pages | |||
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | The Bayesian genetic algorithm (BGA) is a powerful tool to reconstruct the 3D structure of mono-atomic single-crystalline metallic nanoparticles imaged using annular dark field scanning transmission electron microscopy. The number of atoms in a projected atomic column in the image is used as input to obtain an accurate and atomically precise reconstruction of the nanoparticle, taking prior knowledge and the finite precision of atom counting into account. However, as the number of parameters required to describe a nanoparticle with atomic detail rises quickly with the size of the studied particle, the computational costs of the BGA rise to prohibitively expensive levels. In this study, we investigate these computational costs and propose methods and control parameters for efficient application of the algorithm to nanoparticles of at least up to 10 nm in size. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2024-10-02 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1431-9276 | ISBN | Additional Links | ||
| Impact Factor | 2.8 | Times cited | Open Access | ||
| Notes | European Research Council, 770887 ; Research Foundation Flanders, G034621N G0A7723N 40007495 ; FWO and F.R.S-FNRS; Flemish Government; | Approved | Most recent IF: 2.8; 2024 IF: 1.891 | ||
| Call Number | EMAT @ emat @ | Serial | 9270 | ||
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| Author | Poppe, R.; Hadermann, J. | ||||
| Title | Optimization of three-dimensional electron diffuse scattering data acquisition | Type | A1 Journal Article | ||
| Year |
2024 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | 265 | Issue | Pages | 114023 | |
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | The diffraction patterns of crystalline materials with local order contain sharp Bragg reflections as well as highly structured diffuse scattering. In this study, we quantitatively show how the diffuse scattering in three-dimensional electron diffraction (3D ED) data is influenced by various parameters, including the data acquisition mode, the detector type and the use of an energy filter. We found that diffuse scattering data used for quantitative analysis are preferably acquired in selected area electron diffraction (SAED) mode using a CCD and an energy filter. In this study, we also show that the diffuse scattering in 3D ED data can be obtained with a quality comparable to that from single-crystal X-ray diffraction. As electron diffraction requires much smaller crystal sizes than X-ray diffraction, this opens up the possibility to investigate the local structure of many technologically relevant materials for which no crystals large enough for single-crystal X-ray diffraction are available. | ||||
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| Language | Wos | https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001294 | Publication Date | 2024-08-03 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0304-3991 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 2.2 | Times cited | Open Access | ||
| Notes | The authors would like to thank Dr. Nikolaj Roth for fruitful discussions and Dr. Lukas Palatinus for providing an option to apply symmetry averaging in the three-dimensional reciprocal lattice in PETS2. The authors also acknowledge the Hercules fund ’Direct electron detector for soft matter TEM’ from Flemish Government for the purchase of the Merlin detector. | Approved | Most recent IF: 2.2; 2024 IF: 2.843 | ||
| Call Number | EMAT @ emat @c:irua:207457 | Serial | 9271 | ||
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