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Author |
Xu, H.; Li, H.; Gauquelin, N.; Chen, X.; Wu, W.-F.; Zhao, Y.; Si, L.; Tian, D.; Li, L.; Gan, Y.; Qi, S.; Li, M.; Hu, F.; Sun, J.; Jannis, D.; Yu, P.; Chen, G.; Zhong, Z.; Radovic, M.; Verbeeck, J.; Chen, Y.; Shen, B. |
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Title |
Giant tunability of Rashba splitting at cation-exchanged polar oxide interfaces by selective orbital hybridization |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Advanced materials |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The 2D electron gas (2DEG) at oxide interfaces exhibits extraordinary properties, such as 2D superconductivity and ferromagnetism, coupled to strongly correlated electrons in narrow d-bands. In particular, 2DEGs in KTaO3 (KTO) with 5d t2g orbitals exhibit larger atomic spin-orbit coupling and crystal-facet-dependent superconductivity absent for 3d 2DEGs in SrTiO3 (STO). Herein, by tracing the interfacial chemistry, weak anti-localization magneto-transport behavior, and electronic structures of (001), (110), and (111) KTO 2DEGs, unambiguously cation exchange across KTO interfaces is discovered. Therefore, the origin of the 2DEGs at KTO-based interfaces is dramatically different from the electronic reconstruction observed at STO interfaces. More importantly, as the interface polarization grows with the higher order planes in the KTO case, the Rashba spin splitting becomes maximal for the superconducting (111) interfaces approximately twice that of the (001) interface. The larger Rashba spin splitting couples strongly to the asymmetric chiral texture of the orbital angular moment, and results mainly from the enhanced inter-orbital hopping of the t2g bands and more localized wave functions. This finding has profound implications for the search for topological superconductors, as well as the realization of efficient spin-charge interconversion for low-power spin-orbitronics based on (110) and (111) KTO interfaces. An unambiguous cation exchange is discovered across the interfaces of (001), (110), and (111) KTaO3 2D electron gases fabricated at room temperature. Remarkably, the (111) interfaces with the highest superconducting transition temperature also turn out to show the strongest electron-phonon interaction and the largest Rashba spin splitting. image |
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Wos  |
001219658400001 |
Publication Date |
2024-03-13 |
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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 |
0935-9648 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
29.4 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 29.4; 2024 IF: 19.791 |
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Call Number |
UA @ admin @ c:irua:206037 |
Serial |
9152 |
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Author |
Bampouli, A.; Goris, Q.; Hussain, M.N.; Louisnard, O.; Stefanidis, G.D.; Van Gerven, T. |
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Title |
Importance of design and operating parameters in a sonication system for viscous solutions : effects of input power, horn tip diameter and reactor capacity |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Chemical engineering and processing |
Abbreviated Journal |
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Volume |
198 |
Issue |
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Pages |
109715-12 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
This study investigates the distribution of ultrasound (US) energy in a batch system for solutions with viscosity ranging from 1 to approximately 3000 mPas. Sonication was performed using horn type configurations operating at 20-30 kHz and rated power capacity of 50 or 200 W. Two different tip diameters (3 or 7 mm) and two insertion depths (35 or 25 mm) within vessels of different sizes ( approximate to 60 or 130 ml) were utilized. Additionally, a special conical tip design was employed. For each experimental setup, the calorimetric efficiency was estimated, the cavitationally active regions were visualized using the sonochemiluminescence (SCL) method and bubble cluster formation inside the vessel was macroscopically observed using a high speed camera (HSC). In the viscosity range tested, the calorimetry results showed that the efficiency and continuous operation of the device depend on both the rated power and the horn tip diameter. The ratio between electrical and calorimetric power input remained consistently around 40 to 50% across the different configurations for water, but for the 123.2 mPas solution exhibited significant variation ranging from 40 to 85%. Moreover, the power density in the smaller reactor was found to be nearly double compared to the larger one. The SCL analysis showed multiple cavitationally active zones in all setups, and the zones intensity decreased considerably with increase of the solutions viscosity. The results for the cone tip were not conclusive, but can be used as the basis for further investigation. The current research highlights the importance of thoroughly understanding the impact of each design parameter, and of establishing characterization methodologies to assist in the future development of scaled-up, commercial applications. |
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Wos |
001218630800001 |
Publication Date |
2024-02-21 |
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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 |
0255-2701 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
4.3 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 4.3; 2024 IF: 2.234 |
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Call Number |
UA @ admin @ c:irua:206003 |
Serial |
9154 |
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Author |
Osorio-Tejada, J.; Escriba-Gelonch, M.; Vertongen, R.; Bogaerts, A.; Hessel, V. |
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Title |
CO₂ conversion to CO via plasma and electrolysis : a techno-economic and energy cost analysis |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Energy & environmental science |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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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 |
Electrification and carbon capture technologies are essential for achieving net-zero emissions in the chemical sector. A crucial strategy involves converting captured CO2 into CO, a valuable chemical feedstock. This study evaluates the feasibility of two innovative methods: plasma activation and electrolysis, using clean electricity and captured CO2. Specifically, it compares a gliding arc plasma reactor with an embedded novel carbon bed system to a modern zero-gap type low-temperature electrolyser. The plasma method stood out with an energy cost of 19.5 GJ per tonne CO, marking a 43% reduction compared to electrolysis and conventional methods. CO production costs for plasma- and electrolysis-based plants were $671 and $962 per tonne, respectively. However, due to high uncertainty regarding electrolyser costs, the CO production costs in electrolysis-based plants may actually range from $570 to $1392 per tonne. The carbon bed system in the plasma method was a key factor in facilitating additional CO generation from O-2 and enhancing CO2 conversion, contributing to its cost-effectiveness. Challenges for electrolysis included high costs of equipment and low current densities. Addressing these limitations could significantly decrease production costs, but challenges arise from the mutual relationship between intrinsic parameters, such as CO2 conversion, CO2 input flow, or energy cost. In a future scenario with affordable feedstocks and equipment, costs could drop below $500 per tonne for both methods. While this may be more challenging for electrolysis due to complexity and expensive catalysts, plasma-based CO production appears more viable and competitive. |
