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Author |
Faraji, F.; Neek-Amal, M.; Neyts, E.C.; Peeters, F.M. |
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Title |
Indentation of graphene nano-bubbles |
Type |
A1 Journal article |
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Year  |
2022 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
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Volume |
14 |
Issue |
15 |
Pages |
5876-5883 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Molecular dynamics simulations are used to investigate the effect of an AFM tip when indenting graphene nano bubbles filled by a noble gas (i.e. He, Ne and Ar) up to the breaking point. The failure points resemble those of viral shells as described by the Foppl-von Karman (FvK) dimensionless number defined in the context of elasticity theory of thin shells. At room temperature, He gas inside the bubbles is found to be in the liquid state while Ne and Ar atoms are in the solid state although the pressure inside the nano bubble is below the melting pressure of the bulk. The trapped gases are under higher hydrostatic pressure at low temperatures than at room temperature. |
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Wos |
000776763000001 |
Publication Date |
2022-03-30 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
2040-3364; 2040-3372 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.7 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 6.7 |
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Call Number |
UA @ admin @ c:irua:187924 |
Serial |
7171 |
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Author |
Maes, R.R.; Potters, G.; Fransen, E.; Van Schaeren, R.; Lenaerts, S. |
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Title |
Influence of adding low concentration of oxygenates in mineral diesel oil and biodiesel on the concentration of NO, NO₂ and particulate matter in the exhaust gas of a one-cylinder diesel generator |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
International journal of environmental research and public health |
Abbreviated Journal |
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Volume |
19 |
Issue |
13 |
Pages |
7637-18 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Air quality currently poses a major risk to human health worldwide. Transportation is one of the principal contributors to air pollution due to the quality of exhaust gases. For example, the widely used diesel fuel is a significant source of nitrogen oxides (NOx) and particulate matter (PM). To reduce the content NOx and PM, different oxygenated compounds were mixed into a mineral diesel available at the pump, and their effect on the composition of exhaust gas emissions was measured using a one-cylinder diesel generator. In this setup, adding methanol gave the best relative results. The addition of 2000 ppm of methanol decreased the content of NO by 56%, 2000 ppm of isopropanol decreased NO2 by 50%, and 2000 ppm ethanol decreased PM by 63%. An interesting question is whether it is possible to reduce the impact of hazardous components in the exhaust gas even more by adding oxygenates to biodiesels. In this article, alcohol is added to biodiesel in order to establish the impact on PM and NOx concentrations in the exhaust gases. Adding methanol, ethanol, and isopropanol at concentrations of 2000 ppm and 4000 ppm did not improve NOx emissions. The best results were using pure RME for a low NO content, pure diesel for a low NO2 content, and for PM there were no statistically significant differences. |
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Wos |
000825645900001 |
Publication Date |
2022-06-23 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
1661-7827; 1660-4601 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:189476 |
Serial |
7172 |
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Author |
Oliveira, M.C. |
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Title |
Influence of phase-separated domains on the permeability of oxidized lipid membranes |
Type |
Doctoral thesis |
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Year |
2022 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
151 p. |
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Keywords |
Doctoral thesis; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Biological membranes are under constant attack of reactive oxygen and nitrogen species (RONS), which may lead to a complex mixture of nitro-oxidized lipids that are responsible for structural and dynamic changes on the membrane. Because of that, nitro-oxidized lipids are also associated with several tumors and inflammatory and neurodegenerative diseases. Moreover, lipid oxidation may induce membrane phase-separated domains, which also drastically affect the membrane function. Evidence suggests that domain interfaces are “hot spots” for pore formation, but the underlying mechanisms remain elusive. There is an urgent need for an improved understanding of oxidation-induced phase separation on membrane properties. Likewise, the molecular structure at domain interfaces still needs to be elucidated. To evaluate the effect of lipid nitro-oxidation on the permeability of single-phase (homogeneous) and phase-separated (heterogeneous) phospholipid bilayers (PLBs), we performed atomistic molecular dynamics (MD) simulations using: (1) single-phase PLBs composed of several isomers of nitrated and/or oxidized lipids; (2) phase-separated PLBs composed of coexisting liquid ordered (Lo) and liquid disordered (Ld) domains, where the Ld domain is composed of non-oxidized and/or oxidized lipids. Our results show that nitrated lipids increase the membrane permeability of single-phase PLBs by three-fold compared to oxidized lipids. In addition, we show that oxidized lipids in the presence of nitrated lipids decrease the membrane permeability, suggesting an interaction between nitrated and oxidized lipids. Overall, the permeability of single-phase and phase-separated PLBs was comparable, and the presence of oxidized lipids increases the membrane permeability only in single-phase PLBs. Despite the latter, the presence of only 1.5% of lipid aldehydes at the Lo/Ld domain interfaces of phase-separated PLBs was able to increase the membrane permeability. In consequence of this, we also performed coarse-grained MD simulations to evaluate whether lipid aldehydes have a preference to accumulate at the interface between Lo/Ld domains. Our results show that lipid aldehydes derived from mono-unsaturated lipids accumulate at the interface, but those derived from poly-unsaturated lipids remain in the Ld domain. This study is of interest for photodynamic therapy and plasma medicine for cancer treatment, to understand the effects caused by RONS in cell membranes. |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:191039 |
Serial |
7173 |
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Author |
Ngo, K.N.; Tampon, P.; Van Winckel, T.; Massoudieh, A.; Sturm, B.; Bott, C.; Wett, B.; Murthy, S.; Vlaeminck, S.E.; DeBarbadillo, C.; De Clippeleir, H. |
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Title |
Introducing bioflocculation boundaries in process control to enhance effluent quality of high‐rate contact‐stabilization systems |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Water environment research |
Abbreviated Journal |
Water Environ Res |
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Volume |
94 |
Issue |
8 |
Pages |
e10772-17 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
High-rate activated sludge (HRAS) systems suffer from high variability of effluent quality, clarifier performance, and carbon capture. This study proposed a novel control approach using bioflocculation boundaries for wasting control strategy to enhance effluent quality and stability while still meeting carbon capture goals. The bioflocculation boundaries were developed based on the oxygen uptake rate (OUR) ratio between contactor and stabilizer (feast/famine) in a high-rate contact stabilization (CS) system and this OUR ratio was used to manipulate the wasting setpoint. Increased oxidation of carbon or decreased wasting was applied when OUR ratio was <0.52 or >0.95 to overcome bioflocculation limitation and maintain effluent quality. When no bioflocculation limitations (OUR ratio within 0.52–0.95) were detected, carbon capture was maximized. The proposed control concept was shown for a fully automated OUR-based control system as well as for a simplified version based on direct waste flow control. For both cases, significant improvements in effluent suspended solids level and stability (<50-mg TSS/L), solids capture over the clarifier (>90%), and COD capture (median of 32%) were achieved. This study shows how one can overcome the process instability of current HRAS systems and provide a path to achieve more reliable outcomes. |
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Wos |
000840360100001 |
Publication Date |
2022-07-23 |
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Abbreviated Series Title |
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Series Volume |
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ISSN |
1061-4303; 1554-7531 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.1 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.1 |
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Call Number |
UA @ admin @ c:irua:189409 |
Serial |
7174 |
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Author |