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Wos |
001218045900001 |
Publication Date |
2024-05-06 |
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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 |
1754-5692; 1754-5706 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
32.5 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 32.5; 2024 IF: 29.518 |
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Call Number |
UA @ admin @ c:irua:205986 |
Serial |
9138 |
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Author |
Shafiei, M.; Fazileh, F.; Peeters, F.M.; Milošević, M.V. |
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Title |
Floquet engineering of axion and high-Chern number phases in a topological insulator under illumination |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
SciPost Physics Core |
Abbreviated Journal |
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Volume |
7 |
Issue |
7 |
Pages |
024-16 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Quantum anomalous Hall, high-Chern number, and axion phases in topological insulators are characterized by its Chern invariant C (respectively, C = 1, integer C > 1, and C = 0 with half-quantized Hall conductance of opposite signs on top and bottom surfaces). They are of recent interest because of novel fundamental physics and prospective applications, but identifying and controlling these phases has been challenging in practice. Here we show that these states can be created and switched between in thin films of Bi2Se3 by Floquet engineering, using irradiation by circularly polarized light. We present the calculated phase diagrams of encountered topological phases in Bi2Se3, as a function of wavelength and amplitude of light, as well as sample thickness, after properly taking into account the penetration depth of light and the variation of the gap in the surface states. These findings open pathways towards energy-efficient optoelectronics, advanced sensing, quantum information processing and metrology. |
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Wos |
001217885300001 |
Publication Date |
2024-05-01 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Edition |
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ISBN |
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Additional Links |
UA library record; WoS full 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:205972 |
Serial |
9151 |
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Author |
Hassani, N.; Movafegh-Ghadirli, A.; Mahdavifar, Z.; Peeters, F.M.; Neek-Amal, M. |
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Title |
Two new members of the covalent organic frameworks family : crystalline 2D-oxocarbon and 3D-borocarbon structures |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Computational materials science |
Abbreviated Journal |
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Volume |
241 |
Issue |
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Pages |
1-9 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Oxocarbons, known for over two centuries, have recently revealed a long-awaited facet: two-dimensional crystalline structures. Employing an intelligent global optimization algorithm (IGOA) alongside densityfunctional calculations, we unearthed a quasi -flat oxocarbon (C 6 0 6 ), featuring an oxygen -decorated hole, and a novel 3D-borocarbon. Comparative analyses with recently synthesized isostructures, such as 2D -porous carbon nitride (C 6 N 6 ) and 2D -porous boroxine (B 6 0 6 ), highlight the unique attributes of these compounds. All structures share a common stoichiometry of X 6 Y 6 (which we call COF-66), where X = B, C, and Y = B, N, O (with X not equal Y), exhibiting a 2D -crystalline structure, except for borocarbon C 6 B 6 , which forms a 3D crystal. In our comprehensive study, we conducted a detailed exploration of the electronic structure of X 6 Y 6 compounds, scrutinizing their thermodynamic properties and systematically evaluating phonon stability criteria. With expansive surface areas, diverse pore sizes, biocompatibility, pi-conjugation, and distinctive photoelectric properties, these structures, belonging to the covalent organic framework (COF) family, present enticing prospects for fundamental research and hold potential for biosensing applications. |
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Wos |
001215960700001 |
Publication Date |
2024-04-23 |
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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 |
0927-0256 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.3 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.3; 2024 IF: 2.292 |
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Call Number |
UA @ admin @ c:irua:206005 |
Serial |
9179 |
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Author |
Khan, S.U.; Matshitse, R.; Borah, R.; Nemakal, M.; Moiseeva, E.O.; Dubinina, T.V.; Nyokong, T.; Verbruggen, S.W.; De Wael, K. |
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Title |
Coupling of phthalocyanines with plasmonic gold nanoparticles by click chemistry for an enhanced singlet oxygen based photoelectrochemical sensing |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
ChemElectroChem |
Abbreviated Journal |
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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; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab); Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS) |
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Abstract |
Coupling photosensitizers (PSs) with plasmonic nanoparticles increases the photocatalytic activity of PSs as the localized surface plasmon resonance (LSPR) of plasmonic nanoparticles leads to extreme concentration of light in their vicinity known as the near-field enhancement effect. To realize this in a colloidal phase, efficient conjugation of the PS molecules with the plasmonic nanoparticle surface is critical. In this work, we demonstrate the coupling of phthalocyanine (Pc) molecules with gold nanoparticles (AuNPs) in the colloidal phase via click chemistry. This conjugated Pc-AuNPs colloidal system is shown to enhance the photocatalytic singlet oxygen (1O2) production over non-conjugated Pcs and hence improve the photoelectrochemical detection of phenols. The plasmonic enhancement of the 1O2 generation by Pcs was clearly elucidated by complementary experimental and computational classical electromagnetic models. The dependence of plasmonic enhancement on the spectral position of the excitation laser wavelength and the absorbance of the Pc molecules with respect to the wavelength specific near-field enhancement is clearly demonstrated. A high similar to 8 times enhancement is obtained with green laser (532 nm) at the LSPR due to the maximum near-field enhancement at the resonance wavelength. Zinc phthalocyanine is covalently linked to plasmonic AuNPs via click chemistry to investigate the synergistic effect that boosts the overall activity toward the detection of HQ under visible light illumination. The 1O2 quantum yield of ZnPc improved significantly after conjugating with AuNPs, resulting in enhanced photoelectrochemical activity. image |
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Wos |
001214481000001 |
Publication Date |
2024-05-02 |
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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 |
2196-0216 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
4 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 4; 2024 IF: 4.136 |
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Call Number |
UA @ admin @ c:irua:205962 |
Serial |
9142 |
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Author |
Albrechts, M.; Tsonev, I.; Bogaerts, A. |
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Title |
Investigation of O atom kinetics in O2plasma and its afterglow |
Type |
A1 Journal Article |
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Year |
2024 |
Publication |
Plasma Sources Science and Technology |
Abbreviated Journal |
Plasma Sources Sci. Technol. |
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Volume |
33 |
Issue |
4 |
Pages |
045017 |
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Keywords |
A1 Journal Article; oxygen plasma, pseudo-1D plug-flow kinetic model, O atoms, low-pressure validation, atmospheric pressure microwave torch; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
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Abstract |
We have developed a comprehensive kinetic model to study the O atom kinetics in an O<sub>2</sub>plasma and its afterglow. By adopting a pseudo-1D plug-flow formalism within the kinetic model, our aim is to assess how far the O atoms travel in the plasma afterglow, evaluating its potential as a source of O atoms for post-plasma gas conversion applications. Since we could not find experimental data for pure O<sub>2</sub>plasma at atmospheric pressure, we first validated our model at low pressure (1–10 Torr) where very good experimental data are available. Good agreement between our model and experiments was achieved for the reduced electric field, gas temperature and the densities of the dominant neutral species, i.e. O<sub>2</sub>(a), O<sub>2</sub>(b) and O. Subsequently, we confirmed that the chemistry set is consistent with thermodynamic equilibrium calculations at atmospheric pressure. Finally, we investigated the O atom densities in the O<sub>2</sub>plasma and its afterglow, for which we considered a microwave O<sub>2</sub>plasma torch, operating at a pressure between 0.1 and 1 atm, for a flow rate of 20 slm and an specific energy input of 1656 kJ mol<sup>−1</sup>. Our results show that for both pressure conditions, a high dissociation degree of ca. 92% is reached within the discharge. However, the O atoms travel much further in the plasma afterglow for<italic>p</italic>= 0.1 atm (9.7 cm) than for<italic>p</italic>= 1 atm (1.4 cm), attributed to the longer lifetime (3.8 ms at 0.1 atm vs 1.8 ms at 1 atm) resulting from slower three-body recombination kinetics, as well as a higher volumetric flow rate. |
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Wos |
001209453500001 |
Publication Date |
2024-04-01 |
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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 |
0963-0252 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.8 |
Times cited |
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Open Access |
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Notes |
This research was supported by the Horizon Europe Framework Program ‘Research and Innovation Actions’ (RIA), Project CANMILK (Grant No. 101069491). |
Approved |
Most recent IF: 3.8; 2024 IF: 3.302 |
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Call Number |
PLASMANT @ plasmant @c:irua:205920 |
Serial |
9125 |
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Author |
Iungin, O.; Shydlovska, O.; Moshynets, O.; Vasylenko, V.; Sidorenko, M.; Mickevicius, S.; Potters, G. |
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Title |
Metal-based nanoparticles : an alternative treatment for biofilm infection in hard-to-heal wounds |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Journal of wound care |
Abbreviated Journal |
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Volume |
33 |
Issue |
s:[4A] |
Pages |
99-110 |
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Keywords |
A1 Journal article; Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS) |
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Abstract |
Metal-based nanoparticles (MNPs) are promoted as effective compounds in the treatment of bacterial infections and as possible alternatives to antibiotics. These MNPs are known to affect a broad spectrum of microorganisms using a multitude of strategies, including the induction of reactive oxygen species and interaction with the inner structures of the bacterial cells. The aim of this review was to summarise the latest studies about the effect of metal-based nanoparticles on pathogenic bacterial biofilm formed in wounds, using the examples of Gram-positive bacterium Staphylococcus aureus and Gram-negative bacterium Pseudomonas aeruginosa, as well as provide an overview of possible clinical applications. Declaration of interest: The authors have no conflicts of interest. |
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Wos |
001208810700003 |
Publication Date |
2024-04-08 |
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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 |
0969-0700 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
1.9 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 1.9; 2024 IF: 1.446 |
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Call Number |
UA @ admin @ c:irua:205959 |
Serial |
9159 |
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Author |
Leinders, G.; Grendal, O.G.; Arts, I.; Bes, R.; Prozheev, I.; Orlat, S.; Fitch, A.; Kvashnina, K.; Verwerft, M. |
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Title |
Refinement of the uranium dispersion corrections from anomalous diffraction |
Type |
A1 Journal Article |
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Year |
2024 |
Publication |
Journal of Applied Crystallography |
Abbreviated Journal |
J Appl Cryst |
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Volume |
57 |
Issue |
2 |
Pages |
284-295 |
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Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
The evolution of the uranium chemical state in uranium compounds, principally in the oxides, is of concern in the context of nuclear fuel degradation under storage and repository conditions, and in accident scenarios. The U–O system shows complicated phase relations between single-valence uranium dioxide (UO<sub>2</sub>) and different mixed-valence compounds (<italic>e.g.</italic>U<sub>4</sub>O<sub>9</sub>, U<sub>3</sub>O<sub>7</sub>and U<sub>3</sub>O<sub>8</sub>). To try resolving the electronic structure associated with unique atomic positions, a combined application of diffraction and spectroscopic techniques, such as diffraction anomalous fine structure (DAFS), can be considered. Reported here is the application of two newly developed routines for assessing a DAFS data set, with the aim of refining the uranium X-ray dispersion corrections. High-resolution anomalous diffraction data were acquired from polycrystalline powder samples of UO<sub>2</sub>(containing tetravalent uranium) and potassium uranate (KUO<sub>3</sub>, containing pentavalent uranium) using synchrotron radiation in the vicinity of the U<italic>L</italic><sub>3</sub>edge (17.17 keV). Both routines are based on an iterative refinement of the dispersion corrections, but they differ in either using the intensity of a selection of reflections or doing a full-pattern (Rietveld method) refinement. The uranium dispersion corrections obtained using either method are in excellent agreement with each other, and they show in great detail the chemical shifts and differences in fine structure expected for tetravalent and pentavalent uranium. This approach may open new possibilities for the assessment of other, more complicated, materials such as mixed-valence compounds. Additionally, the DAFS methodology can offer a significant resource optimization because each data set contains both structural (diffraction) and chemical (spectroscopy) information, which can avoid the requirement to use multiple experimental stations at synchrotron sources. |