Mirzakhani, M.; da Costa, D.R.; Peeters, F.M. |
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Title |
Isolated and hybrid bilayer graphene quantum rings |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
105 |
Issue |
11 |
Pages |
115430-11 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using the continuum model, we investigate the electronic properties of two types of bilayer graphene (BLG) quantum ring (QR) geometries: (i) An isolated BLG QR and (ii) a monolayer graphene (MLG) with a QR put on top of an infinite graphene sheet (hybrid BLG QR). Solving the Dirac-Weyl equation in the presence of a perpendicular magnetic field and applying the infinite mass boundary condition at the ring boundaries, we obtain analytical results for the energy levels and corresponding wave spinors for both structures. In the case of isolated BLG QR, we observe a sizable and magnetically tunable band gap which agrees with the tight-binding transport simulations. Our analytical results also show the intervalley symmetry EeK (m) = ???EK??? h (m) between the electron (e) and the hole (h) states (m is the angular momentum quantum number) for the energy spectrum of the isolated BLG QR. The presence of interface boundary in a hybrid BLG QR modifies drastically the energy levels as compared with that of an isolated BLG QR. Its energy levels are tunable from MLG dot to isolated BLG QR and to MLG Landau energy levels as the magnetic field is varied. Our predictions can be verified experimentally using different techniques such as by magnetotransport measurements. |
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Wos |
000801209300006 |
Publication Date |
2022-03-28 |
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Abbreviated Series Title |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.7 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.7 |
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Call Number |
UA @ admin @ c:irua:188703 |
Serial |
7175 |
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Author |
Hao, Y. |
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Title |
A joint experimental-modeling study of the structure and properties of functional molecular monolayers for the control of organic crystal growth |
Type |
Doctoral thesis |
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Year |
2022 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
xiii, 174 p. |
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Keywords |
Doctoral thesis; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Among all types of discovered crystals, those formed by organic molecules show the greatest diversity, which results from the intrinsic complexity of the organic molecules and the weak interactions between them. Even for a given compound, different crystal structures can exist. This feature is referred to as polymorphism in the modern crystallographic context and those different crystal forms are called polymorphs. In reality, the crystallization of organic molecules is often performed at the surface of a substrate, giving rise to heterogeneous crystallization. Except for the well-known catalyzing effects, the existence of substrates brings more possibilities to the polymorphic behaviors of organic molecules, promoting the formation of new polymorphs that are only stable in the vicinity of the substrates. For this reason, these new polymorphic forms are often described as substrate-induced polymorphs (SIPs). It is of great importance to understand the formation of SIPs for organic molecules as it has been reported that SIPs can show superior properties with respect to their bulk form counterparts. Up to now, most studies focus on the identifying and characterizing the presence of SIPs, which relies mainly on X-ray diffraction techniques. However, a detailed explanation about the origin of SIPs is still missing. In this work, we have combined several powerful experimental characterization techniques, including X-ray diffraction, transmission electron microscopy (TEM) and scanning tunneling microscopy (STM) in order to reach an integrated view over the formation of SIPs. These experimental studies are strongly supported by computational chemistry simulations, such as density functional theory and molecular dynamics. A big advantage of using atomistic simulations is that it enables the possibility to predict a priori the crystal structures of SIPs and to establish a posteriori the general rules for the formation of SIPs. In practice, this thesis employs state-of-art atomistic simulation approaches in order to bridge substrate-induced polymorphism with a conceptually-connected research area: the self-assembly of molecular networks (SAMNs), also called 2D crystallization. Unlike SIPs, which extend at least several molecular layers, SAMNs are composed of a single layer of molecules with ordered packing. Our simulations have enabled a more comprehensive understanding about the role of substrate during the formation of SIPs and we elucidate how the positional and orientational order of molecules propagates from the substrate to the upper 2D and even 3D crystal layers. In this way, a fundamental understanding of the substrate-induced crystallization is gained by connecting 2D and 3D crystallization using substrate-induced approaches. |
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UA library record |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:191758 |
Serial |
7176 |
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Author |
Loomba, V.; Pourfallah, H.; Olsen, J.E.; Einarsrud, K.E. |
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Title |
Lab-scale physical model experiments to understand the effect of particle bed on tapping flow rates |
Type |
P1 Proceeding |
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Year |
2022 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
159-170 |
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Keywords |
P1 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Publication Date |
2022-02-03 |
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ISSN |
978-3-030-92543-7; 2367-1181; 2367-1696; 978-3-030-92546-8; 978-3-030-92544-4 |
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Additional Links |
UA library record |
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Open Access |
Not_Open_Access |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:186090 |
Serial |
7177 |
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Author |
Gielis, J.; Grigolia, R. |
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Title |
Lamé curves and Rvachev's R-functions |
Type |
A3 Journal article |
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Year |
2022 |
Publication |
Sn – 1512-0066 |
Abbreviated Journal |
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Volume |
37 |
Issue |
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Pages |
1-4 |
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Keywords |
A3 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Gielis transformations are a generalization of Lame curves. To combine domains, we can make use of the natural alliance between Lame's work and Rvachev's R-functions. A logical next step is the extension to n-valued logic dening dierent partitions. |
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UA library record |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:189316 |
Serial |
7178 |
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Author |
Moura, V.N.; Dantas, D.S.; Farias, G.A.; Chaves, A.; Milošević, M.V. |
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Title |
Latent superconductivity at parallel interfaces in a superlattice dominated by another collective quantum phase |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
106 |
Issue |
1 |
Pages |
014516-10 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We theoretically examine behavior of superconductivity at parallel interfaces separating the domains of another dominant collective excitation, such as charge density waves or spin density waves. Due to their competitive coupling in a two-component Ginzburg-Landau model, suppression of the dominant order parameter at the interfacial planes allows for nucleation of the (hidden) superconducting order parameter at those planes. In such a case, we demonstrate how the number of the parallel interfacial planes and the distance between them are linked to the number and the size of the emerging superconducting gaps in the system, as well as the versatility and temperature evolution of the possible superconducting phases. These findings bear relevance to a broad selection of known layered superconducting materials, as well as to further design of artificial (e.g., oxide) superlattices, where the interplay between competing order parameters paves the way towards otherwise unattainable superconducting states, some with enhanced superconducting critical temperature. |
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000834346000004 |
Publication Date |
2022-07-22 |
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Abbreviated Series Title |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.7 |
Times cited |
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Open Access |
OpenAccess |
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Approved |
Most recent IF: 3.7 |
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Call Number |
UA @ admin @ c:irua:189520 |
Serial |
7179 |
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Author |