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Wos |
001208800100008 |
Publication Date |
2024-04-01 |
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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 |
1600-5767 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
6.1 |
Times cited |
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Open Access |
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Notes |
FPS Economy, SF-CORMOD; |
Approved |
Most recent IF: 6.1; 2024 IF: 2.495 |
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Call Number |
EMAT @ emat @c:irua:206011 |
Serial |
9127 |
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Author |
Kummamuru, N.B.; Ciocarlan, R.-G.; Houlleberghs, M.; Martens, J.; Breynaert, E.; Verbruggen, S.W.; Cool, P.; Perreault, P. |
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Title |
Surface modification of mesostructured cellular foam to enhance hydrogen storage in binary THF/H₂ clathrate hydrate |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Sustainable energy & fuels |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-15 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA) |
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Abstract |
This study introduces solid-state tuning of a mesostructured cellular foam (MCF) to enhance hydrogen (H-2) storage in clathrate hydrates. Grafting of promoter-like molecules (e.g., tetrahydrofuran) at the internal surface of the MCF resulted in a substantial improvement in the kinetics of formation of binary H-2-THF clathrate hydrate. Identification of the confined hydrate as sII clathrate hydrate and enclathration of H-2 in its small cages was performed using XRD and high-pressure H-1 NMR spectroscopy respectively. Experimental findings show that modified MCF materials exhibit a similar to 1.3 times higher H-2 storage capacity as compared to non-modified MCF under the same conditions (7 MPa, 265 K, 100% pore volume saturation with a 5.56 mol% THF solution). The enhancement in H-2 storage is attributed to the hydrophobicity originating from grafting organic molecules onto pristine MCF, thereby influencing water interactions and fostering an environment conducive to H-2 enclathration. Gas uptake curves indicate an optimal tuning point for higher H-2 storage, favoring a lower density of carbon per nm(2). Furthermore, a direct correlation emerges between higher driving forces and increased H-2 storage capacity, culminating at 0.52 wt% (46.77 mmoles of H-2 per mole of H2O and 39.78% water-to-hydrate conversions) at 262 K for the modified MCF material with fewer carbons per nm(2). Notably, the substantial H-2 storage capacity achieved without energy-intensive processes underscores solid-state tuning's potential for H-2 storage in the synthesized hydrates. This study evaluated two distinct kinetic models to describe hydrate growth in MCF. The multistage kinetic model showed better predictive capabilities for experimental data and maintained a low average absolute deviation. This research provides valuable insights into augmenting H-2 storage capabilities and holds promising implications for future advancements. |
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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 |
001208396000001 |
Publication Date |
2024-04-15 |
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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 |
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ISBN |
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Additional Links |
UA library record; WoS full 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:205764 |
Serial |
9232 |
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| Permanent link to this record |
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Author |
Yorulmaz, U.; Šabani, D.; Sevik, C.; Milošević, M.V. |
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Title |
Goodenough-Kanamori-Anderson high-temperature ferromagnetism in tetragonal transition-metal xenes |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
2D materials |
Abbreviated Journal |
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| |
Volume |
11 |
Issue |
3 |
Pages |
035013-10 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Seminal Goodenough-Kanamori-Anderson (GKA) rules provide an inceptive understanding of the superexchange interaction of two magnetic metal ions bridged with an anion, and suggest fostered ferromagnetic interaction for orthogonal bridging bonds. However, there are no examples of two-dimensional (2D) materials with structure that optimizes the GKA arguments towards enhanced ferromagnetism and its critical temperature. Here we reveal that an ideally planar GKA ferromagnetism is indeed stable in selected tetragonal transition-metal xenes (tTMXs), with Curie temperature above 300 K found in CrC and MnC. We provide the general orbitally-resolved analysis of magnetic interactions that supports the claims and sheds light at the mechanisms dominating the magnetic exchange process in these structures. Furthermore, we propose the set of three GKA-like rules that will guarantee room temperature ferromagetnism. With recent advent of epitaxially-grown tetragonal 2D materials, our findings earmark tTMXs for facilitated spintronic and magnonic applications, or as a desirable magnetic constituent of functional 2D heterostructures. |
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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 |
001208053200001 |
Publication Date |
2024-04-12 |
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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 |
|
Series Issue |
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Edition |
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| |
ISSN |
2053-1583 |
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 |
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Notes |
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Approved |
Most recent IF: 5.5; 2024 IF: 6.937 |
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Call Number |
UA @ admin @ c:irua:205464 |
Serial |
9153 |
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| Permanent link to this record |
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Author |
Ozdemir, I.; Arkin, H.; Milošević, M.V.; V. Barth, J.; Aktuerk, E. |
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Title |
Exploring the adsorption mechanisms of neurotransmitter and amino acid on Ti3C2-MXene monolayer : insights from DFT calculations |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
Surfaces and interfaces |
Abbreviated Journal |
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| |
Volume |
46 |
Issue |
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Pages |
104169-9 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In this study, we conducted a systematic density functional theory (DFT) investigation of the interaction between Ti3C2-MXene monolayer and biological molecules dopamine (DA) and serine (Ser) as neurotransmitter and amino acid, respectively. Our calculations show good agreement with previous literature findings for the optimized Ti3C2 monolayer. We found that DA and Ser molecules bind to the Ti3C2 surface with adsorption energies of -2.244 eV and -3.960 eV, respectively. The adsorption of Ser resulted in the dissociation of one H atom. Electronic density of states analyses revealed little changes in the electronic properties of the Ti3C2-MXene monolayer upon adsorption of the biomolecules. We further investigated the interaction of DA and Ser with Ti3C2 monolayers featuring surface -termination with OH functional group, and Ti -vacancy. Our calculations indicate that the adsorption energies significantly decrease in the presence of surface termination, with adsorption energies of -0.097 eV and -0.330 eV for DA and Ser, respectively. Adsorption energies on the Ti -vacancy surface, on the other hand, are calculated to be -3.584 eV and -3.856 eV for DA and Ser, respectively. Our results provide insights into the adsorption behavior of biological molecules on Ti3C2-MXene, demonstrating the potential of this material for biosensing and other biomedical applications. These findings highlight the importance of surface modifications in the development of functional materials and devices based on Ti3C2-MXene, and pave the way for future investigations into the use of 2D materials for biomedical applications. |