Vanderveken, F.; Tyberkevych, V.; Talmelli, G.; Sorée, B.; Ciubotaru, F.; Adelmann, C. |
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Title |
Lumped circuit model for inductive antenna spin-wave transducers |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
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Volume |
12 |
Issue |
1 |
Pages |
3796-13 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We derive a lumped circuit model for inductive antenna spin-wave transducers in the vicinity of a ferromagnetic medium. The model considers the antenna's Ohmic resistance, its inductance, as well as the additional inductance due to the excitation of ferromagnetic resonance or spin waves in the ferromagnetic medium. As an example, the additional inductance is discussed for a wire antenna on top of a ferromagnetic waveguide, a structure that is characteristic for many magnonic devices and experiments. The model is used to assess the scaling properties and the energy efficiency of inductive antennas. Issues related to scaling antenna transducers to the nanoscale and possible solutions are also addressed. |
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000826474600050 |
Publication Date |
2022-03-08 |
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Edition |
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ISSN |
2045-2322 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.6 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.6 |
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Call Number |
UA @ admin @ c:irua:190001 |
Serial |
7180 |
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Author |
Frolov, A.S.; Callaert, C.; Batuk, M.; Hadermann, J.; Volykhov, A.A.; Sirotina, A.P.; Amati, M.; Gregoratti, L.; Yashina, L.V. |
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Title |
Nanoscale phase separation in the oxide layer at GeTe (111) surfaces |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
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Volume |
14 |
Issue |
35 |
Pages |
12918-12927 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
As a semiconductor ferroelectric, GeTe has become a focus of renewed attention due to the recent discovery of giant Rashba splitting. It already has a wide range of applications, from thermoelectricity to data storage. Its stability in ambient air, as well as the structure and properties of an oxide layer, define the processing media for device production and operation. Here, we studied a reaction between the GeTe (111) surface and molecular oxygen for crystals having solely inversion domains. We evaluated the reaction kinetics both ex situ and in situ using NAP XPS. The structure of the oxide layer is extensively discussed, where, according to HAADF-STEM and STEM-EDX, nanoscale phase separation of GeO2 and Te is observed, which is unusual for semiconductors. We believe that such behaviour is closely related to the ferroelectric properties and the domain structure of GeTe. |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000847743300001 |
Publication Date |
2022-08-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2040-3364; 2040-3372 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
6.7 |
Times cited |
|
Open Access |
Not_Open_Access |
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| |
Notes |
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Approved |
Most recent IF: 6.7 |
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| |
Call Number |
UA @ admin @ c:irua:190665 |
Serial |
7181 |
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| Permanent link to this record |
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Author |
Faust, V.; Gruber, W.; Ganigue, R.; Vlaeminck, S.E.; Udert, K.M. |
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Title |
Nitrous oxide emissions and carbon footprint of decentralized urine fertilizer production by nitrification and distillation |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
ACS ES&T engineering |
Abbreviated Journal |
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| |
Volume |
2 |
Issue |
9 |
Pages |
1745-1755 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Combining partial nitrification, granular activated carbon (GAC) filtration, and distillation is a well-studied approach to convert urine into a fertilizer. To evaluate the environmental sustainability of a technology, the operational carbon footprint and therefore nitrous oxide (N2O) emissions should be known, but N2O emissions from urine nitrification have not been assessed yet. Therefore, N2O emissions of a decentralized urine nitrification reactor were monitored for 1 month. During nitrification, 0.4-1.2% of the total nitrogen load was emitted as N2O-N with an average N2O emission factor (EFN2O) of 0.7%. Additional N2O was produced during anoxic storage between nitrification and GAC filtration with an estimated EFN2O of 0.8%, resulting in an EFN2O of 1.5% for the treatment chain. N2O emissions during nitrification can be mitigated by 60% by avoiding low dissolved oxygen or anoxic conditions and nitrite concentrations above 5 mg-N L-1. Minimizing the hydraulic retention time between nitrification and GAC filtration can reduce N2O formation during intermediate storage by 100%. Overall, the N2O emissions accounted for 45% of the operational carbon footprint of 14 kg-CO2,equiv kg-N-1 for urine fertilizer production. Using electricity from renewable sources and applying the proposed N2O mitigation strategies could potentially lower the carbon footprint by 85%. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000835412700001 |
Publication Date |
2022-07-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
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| |
Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:189599 |
Serial |
7182 |
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| Permanent link to this record |
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Author |
Vanmeert, F.; De Meyer, S.; Gestels, A.; Clerici, E.A.; Deleu, N.; Legrand, S.; Van Espen, P.; Van der Snickt, G.; Alfeld, M.; Dik, J.; Monico, L.; De Nolf, W.; Cotte, M.; Gonzalez, V.; Saverwyns, S.; Depuydt-Elbaum, L.; Janssens, K. |
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Title |
Non-invasive and non-destructive examination of artists’ pigments, paints and paintings by means of X-ray imaging methods |
Type |
H1 Book chapter |
| |
Year |
2022 |
Publication |
|
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
317-357 |
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| |
Keywords |
H1 Book chapter; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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Abstract |
Recent studies in which X-ray beams of (sub)micrometre to millimetre dimensions have been used for non-destructive analysis and characterization of pigments, minute paint samples and/or entire paintings from fifteenth to twentieth century artists are discussed. The overview presented encompasses the use of laboratory and synchrotron radiation-based instrumentation and deals with the use of several variants of X-ray fluorescence (XRF) as a method of elemental analysis and imaging as well as with the combined use with X-ray diffraction (XRD). Microscopic XRF (μ-XRF) is a variant of the XRF method able to visualize the elemental distribution of key elements, mostly metals, on the scale from 1 μm to 100 μm present inside multi-layered micro samples taken from paintings. In the context of the characterization of artists’ pigments subjected to natural degradation, in many cases the use of methods limited to elemental analysis or imaging does not suffice to elucidate the chemical transformations that have taken place. However, at synchrotron facilities, combinations of μ-XRF with related methods such as μ-XAS (microscopic X-ray absorption spectroscopy) and μ-XRD have proven themselves to be very suitable for such studies. Since microscopic investigation of a relatively limited number of minute paint samples may not yield representative information about the complete artefact they were taken from, several methods for macroscopic, non-invasive imaging have recently been developed. Combined macroscopic XRF/XRD scanning is able to provide a fairly complete overview of the inorganic pigments employed to create a work of art, to answer questions about ongoing degradation phenomena and about its authenticity. As such these newly developed non-invasive and highly specific imaging methods are of interest for many cultural heritage stakeholders. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
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Publication Date |
2022-09-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
|
ISBN |
978-3-030-86864-2 |
Additional Links |
UA library record |
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Impact Factor |
|
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:190777 |
Serial |
7183 |
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| Permanent link to this record |
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Author |
Marchetti, A.; Beltran, V.; Nuyts, G.; Borondics, F.; De Meyer, S.; Van Bos, M.; Jaroszewicz, J.; Otten, E.; Debulpaep, M.; De Wael, K. |
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Title |
Novel optical photothermal infrared (O-PTIR) spectroscopy for the noninvasive characterization of heritage glass-metal objects |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Science Advances |