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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 |
001206950300001 |
Publication Date |
2024-03-08 |
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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 |
|
Edition |
|
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| |
ISSN |
2468-0230 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
6.2 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 6.2; 2024 IF: NA |
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Call Number |
UA @ admin @ c:irua:205977 |
Serial |
9150 |
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Author |
Cioni, M.; Delle Piane, M.; Polino, D.; Rapetti, D.; Crippa, M.; Arslan Irmak, E.; Van Aert, S.; Bals, S.; Pavan, G.M. |
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Title |
Sampling real-time atomic dynamics in metal nanoparticles by combining experiments, simulations, and machine learning |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
Advanced Science |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-13 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Even at low temperatures, metal nanoparticles (NPs) possess atomic dynamics that are key for their properties but challenging to elucidate. Recent experimental advances allow obtaining atomic-resolution snapshots of the NPs in realistic regimes, but data acquisition limitations hinder the experimental reconstruction of the atomic dynamics present within them. Molecular simulations have the advantage that these allow directly tracking the motion of atoms over time. However, these typically start from ideal/perfect NP structures and, suffering from sampling limits, provide results that are often dependent on the initial/putative structure and remain purely indicative. Here, by combining state-of-the-art experimental and computational approaches, how it is possible to tackle the limitations of both approaches and resolve the atomistic dynamics present in metal NPs in realistic conditions is demonstrated. Annular dark-field scanning transmission electron microscopy enables the acquisition of ten high-resolution images of an Au NP at intervals of 0.6 s. These are used to reconstruct atomistic 3D models of the real NP used to run ten independent molecular dynamics simulations. Machine learning analyses of the simulation trajectories allow resolving the real-time atomic dynamics present within the NP. This provides a robust combined experimental/computational approach to characterize the structural dynamics of metal NPs in realistic conditions. Experimental and computational techniques are bridged to unveil atomic dynamics in gold nanoparticles (NPs), using annular dark-field scanning transmission electron microscopy and molecular dynamics simulations informed by machine learning. The approach provides unprecedented insights into the real-time structural behaviors of NPs, merging state-of-the-art techniques to accurately characterize their dynamics under realistic conditions. image |
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Address |
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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 |
001206888000001 |
Publication Date |
2024-04-24 |
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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 |
2198-3844 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
15.1 |
Times cited |
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Open Access |
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Notes |
This work was supported by the funding received by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement no. 818776- DYNAPOL, no. 770887 PICOMETRICS and no. 815128 REALNANO). The authors also acknowledge the computational resources provided by the Swiss National Supercomputing Center (CSCS), by CINECA, and the Research Foundation Flanders (FWO, Belgium) G.0346.21N. |
Approved |
Most recent IF: 15.1; 2024 IF: 9.034 |
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Call Number |
UA @ admin @ c:irua:205442 |
Serial |
9171 |
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Author |
Tsonev, I.; Ahmadi Eshtehardi, H.; Delplancke, M.-P.; Bogaerts, A. |
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Title |
Importance of geometric effects in scaling up energy-efficient plasma-based nitrogen fixation |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Sustainable energy & fuels |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-19 |
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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 |
Despite the recent promising potential of plasma-based nitrogen fixation, the technology faces significant challenges in efficient upscaling. To tackle this challenge, we investigate two reactors, i.e., a small one, operating in a flow rate range of 5-20 ln min-1 and current range of 200-500 mA, and a larger one, operating at higher flow rate (100-300 ln min-1) and current (400-1000 mA). Both reactors operate in a pin-to-pin configuration and are powered by direct current (DC) from the same power supply unit, to allow easy comparison and evaluate the effect of upscaling. In the small reactor, we achieve the lowest energy cost (EC) of 2.8 MJ mol-1, for a NOx concentration of 1.72%, at a flow rate of 20 ln min-1, yielding a production rate (PR) of 33 g h-1. These values are obtained in air; in oxygen-enriched air, the results are typically better, at the cost of producing oxygen-enriched air. In the large reactor, the higher flow rates reduce the NOx concentration due to lower SEI, while maintaining a similar EC. This stresses the important effect of the geometrical configuration of the arc, which is typically concentrated in the center of the reactor, resulting in limited coverage of the reacting gas flow, and this is identified as the limiting factor for upscaling. However, our experiments reveal that by changing the reactor configuration, and thus the plasma geometry and power deposition mechanisms, the amount of gas treated by the plasma can be enhanced, leading to successful upscaling. To obtain more insights in our experiments, we performed thermodynamic equilibrium calculations. First of all, they show that our measured lowest EC closely aligns with the calculated minimum thermodynamic equilibrium at atmospheric pressure. In addition, they reveal that the limited NOx production in the large reactor results from the contracted nature of the plasma. To solve this limitation, we let the large reactor operate in so-called torch configuration. Indeed, the latter enhances the NOx concentrations compared to the pin-to-pin configuration, yielding a PR of 80 g h-1 at an EC of 2.9 MJ mol-1 and NOx concentration of 0.31%. This illustrates the importance of reactor design in upscaling. With the focus on feasibility evaluation of scaling-up plasma-based nitrogen fixation by combined experiments and thermodynamic modelling, we aim to tackle the challenge of design and development of an energy-efficient and scaled-up plasma reactor. |
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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 |
001203657700001 |
Publication Date |
2024-04-11 |