Abbreviated Journal |
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| |
Volume |
8 |
Issue |
9 |
Pages |
eabl6769-9 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab); Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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Abstract |
Optical photothermal infrared (O-PTIR) is a recently developed molecular spectroscopy technique that allows to noninvasively obtain chemical information on organic and inorganic samples at a submicrometric scale. The high spatial resolution (approximate to 450 nm), lack of sample preparation, and comparability of the spectral results to traditional Fourier transform infrared spectroscopy make it a promising candidate for the analysis of cultural heritage. In this work, the potential of O-PTIR for the noninvasive characterization of small heritage objects (few cubic centimeters) is demonstrated on a series of degraded 16th century brass and glass decorative elements. These small and challenging samples, typically encountering limitations with existing noninvasive methods such as macroscopic x-ray powder diffraction and mu Raman, were successfully characterized by O-PTIR, ultimately identifying the markers of glass-induced metal corrosion processes. The results clearly demonstrate how O-PTIR can be easily implemented in a noninvasive multianalytical strategy for the study of heritage materials, making it a fundamental tool for cultural heritage analyses. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000790020300013 |
Publication Date |
2022-03-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2375-2548 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
13.6 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 13.6 |
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Call Number |
UA @ admin @ c:irua:188642 |
Serial |
7184 |
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| Permanent link to this record |
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Author |
Van Turnhout, J.; Aceto, D.; Travert, A.; Bazin, P.; Thibault-Starzyk, F.; Bogaerts, A.; Azzolina-Jury, F. |
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Title |
Observation of surface species in plasma-catalytic dry reforming of methane in a novel atmospheric pressure dielectric barrier discharge in situ IR cell |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Catalysis Science & Technology |
Abbreviated Journal |
Catal Sci Technol |
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Volume |
12 |
Issue |
22 |
Pages |
6676-6686 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We developed a novel in situ (i.e. inside plasma and during operation) IR dielectric barrier discharge cell allowing investigation of plasma catalysis in transmission mode, atmospheric pressure, flow conditions (WHSV similar to 0-50 000 mL g(-1) h(-1)), at relevant discharge voltages (similar to 0-50 kV) and frequencies (similar to 0-5 kHz). We applied it to study the IR-active surface species formed on a SiO2 support and on a 3 wt% Ru/SiO2 catalyst, which can help to reveal the important surface reaction mechanisms during the plasma-catalytic dry reforming of methane (DRM). Moreover, we present a technique for the challenging task of estimating the temperature of a catalyst sample in a plasma-catalytic system in situ and during plasma operation. We found that during the reaction, water is immediately formed at the SiO2 surface, and physisorbed formic acid is formed with a delay. As Ru/SiO2 is subject to greater plasma-induced heating than SiO2 (with a surface temperature increase in the range of 70-120 degrees C, with peaks up to 150 degrees C), we observe lower amounts of physisorbed water on Ru/SiO2, and less physisorbed formic acid formation. Importantly, the formation of surface species on the catalyst sample in our plasma-catalytic setup, as well as the observed conversions and selectivities in plasma conditions, can not be explained by plasma-induced heating of the catalyst surface, but must be attributed to other plasma effects, such as the adsorption of plasma-generated radicals and molecules, or the occurrence of Eley-Rideal reactions. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000865542600001 |
Publication Date |
2022-10-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2044-4753; 2044-4761 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 5 |
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Call Number |
UA @ admin @ c:irua:191389 |
Serial |
7185 |
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| Permanent link to this record |
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Author |
Idrissi, H.; Béché, A.; Gauquelin, N.; Ul-Haq, I.; Bollinger, C.; Demouchy, S.; Verbeeck, J.; Pardoen, T.; Schryvers, D.; Cordier, P. |
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Title |
On the formation mechanisms of intragranular shear bands in olivine by stress-induced amorphization |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
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Volume |
239 |
Issue |
|
Pages |
118247-118249 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Intragranular amorphization shear lamellae are found in deformed olivine aggregates. The detailed trans-mission electron microscopy analysis of intragranular lamella arrested in the core of a grain provides novel information on the amorphization mechanism. The deformation field is complex and heteroge-neous, corresponding to a shear crack type instability involving mode I, II and III loading components. The formation and propagation of the amorphous lamella is accompanied by the formation of crystal defects ahead of the tip. These defects are geometrically necessary [001] dislocations, characteristics of high-stress deformation in olivine, and rotational nanodomains which are tentatively interpreted as disclinations. We show that these defects play an important role in dictating the path followed by the amorphous lamella. Stress-induced amorphization in olivine would thus result from a direct crystal-to -amorphous transformation associated with a shear instability and not from a mechanical destabilization due to the accumulation of high number of defects from an intense preliminary deformation. The pref-erential alignment of some lamellae along (010) is a proof of the lower ultimate mechanical strength of these planes.(c) 2022 The Authors. Published by Elsevier Ltd on behalf of Acta Materialia Inc. This is an open access article under the CC BY license ( http://creativecommons.org/licenses/by/4.0/ ) |
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Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Language |
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Wos |
000861076600004 |
Publication Date |
2022-08-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1359-6454 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.4 |
Times cited |
5 |
Open Access |
OpenAccess |
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Notes |
The QuanTEM microscope was partially funded by the Flemish government. The K2 camera was funded by FWO Hercules fund G0H4316N 'Direct electron detector for soft matter TEM'. A. Beche acknowledges funding from FWO project G093417N ('Compressed sensing enabling low dose imaging in transmission electron microscopy'). H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). This work was supported by the FNRS under Grant PDR – T011322F and by the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme under grant agreement No 787,198 Time Man. J-L Rouviere is acknowledged for his support with the GPA softawre. |
Approved |
Most recent IF: 9.4 |
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Call Number |
UA @ admin @ c:irua:191432 |
Serial |
7186 |
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| Permanent link to this record |
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Author |
Ysebaert, T.; Samson, R.; Denys, S. |
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Title |
Parameterisation of the drag effect of climbers depending on wind speed and LAD |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Sustainable Cities and Society |
Abbreviated Journal |
Sustain Cities Soc |
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Volume |
84 |
Issue |
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Pages |
103979-12 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The implementation of green walls is increasingly seen as a strategy to tackle urban air pollution and to make cities more climate resilient. The correct description of the vegetation-wind interaction is key in describing the effect of vegetation in computational fluid dynamics (CFD) models. The accuracy of the modelled wind flow is highly linked to the uncertainty about the drag coefficient (C-d). In addition, at low wind speeds viscous drag (K) is not negligible and it should be regarded in CFD models. This research aims to address the uncertainty related to C-d and K by including the effect of climbers on both the momentum and turbulence equations in the Wilcox revised k-omega model. The change of K with increasing Reynolds number showed an increase from 5.10(-8 )m(2) up to the dynamic viscosity of air (asymptotic to 10(-5) m(2)) following a logistic function. Beyond the transition region from viscous to form drag, C-d, in the range of 0.1-1.1, declined with increasing Reynolds number following a power law function. Furthermore, the plant morphological parameters determining permeability and drag coefficient were identified. This study showed that the knowledge of viscous and shape resistance is necessary to obtain accurate statistics for air flow through vegetation. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000831685500001 |