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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 |
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ISBN |
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Additional Links |
UA library record; WoS full 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:205435 |
Serial |
9155 |
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| Permanent link to this record |
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Author |
Chai, Z.-N.; Wang, X.-C.; Yusupov, M.; Zhang, Y.-T. |
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Title |
Unveiling the interaction mechanisms of cold atmospheric plasma and amino acids by machine learning |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-26 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Plasma medicine has attracted tremendous interest in a variety of medical conditions, ranging from wound healing to antimicrobial applications, even in cancer treatment, through the interactions of cold atmospheric plasma (CAP) and various biological tissues directly or indirectly. The underlying mechanisms of CAP treatment are still poorly understood although the oxidative effects of CAP with amino acids, peptides, and proteins have been explored experimentally. In this study, machine learning (ML) technology is introduced to efficiently unveil the interaction mechanisms of amino acids and reactive oxygen species (ROS) in seconds based on the data obtained from the reactive molecular dynamics (MD) simulations, which are performed to probe the interaction of five types of amino acids with various ROS on the timescale of hundreds of picoseconds but with the huge computational load of several days. The oxidative reactions typically start with H-abstraction, and the details of the breaking and formation of chemical bonds are revealed; the modification types, such as nitrosylation, hydroxylation, and carbonylation, can be observed. The dose effects of ROS are also investigated by varying the number of ROS in the simulation box, indicating agreement with the experimental observation. To overcome the limits of timescales and the size of molecular systems in reactive MD simulations, a deep neural network (DNN) with five hidden layers is constructed according to the reaction data and employed to predict the type of oxidative modification and the probability of occurrence only in seconds as the dose of ROS varies. The well-trained DNN can effectively and accurately predict the oxidative processes and productions, which greatly improves the computational efficiency by almost ten orders of magnitude compared with the reactive MD simulation. This study shows the great potential of ML technology to efficiently unveil the underpinning mechanisms in plasma medicine based on the data from reactive MD simulations or experimental measurements. In this study, since reactive molecular dynamics simulation can currently only describe interactions between a few hundred atoms in a few hundred picoseconds, deep neural networks (DNN) are introduced to enhance the simulation results by predicting more data efficiently. image |
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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 |
001202061200001 |
Publication Date |
2024-04-15 |
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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 |
1612-8850 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.5 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.5; 2024 IF: 2.846 |
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Call Number |
UA @ admin @ c:irua:205512 |
Serial |
9181 |
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Author |
Xiao, H.; Wen, H.; Xu, W.; Cheng, Y.; Zhang, J.; Cheng, X.; Xiao, Y.; Ding, L.; Li, H.; He, B.; Peeters, F.M. |
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Title |
Terahertz magneto-optical properties of Nitrogen-doped diamond |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
Infrared physics and technology |
Abbreviated Journal |
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Volume |
138 |
Issue |
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Pages |
105237-105239 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Nitrogen-doped diamond (N-D) is one of the most important carbon-based electronic and optical materials. Here we study the terahertz (THz) magneto-optical (MO) properties of N-D grown by microwave plasma-enhanced chemical vapor deposition. The optical microscope, SEM, XRD, Raman spectrum, FTIR spectroscopy and XPS are used for the characterization of N-D samples. Applying THz time-domain spectroscopy (TDS), in combination with the polarization test and the presence of magnetic field in Faraday geometry, THz MO transmissions through N-D are measured from 0 to 8 T at 80 K. The complex right- and left-handed circular transmission coefficients and MO conductivities for N-D are obtained accordingly. Through fitting the experimental results with theoretical formulas of the dielectric constant and MO conductivities for an electron gas, we are able to determine magneto-optically the key electronic parameters of N-D, such as the static dielectric constant epsilon b, the electron density ne, the electronic relaxation time tau, the electronic localization factor alpha and, particularly, the effective electron mass m* obtained under non-resonant condition. The dependence of these parameters upon magnetic field is examined and analyzed. We find that the MO conductivities of N-D can be described rightly by the MO Drude-Smith formulas developed by us previously. It is shown that N-doping and the presence of the magnetic field can lead towards the larger epsilon b and heavier m* in diamond, while ne/tau/alpha in N-D decreases/increases/decreases with increasing magnetic field. The results obtained from this work are benefit to us in gaining an in-depth understanding of the electronic and optoelectronic properties of N-D. |
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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 |
001200173100001 |
Publication Date |
2024-02-15 |
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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 |
1350-4495 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.3 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.3; 2024 IF: 1.713 |
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Call Number |
UA @ admin @ c:irua:205523 |
Serial |
9178 |
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| Permanent link to this record |
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Author |
Moura, V.N.; Chaves, A.; Peeters, F.M.; Milošević, M.V. |
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Title |
McMillan-Ginzburg-Landau theory of singularities and discommensurations in charge density wave states of transition metal dichalcogenides |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Physical review B |
Abbreviated Journal |
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Volume |
109 |
Issue |
9 |
Pages |
094507-94511 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The McMillan-Ginzburg-Landau (MGL) model for charge density waves (CDW) is employed in a systematic phenomenological study of the different phases that have been probed in recent experiments involving transition metal dichalcogenides. We implemented an efficient imaginary time evolution method to solve the MGL equations, which enabled us to investigate the role of different coupling parameters on the CDW patterns and to perform calculations with different energy functionals that lead to several experimentally observed singularities in the CDW phase profiles. In particular, by choosing the appropriate energy functionals, we were able to obtain phases that go beyond the well-known periodic phase slips (discommensurations), exhibiting also topological defects (i.e., vortex-antivortex pairs), domain walls where the CDW order parameter is suppressed, and even CDW with broken rotational symmetry. Finally, we briefly discuss the effect of these different CDW phases on the profile and critical temperature of the competing superconducting state. |