Publication Date |
2022-06-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2210-6707 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.7 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 11.7 |
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Call Number |
UA @ admin @ c:irua:189465 |
Serial |
7187 |
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| Permanent link to this record |
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Author |
Borah, R. |
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Title |
Photoactive nanostructures : from single plasmonic nanoparticles to self-assembled films |
Type |
Doctoral thesis |
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Year |
2022 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
xxxiv, 220 p. |
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Keywords |
Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Photoactive nanoparticles and their light-driven applications have gained tremendous scientific attention towards remediation of the global environmental problems, meeting alternative energy demands, and other new technological discoveries. The research work presented in this dissertation includes a fundamental investigation of such nanoparticles to gain deeper insights that will ultimately benefit their application. In particular, the study of plasmonic metal nanoparticles and metal oxide nanoparticles for light driven applications is the major theme of this work. The investigation begins with isolated plasmonic Au and Ag nanoparticles, followed by a natural extension to nanoparticle clusters, and then further to nanoparticle films. Next, the application of such plasmonic nanoparticle films for gaseous phase sensing of volatile organic compounds is explored. Finally, the film formation of metal-oxide nanoparticles by self-assembly is investigated for the fabrication of photoactive functional interfaces. The fundamental theoretical investigation of the isolated plasmonic nanoparticles encompasses alloy and core-shell nanostructures of Au-Ag bimetallic compositions. First, the optical properties of bimetallic alloy and core-shell nanoparticles are compared for different structures such as nanospheres, nanotriangles and nanorods. Based on the optical properties, the photothermal properties of these nanostructures are also evaluated for relevant light-driven applications. Further, to bridge the gap between the theoretical and experimental optical properties of colloidal plasmonic nanoparticles, the effect of different statistical parameters pertaining to the particle size distribution is studied. Going from isolated nanoparticles to nanoparticle clusters, the changes in the optical properties of plasmonic nanoparticles when they form finite clusters is investigated. A strong effect of clustering on the absorption intensities of the nanoparticles and hence, on the photothermal properties is found. Next, for the study of plasmonic nanoparticle infinite arrays, Au and Ag nanoparticles films are experimentally obtained by the self-assembly at the air-ethylene glycol interface. Upon further validation of the computational models with the experimental optical properties of these films, the near-field and far-field optical response of the plasmonic nanoparticle arrays is investigated. An application of the self-assembled Au nanoparticle film is then demonstrated in the sensing of volatile organic compounds (VOCs). Finally, the focus is shifted from plasmonic nanoparticles to metal oxide nanoparticles for their self-assembly at the air-water interface to obtain self-assembled films. For this, the hydrophobic functionalization of four metal oxides nanoparticles namely, TiO2, ZnO, WO3 and CuO is investigated. The insights from this work is useful for the design and fabrication of functional nanoparticles and interfaces for light driven applications. |
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Wos |
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Series Editor |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:189155 |
Serial |
7188 |
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| Permanent link to this record |
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Author |
Van Hal, M.; Lenaerts, S.; Verbruggen, S.W. |
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Title |
Photocatalytic soot degradation under UV and visible light |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Environmental Science and Pollution Research |
Abbreviated Journal |
Environ Sci Pollut R |
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Volume |
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Issue |
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Pages |
1-11 |
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Keywords |
A1 Journal article; Engineering sciences. Technology |
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Abstract |
Particulate matter is one of the most persistent global air pollutants that is causing health problems, climate disturbance and building deterioration. A sustainable technique that is able to degrade soot using (sun)light is photocatalysis. Currently, research on photocatalytic soot oxidation focusses on large band gap TiO2-based photocatalysts and thus requires the use of UV light. It would prove useful if visible light, and thus a larger fraction of the (freely available) solar spectrum, could additionally be utilised to drive this process. In this work, a visible light-active photocatalyst, WO3, is benchmarked to TiO2 under both UV and visible light. At the same time, the versatility and drastic improvement of a recently introduced digital image-based soot degradation detection method are demonstrated. An additional step correcting for non-soot related catalyst colour changes is applied, resulting in accurate detection and quantification of soot degradation for all studied photocatalysts, even for materials such as WO3 that are inherently coloured. With this study, we aim to broaden the scope of photocatalytic soot oxidation technology to visible light-active photocatalyst. Along with this study, we provide a versatile soot degradation detection methodology based on digital image analysis that is made widely applicable. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000871854600010 |
Publication Date |
2022-10-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0944-1344; 1614-7499 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.8 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 5.8 |
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Call Number |
UA @ admin @ c:irua:191275 |
Serial |
7189 |
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| Permanent link to this record |
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Author |
Khan, S.U.; Trashin, S.; Beltran, V.; Korostei, Y.S.; Pelmus, M.; Gorun, S.M.; Dubinina, T., V.; Verbruggen, S.W.; De Wael, K. |
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Title |
Photoelectrochemical behavior of phthalocyanine-sensitized TiO₂ in the presence of electron-shuttling mediators |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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Volume |
94 |
Issue |
37 |
Pages |
12723-12731 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
Dye-sensitized TiO(2 )has found many applications for dye sensitized solar cells (DSSC), solar-to-chemical energy conversion, water/air purification systems, and (electro)chemical sensors. We report an electrochemical system for testing dye-sensitized materials that can be utilized in photoelectrochemical (PEC) sensors and energy conversion. Unlike related systems, the reported system does not require a direct electron transfer from semiconductors to electrodes. Rather, it relies on electron shuttling by redox mediators. A range of model photocatalytic materials were prepared using three different TiO2 materials (P25, P90, and PC500) and three sterically hindered phthalocyanines (Pcs) with electron-rich tert-butyl substituents (t-Bu4PcZn, t-Bu4PcAlCl, and t-Bu4PcH2). The materials were compared with previously developed TiO(2 )modified by electron-deficient, also sterically hindered fluorinated phthalocyanine F64PcZn, a singlet oxygen (O-1(2)) producer, as well as its metal-free derivative, F64PcH2. The PEC activity depended on the redox mediator, as well as the type of TiO2 and Pc. By comparing the responses of one-electron shuttles, such as K4Fe(CN)(4), and O-1(2)-reactive electron shuttles, such as phenol, it is possible to reveal the action mechanism of the supported photosensitizers, while the overall activity can be assessed using hydroquinone. t-Bu4PcAlCl showed significantly lower blank responses and higher specific responses toward chlorophenols compared to t-Bu4PcZn due to the electron-withdrawing effect of the Al3+ metal center. The combination of reactivity insights and the need for only microgram amounts of sensing materials renders the reported system advantageous for practical applications. |
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Place of Publication |
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Editor |
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Wos |
000855284300001 |
Publication Date |
2022-09-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
7.4 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 7.4 |
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Call Number |
UA @ admin @ c:irua:190602 |
Serial |
7190 |
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| Permanent link to this record |
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Author |
Andersen, J.A.; Christensen, J.M.; Østberg, M.; Bogaerts, A.; Jensen, A.D. |
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Title |
Plasma-catalytic ammonia decomposition using a packed-bed dielectric barrier discharge reactor |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
International Journal Of Hydrogen Energy |
Abbreviated Journal |
Int J Hydrogen Energ |
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| |
Volume |
47 |
Issue |
75 |
Pages |
32081-32091 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Plasma-catalytic ammonia decomposition as a method for producing hydrogen was studied in a packed-bed dielectric barrier discharge (DBD) reactor at ambient pressure and a fixed plasma power. The influence of packing the plasma zone with various dielectric materials, typically used as catalyst supports, was examined. At conditions (21 W, 75 Nml/min NH3) where an NH3 conversion of 5% was achieved with plasma alone, an improved decomposition was found when introducing dielectric materials with dielectric constants between 4 and 30. Of the tested materials, MgAl2O4 yielded the highest conversion (15.1%). The particle size (0.3-1.4 mm) of the MgAl2O4 packing was found to have a modest influence on the conversion, which dropped from 15.1% to 12.6% with increasing particle size. Impregnation of MgAl2O4 with different metals was found to decrease the NH3 conversion, with the Ni impregnation still showing an improved conversion (7%) compared to plasma-only. The plasma-assisted ammonia decomposition occurs in the gas phase due to micro-discharges, as evident from a linear correlation between the conversion and the frequency of micro-discharges for both plasma alone and with the various solid packing materials. The primary function of the solid is thus to facilitate the gas phase reaction by assisting the creation of micro-discharges. Lastly, insulation of the reactor to raise the temperature to 230 degrees C in the plasma zone was found to have a negative effect on the conversion, as a change from volume discharges to surface discharges occurred. The study shows that NH3 can be decomposed to provide hydrogen by exposure to a non-thermal plasma, but further developments are needed for it to become an energy efficient technology. (C)2022 The Author(s). Published by Elsevier Ltd on behalf of Hydrogen Energy Publications LLC. |
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Place of Publication |
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Wos |
000865421200012 |
Publication Date |
2022-08-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0360-3199 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.2 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 7.2 |
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Call Number |
UA @ admin @ c:irua:191512 |
Serial |
7191 |
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| Permanent link to this record |
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Author |
Cui, Z.; Meng, S.; Yi, Y.; Jafarzadeh, A.; Li, S.; Neyts, E.C.; Hao, Y.; Li, L.; Zhang, X.; Wang, X.; Bogaerts, A. |
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Title |
Plasma-catalytic methanol synthesis from CO₂ hydrogenation over a supported Cu cluster catalyst : insights into the reaction mechanism |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Acs Catalysis |
Abbreviated Journal |
Acs Catal |
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Volume |
12 |
Issue |
2 |
Pages |
1326-1337 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Plasma-catalytic CO, hydrogenation for methanol production is gaining increasing interest, but our understanding of its reaction mechanism remains primitive. We present a combined experimental/computational study on plasma-catalytic CO, hydrogenation to CH3OH over a size-selected Cu/gamma-Al2O3 catalyst. Our experiments demonstrate a synergistic effect between the Cu/gamma-Al2O3 catalyst and the CO2/H-2 plasma, achieving a CO2 conversion of 10% at 4 wt % Cu loading and a CH3OH selectivity near 50% further rising to 65% with H2O addition (for a H2O/CO2 ratio of 1). Furthermore, the energy consumption for CH3OH production was more than 20 times lower than with plasma only. We carried out density functional theory calculations over a Cu-13/gamma-Al2O3 model, which reveal that the interfacial sites of the Cu-13 cluster and gamma-Al2O3 support show a bifunctional effect: they not only activate the CO2 molecules but also strongly adsorb key intermediates to promote their hydrogenation further. Reactive plasma species can regulate the catalyst surface reactions via the Eley-Rideal (E-R) mechanism, which accelerates the hydrogenation process and promotes the generation of the key intermediates. H2O can promote the CH3OH desorption by competitive adsorption over the Cu-13/gamma-Al2O3 surface. This study provides new insights into CO2 hydrogenation through plasma catalysis, and it provides inspiration for the conversion of some other small molecules (CH4, N-2, CO, etc.) by plasma catalysis using supported-metal clusters. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000742735600001 |
Publication Date |
2022-01-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2155-5435 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.9 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 12.9 |
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Call Number |
UA @ admin @ c:irua:186416 |
Serial |
7192 |
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| Permanent link to this record |
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Author |
van 't Veer, K.C. |
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Title |
Plasma kinetics modelling of nitrogen fixation : ammonia synthesis in dielectric barrier discharges with catalysts |
Type |
Doctoral thesis |
| |
Year |
2022 |
Publication |
|
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
241 p. |
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Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Ammonia (NH3) synthesis is crucial for the production of artificial fertilizer and is carried out through the Haber-Bosch process. With an energy consumption of 30 GJ/t-NH3 and the emission of 2 kg-CO2/kg-NH3, ammonia is the chemical with the largest environmental footprint. Haber-Bosch operates under high pressure and high temperature conditions. Plasma technology potentially allows greener ammonia production. Dielectric barrier discharges are a popular plasma source in which a catalyst is easily incorporated. The combination of plasma and catalyst can circumvent the harsh reaction conditions of the Haber-Bosch process. Plasma kinetics modelling is used to gain insight into the mechanisms of such plasma-catalytic systems. Special attention is given to the instantaneous power absorbed by the electrons, the relevant fraction of the microdischarges and the discharge volumes. The importance of vibrational excitation is investigated. Depending on the exact discharge conditions, it was found that both the strong microdischarges and vibrational excitation can be simultaneously important for the ammonia yield. The temporal behavior of filamentary dielectric barrier discharges was explicitly taken into account. Ammonia was found to decompose during the microdischarges due to electron impact dissociation. At the same time atomic nitrogen and other excited species are created. Those reactive species recombine to ammonia in the afterglow through various elementary Eley-Rideal and Langmuir-Hinshelwood surface reaction steps with a net ammonia gain. Finally, the concept of the fraction of microdischarges was generalized. It directly represents the efficiency with which the applied electric power is transferred to each individual particle in the plasma reactor. It is argued that any type of spatial or temporal non-uniformity of the plasma will cause unequal treatment of the gas molecules in the reactor, corresponding to a lower efficiency at which the power is transferred to the gas molecules. All of those insights aid in an increased understanding of plasma-catalytic ammonia synthesis as a potential green chemistry solution to the synthesis of ammonia on small scale. |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:188246 |
Serial |
7193 |
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| Permanent link to this record |
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Author |
Borah, R.; Ninakanti, R.; Bals, S.; Verbruggen, S.W. |
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Title |
Plasmon resonance of gold and silver nanoparticle arrays in the Kretschmann (attenuated total reflectance) vs. direct incidence configuration |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
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Volume |
12 |
Issue |
1 |
Pages |
15738-19 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