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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 |
001199651500001 |
Publication Date |
2024-03-11 |
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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 |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.7 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.7; 2024 IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:205491 |
Serial |
9158 |
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| Permanent link to this record |
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Author |
Wang, J.; Zhao, W.-S.; Hu, Y.; Filho, R.N.C.; Peeters, F.M. |
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Title |
Charged vacancy in graphene : interplay between Landau levels and atomic collapse resonances |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Physical review B |
Abbreviated Journal |
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Volume |
109 |
Issue |
10 |
Pages |
104103-104106 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The interplay between a magnetic field and the Coulomb potential from a charged vacancy on the electron states in graphene is investigated within the tight-binding model. The Coulomb potential removes locally Landau level degeneracy, while the vacancy introduces a satellite level next to the normal Landau level. These satellite levels are found throughout the positive-energy region, but in the negative-energy region, they turn into atomic collapse resonances. Crossings between Landau levels with different angular quantum number m are found. Unlike the point impurity system in which an anticrossing occurs between Landau levels of the same m, in this work anticrossing is found between the normal Landau level and the vacancy-induced level. The atomic collapse resonance hybridizes with the Landau levels. The charge at which the lowest Landau level m = -1, N = 1 crosses E = 0 increases with enhancing magnetic field. A Landau level scaling anomaly occurs when the charge is larger than the critical charge beta 0.6 and this critical charge is independent of the magnetic field. |
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Address |
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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 |
001199561900008 |
Publication Date |
2024-03-04 |
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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 |
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 |
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Notes |
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Approved |
Most recent IF: 3.7; 2024 IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:205508 |
Serial |
9137 |
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| Permanent link to this record |
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Author |
Borms, L.; Multani, M.; Bachus, K.; Dams, Y.; Brusselaers, J.; Van Passel, S. |
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Title |
Using natural language processing to monitor circular activities and employment |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Sustainable Production and Consumption |
Abbreviated Journal |
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Volume |
46 |
Issue |
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Pages |
42-53 |
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Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM); Herman Deleeck Centre for Social Policy |
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Abstract |
In Europe, NACE codes are used for the official classification of sectors, however, the circular economy is not sufficiently captured in this classification. Therefore, this paper improves previous attempts for defining circular activities and jobs by web scraping techniques applied to each company in Belgium. We analyze their first, second, and third official NACE codes and compare these to the NACE codes they should have been allocated to according to the web scraping data. Subsequently, we calculate circularity scores for every sector to construct an indicator for the number of circular companies and jobs. The results show that the number of circular companies is lower than the baseline from official statistics when we only consider the companies' first and main NACE code. The estimates are higher than the baseline when we also take the second and third NACE codes into account and the estimated number of circular jobs is far higher than the baseline. This research upgrades previous classifications of circular sectors and demonstrates how web scraping and novel data might improve our understanding and capacity to build data. Based on the results in this paper, we recommend a uniform data collection such as reporting standards, and an inclusion of all circular strategies in sectoral classifications. |
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Corporate Author |
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Place of Publication |
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Editor |
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Language |
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Wos |
001198897900001 |
Publication Date |
2024-02-15 |
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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 |
|
Series Issue |
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Edition |
|
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| |
ISSN |
2352-5509 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
12.1 |
Times cited |
|
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 12.1; 2024 IF: NA |
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Call Number |
UA @ admin @ c:irua:204552 |
Serial |
9241 |
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| Permanent link to this record |
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Author |
Clavel, J.; Lembrechts, J.; Lenoir, J.; Haider, S.; McDougall, K.; Nunez, M.A.; Alexander, J.; Barros, A.; Milbau, A.; Seipel, T.; Pauchard, A.; Fuentes-Lillo, E.; Backes, A.R.; Dar, P.; Reshi, Z.A.; Aleksanyan, A.; Zong, S.; Sierra, J.R.A.; Aschero, V.; Verbruggen, E.; Nijs, I. |
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Title |
Roadside disturbance promotes plant communities with arbuscular mycorrhizal associations in mountain regions worldwide |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
Ecography |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
e07051-14 |
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Keywords |
A1 Journal article; Plant and Ecosystems (PLECO) – Ecology in a time of change |
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Abstract |