While the behaviour of plasmonic solid thin films in the Kretschmann (also known as Attenuated Total Reflection, ATR) configuration is well-understood, the use of discrete nanoparticle arrays in this optical configuration is not thoroughly explored. It is important to do so, since close packed plasmonic nanoparticle arrays exhibit exceptionally strong light-matter interactions by plasmonic coupling. The present work elucidates the optical properties of plasmonic Au and Ag nanoparticle arrays in both the direct normal incidence and Kretschmann configuration by numerical models, that are validated experimentally. First, hexagonal close packed Au and Ag nanoparticle films/arrays are obtained by air–liquid interfacial assembly. The numerical models for the rigorous solution of the Maxwell’s equations are validated using experimental optical spectra of these films before systematically investigating various parameters. The individual far-field/near-field optical properties, as well as the plasmon relaxation mechanism of the nanoparticles, vary strongly as the packing density of the array increases. In the Kretschmann configuration, the evanescent fields arising from p – and s -polarized (or TM and TE polarized) incidence have different directional components. The local evanescent field intensity and direction depends on the polarization, angle of incidence and the wavelength of incidence. These factors in the Kretschmann configuration give rise to interesting far-field as well as near-field optical properties. Overall, it is shown that plasmonic nanoparticle arrays in the Kretschmann configuration facilitate strong broadband absorptance without transmission losses, and strong near-field enhancement. The results reported herein elucidate the optical properties of self-assembled nanoparticle films, pinpointing the ideal conditions under which the normal and the Kretschmann configuration can be exploited in multiple light-driven applications. |
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Corporate Author |
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Place of Publication |
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Wos |
000858344700048 |
Publication Date |
2022-09-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2045-2322 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.6 |
Times cited |
11 |
Open Access |
OpenAccess |
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Notes |
R.B. acknowledges financial support from the University of Antwerp Special Research Fund (BOF) for a DOCPRO4 doctoral scholarship (Grant FN541100001). |
Approved |
Most recent IF: 4.6 |
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Call Number |
UA @ admin @ c:irua:190864 |
Serial |
7194 |
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Author |
Ninakanti, R.; Dingenen, F.; Borah, R.; Peeters, H.; Verbruggen, S.W. |
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Title |
Plasmonic hybrid nanostructures in photocatalysis : structures, mechanisms, and applications |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Topics in Current Chemistry |
Abbreviated Journal |
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Volume |
380 |
Issue |
5 |
Pages |
40-62 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
(Sun)Light is an abundantly available sustainable source of energy that has been used in catalyzing chemical reactions for several decades now. In particular, studies related to the interaction of light with plasmonic nanostructures have been receiving increased attention. These structures display the unique property of localized surface plasmon resonance, which converts light of a specific wavelength range into hot charge carriers, along with strong local electromagnetic fields, and/or heat, which may all enhance the reaction efficiency in their own way. These unique properties of plasmonic nanoparticles can be conveniently tuned by varying the metal type, size, shape, and dielectric environment, thus prompting a research focus on rationally designed plasmonic hybrid nanostructures. In this review, the term “hybrid” implies nanomaterials that consist of multiple plasmonic or non-plasmonic materials, forming complex configurations in the geometry and/or at the atomic level. We discuss the synthetic techniques and evolution of such hybrid plasmonic nanostructures giving rise to a wide variety of material and geometric configurations. Bimetallic alloys, which result in a new set of opto-physical parameters, are compared with core–shell configurations. For the latter, the use of metal, semiconductor, and polymer shells is reviewed. Also, more complex structures such as Janus and antenna reactor composites are discussed. This review further summarizes the studies exploiting plasmonic hybrids to elucidate the plasmonic-photocatalytic mechanism. Finally, we review the implementation of these plasmonic hybrids in different photocatalytic application domains such as H2 generation, CO2 reduction, water purification, air purification, and disinfection. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000839670500009 |
Publication Date |
2022-08-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2364-8961 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:189825 |
Serial |
7195 |
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Author |
Abedi, S.; Sisakht, E.T.; Hashemifar, S.J.; Cherati, N.G.; Sarsari, I.A.; Peeters, F.M. |
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Title |
Prediction of novel two-dimensional Dirac nodal line semimetals in Al₂B₂ and AlB₄ monolayers |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
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Volume |
14 |
Issue |
31 |
Pages |
11270-11283 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Topological semimetal phases in two-dimensional (2D) materials have gained widespread interest due to their potential applications in novel nanoscale devices. Despite the growing number of studies on 2D topological nodal lines (NLs), candidates with significant topological features that combine nontrivial topological semimetal phase with superconductivity are still rare. Herein, we predict Al2B2 and AlB4 monolayers as new 2D nonmagnetic Dirac nodal line semimetals with several novel features. Our extensive electronic structure calculations combined with analytical studies reveal that, in addition to multiple Dirac points, these 2D configurations host various highly dispersed NLs around the Fermi level, all of which are semimetal states protected by time-reversal and in-plane mirror symmetries. The most intriguing NL in Al2B2 encloses the K point and crosses the Fermi level, showing a considerable dispersion and thus providing a fresh playground to explore exotic properties in dispersive Dirac nodal lines. More strikingly, for the AlB4 monolayer, we provide the first evidence for a set of 2D nonmagnetic open type-II NLs coexisting with superconductivity at a rather high transition temperature. The coexistence of superconductivity and nontrivial band topology in AlB4 not only makes it a promising material to exhibit novel topological superconducting phases, but also a rather large energy dispersion of type-II nodal lines in this configuration may offer a platform for the realization of novel topological features in the 2D limit. |
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Place of Publication |
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Wos |
000831003900001 |
Publication Date |
2022-06-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2040-3364; 2040-3372 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
6.7 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 6.7 |
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Call Number |
UA @ admin @ c:irua:189505 |
Serial |
7196 |
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Author |
Dingenen, F.; Borah, R.; Ninakanti, R.; Verbruggen, S.W. |
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Title |
Probing oxygen activation on plasmonic photocatalysts |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Frontiers in Chemistry |
Abbreviated Journal |
Front Chem |
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Volume |
10 |
Issue |
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Pages |
988542-10 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
In this work we present an assay to probe the oxygen activation rate on plasmonic nanoparticles under visible light. Using a superoxide-specific XTT molecular probe, the oxygen activation rate on bimetallic gold-silver “rainbow” nanoparticles with a broadband visible light (> 420 nm) response, is determined at different light intensities by measuring its conversion into the colored XTT-formazan derivate. A kinetic model is applied to enable a quantitative estimation of the rate constant, and is shown to match almost perfectly with the experimental data. Next, the broadband visible light driven oxygen activation capacity of this plasmonic rainbow system, supported on nano-sized SiO 2 , is demonstrated towards the oxidation of aniline to azobenzene in DMSO. To conclude, a brief theoretical discussion is devoted to the possible mechanisms behind such plasmon-driven reactions. |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000860818400001 |
Publication Date |
2022-09-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2296-2646 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
5.5 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 5.5 |
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Call Number |
UA @ admin @ c:irua:190868 |
Serial |
7197 |
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Author |
Spanoghe, J. |
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Title |
Purple bacteria cultivation on light, carbon dioxide and hydrogen gas : exploring and tuning the potential for microbial food production |
Type |
Doctoral thesis |
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Year |
2022 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
vi, 207 p. |
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Keywords |
Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The human population is projected to grow to 9.7 billion by 2050, resulting in an estimated increase in protein demand of 50%. From an environmental perspective, the current and future demand of protein cannot be sustainably met as the conventional food production chain is severely altering biogeochemical cycles of nitrogen and phosphorus, biodiversity and land-use, with flows towards the biosphere and oceans that are exceeding the planetary boundaries. Microbial protein (protein derived from microorganisms) has been suggested as an excellent sustainable protein source, a fortiori when produced in a land- and fossil free manner. The photoautohydrogenotrophic cultivation (i.e. with light, CO2 and H2) of purple bacteria links up perfectly with the upcoming green electrification of industry (green H2) and the need for carbon capture and utilization. However, this metabolism represented a gap in literature, and thus this thesis aimed to establish a basic knowledge platform on its kinetic, stoichiometric and nutritional performance. At first, three originally photoheterotrophically enriched purple bacteria were studied of which Rhodobacter capsulatus reached the highest protein productivity of 0.16 g protein/L/d, which aligned well with the commonly-known photoautotrophic microalgae. Moreover, a full dietary essential amino acid match was found for human food, while the fatty acid content was dominated by the health-stimulating vaccenic acid (82-86%). Lastly, the achieved protein yield in photoautohydrogenotrophic purple bacteria was 2.3 times higher compared to hydrogen oxidizing bacteria, indicating a resource-efficient use of H2. Next, a photoautohydrogenotrophic enrichment of wastewater treatment microbiomes was performed in search for specialist species. While the isolates of this enrichment showed improvements in their performance during acclimation, the kinetic and nutritional performance of Rhodobacter capsulatus still excelled. Subsequently, the influence of nutrient limitations (C or N) and nitrogen gas fixation was studied on the nutritional tuning potential. Both the limitations as well as the N2 fixation resulted in the shift of the essential amino acid profiles. Additionally, the limitations significantly decreased the pigment content, while an increase in the storage of poly-P was seen in case of carbon limitations. The next major challenge was the production intensification in a photobioreactor of which the design was linked to minimizing both H2 and light limitations. The chosen bubble-column photobioreactor already resulted in a doubled biomass productivity. Finally, the remaining technological and non-technological challenges ahead for the production of a high-value, cost-efficient, environment-friendly microbial protein that complies with legislative requirements and appeals to future consumers were discussed. |
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ISSN |
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ISBN |
978-90-5728-741-1 |
Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:188233 |
Serial |
7198 |
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| Permanent link to this record |
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Author |
Spanoghe, J.; Ost, K.J.; Van Beeck, W.; Vermeir, P.; Lebeer, S.; Vlaeminck, S.E. |
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Title |
Purple bacteria screening for photoautohydrogenotrophic food production : are new H₂-fed isolates faster and nutritionally better than photoheterotrophically obtained reference species? |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
New biotechnology |
Abbreviated Journal |
New Biotechnol |
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Volume |
72 |
Issue |
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Pages |
38-47 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Photoautohydrogenotrophic enrichments of wastewater treatment microbiomes were performed to obtain hypothetically high-potential specialist species for biotechnological applications. From these enrichment cultures, ten photoautohydrogenotrophic species were isolated: six Rhodopseudomonas species, three Rubrivivax members and Rhodobacter blasticus. The performance of these isolates was compared to three commonly studied, and originally photoheterotrophically enriched species (Rhodopseudomonas palustris, Rhodobacter capsulatus and Rhodobacter sphaeroides), designated as reference species. Repeated subcultivations were applied to improve the initial poor performance of the isolates (acclimation effect), which resulted in increases in both maximum growth rate and protein productivity. However, the maximum growth rate of the reference species remained 3–7 times higher compared to the isolates (0.42–0.84 d−1 at 28 °C), while protein productivities remained 1.5–1.7 times higher. This indicated that H2-based enrichment did not result in photoautohydrogenotrophic specialists, suggesting that the reference species are more suitable for intensified biomass and protein production. On the other hand, the isolates were able to provide equally high protein quality profiles as the references species, providing full dietary essential amino acid matches for human food. Lastly, the effect of metabolic carbon/electron switching (back and forth between auto- to heterotrophic conditions) initially boosted µmax when returning to photoautohydrogenotrophic conditions. However, the switch negatively impacted lag phase, protein productivities and pigment contents. In the case of protein productivity, the acquired acclimation was partially lost with decreases of up to 44 % and 40 % respectively for isolates and reference species. Finally, the three reference species, and specifically Rh. capsulatus, remained the most suitable candidate(s) for further biotechnological development. |
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Wos |
000861078800005 |
Publication Date |
2022-08-29 |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1871-6784; 1876-4347 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.4 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 5.4 |
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Call Number |
UA @ admin @ c:irua:190188 |
Serial |
7199 |
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Author |
Wang, L.; Miao, Q.; Niinemets, Ü.; Gielis, J.; Shi, P. |
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Title |
Quantifying the variation in the geometries of the outer rims of corolla tubes of Vinca major L |
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A1 Journal article |
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Year |
2022 |
Publication |
Plants |
Abbreviated Journal |
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Volume |
11 |
Issue |
15 |
Pages |
1987-12 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Many geometries of plant organs can be described by the Gielis equation, a polar coordinate equation extended from the superellipse equation, . Here, r is the polar radius corresponding to the polar angle φ; m is a positive integer that determines the number of angles of the Gielis curve when φ ∈ [0 to 2π); and the rest of the symbols are parameters to be estimated. The pentagonal radial symmetry of calyxes and corolla tubes in top view is a common feature in the flowers of many eudicots. However, prior studies have not tested whether the Gielis equation can depict the shapes of corolla tubes. We sampled randomly 366 flowers of Vinca major L., among which 360 had five petals and pentagonal corolla tubes, and six had four petals and quadrangular corolla tubes. We extracted the planar coordinates of the outer rims of corolla tubes (in top view) (ORCTs), and then fitted the data with two simplified versions of the Gielis equation with k = 1 and m = 5: (Model 1), and (Model 2). The adjusted root mean square error (RMSEadj) was used to evaluate the goodness of fit of each model. In addition, to test whether ORCTs are radially symmetrical, we correlated the estimates of n2 and n3 in Model 1 on a log-log scale. The results validated the two simplified Gielis equations. The RMSEadj values for all corolla tubes were smaller than 0.05 for both models. The numerical values of n2 and n3 were demonstrated to be statistically equal based on the regression analysis, which suggested that the ORCTs of V. major are radially symmetrical. It suggests that Model 1 can be replaced by the simpler Model 2 for fitting the ORCT in this species. This work indicates that the pentagonal or quadrangular corolla tubes (in top view) can both be modeled by the Gielis equation and demonstrates that the pentagonal or quadrangular corolla tubes of plants tend to form radial symmetrical geometries during their development and growth. |
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Wos |
000839115100001 |
Publication Date |
2022-08-01 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2223-7747 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:189315 |
Serial |
7200 |
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