We assessed the impact of road disturbances on the dominant mycorrhizal types in ecosystems at the global level and how this mechanism can potentially lead to lasting plant community changes. We used a database of coordinated plant community surveys following mountain roads from 894 plots in 11 mountain regions across the globe in combination with an existing database of mycorrhizal-plant associations in order to approximate the relative abundance of mycorrhizal types in natural and disturbed environments. Our findings show that roadside disturbance promotes the cover of plants associated with arbuscular mycorrhizal (AM) fungi. This effect is especially strong in colder mountain environments and in mountain regions where plant communities are dominated by ectomycorrhizal (EcM) or ericoid-mycorrhizal (ErM) associations. Furthermore, non-native plant species, which we confirmed to be mostly AM plants, are more successful in environments dominated by AM associations. These biogeographical patterns suggest that changes in mycorrhizal types could be a crucial factor in the worldwide impact of anthropogenic disturbances on mountain ecosystems. Indeed, roadsides foster AM-dominated systems, where AM-fungi might aid AM-associated plant species while potentially reducing the biotic resistance against invasive non-native species, often also associated with AM networks. Restoration efforts in mountain ecosystems will have to contend with changes in the fundamental make-up of EcM- and ErM plant communities induced by roadside disturbance. |
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Corporate Author |
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Place of Publication |
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Editor |
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Language |
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Wos |
001198654900001 |
Publication Date |
2024-04-09 |
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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 |
|
Series Issue |
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Edition |
|
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| |
ISSN |
0906-7590 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
5.9 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 5.9; 2024 IF: 4.902 |
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Call Number |
UA @ admin @ c:irua:205605 |
Serial |
9224 |
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| Permanent link to this record |
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Author |
Parrilla, M.; Sena-Torralba, A.; Steijlen, A.; Morais, S.; Maquieira, Á.; De Wael, K. |
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Title |
A 3D-printed hollow microneedle-based electrochemical sensing device for in situ plant health monitoring |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
Biosensors and bioelectronics |
Abbreviated Journal |
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Volume |
251 |
Issue |
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Pages |
116131-116139 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
Plant health monitoring is devised as a new concept to elucidate in situ physiological processes. The need for increased food production to nourish the growing global population is inconsistent with the dramatic impact of climate change, which hinders crop health and exacerbates plant stress. In this context, wearable sensors play a crucial role in assessing plant stress. Herein, we present a low-cost 3D-printed hollow microneedle array (HMA) patch as a sampling device coupled with biosensors based on screen-printing technology, leading to affordable analysis of biomarkers in the plant fluid of a leaf. First, a refinement of the 3D-printing method showed a tip diameter of 25.9 ± 3.7 μm with a side hole diameter on the microneedle of 228.2 ± 18.6 μm using an affordable 3D printer (<500 EUR). Notably, the HMA patch withstanded the forces exerted by thumb pressing (i.e. 20-40 N). Subsequently, the holes of the HMA enabled the fluid extraction tested in vitro and in vivo in plant leaves (i.e. 13.5 ± 1.1 μL). A paper-based sampling strategy adapted to the HMA allowed the collection of plant fluid. Finally, integrating the sampling device onto biosensors facilitated the in situ electrochemical analysis of plant health biomarkers (i.e. H2O2, glucose, and pH) and the electrochemical profiling of plants in five plant species. Overall, this electrochemical platform advances precise and versatile sensors for plant health monitoring. The wearable device can potentially improve precision farming practices, addressing the critical need for sustainable and resilient agriculture in changing environmental conditions. |
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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 |
001198047000001 |
Publication Date |
2024-02-13 |
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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 |
0956-5663 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
12.6 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 12.6; 2024 IF: 7.78 |
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Call Number |
UA @ admin @ c:irua:203204 |
Serial |
8998 |
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| Permanent link to this record |
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Author |
Kashiwar, A.; Arseenko, M.; Simar, A.; Idrissi, H. |
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Title |
On the role of microstructural defects on precipitation, damage, and healing behavior in a novel Al-0.5Mg2Si alloy |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Materials & design |
Abbreviated Journal |
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Volume |
239 |
Issue |
|
Pages |
112765-112769 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
A recently developed healable Al-Mg2Si designed by the programmed damage and repair (PDR) strategy is studied considering the role microstructural defects play on precipitation, damage, and healing. The alloy incorporates sacrificial Mg2Si particles that precipitate after friction stir processing (FSP). They act as damage localization sites and are healable based on the solid-state diffusion of Al-matrix. A combination of different transmission electron microscopy (TEM) imaging techniques enabled the visualization and quantification of various crystallographic defects and the spatial distribution of Mg2Si precipitates. Intragrain nucleation is found to be the dominant mechanism for precipitation during FSP whereas grain boundaries and subgrain boundaries mainly lead to coarsening of the precipitates. The statistical and spatial analyses of the damaged particles have shown particle fracture as the dominant damage mechanism which is strongly dependent on the size and aspect ratio of the particles whereas the damage was not found to depend on the location of the precipitates within the matrix. The damaged particles are associated with dislocations accumulated around them. The interplay of these dislocations is directly visualized during healing based on in situ TEM heating which revealed recovery in the matrix as an operative mechanism during the diffusion healing of the PDR alloy. |
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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 |
001194110200001 |
Publication Date |
2024-02-17 |
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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 |
0264-1275; 1873-4197 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
8.4 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 8.4; 2024 IF: 4.364 |
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Call Number |
UA @ admin @ c:irua:203298 |
Serial |
9068 |
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| Permanent link to this record |
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Author |
Li, C.; Lyu, Y.-Y.; Yue, W.-C.; Huang, P.; Li, H.; Li, T.; Wang, C.-G.; Yuan, Z.; Dong, Y.; Ma, X.; Tu, X.; Tao, T.; Dong, S.; He, L.; Jia, X.; Sun, G.; Kang, L.; Wang, H.; Peeters, F.M.; Milošević, M.V.; Wu, P.; Wang, Y.-L. |
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Title |
Unconventional superconducting diode effects via antisymmetry and antisymmetry breaking |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Nano letters |
Abbreviated Journal |
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Volume |
24 |
Issue |
14 |
Pages |
4108-4116 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Symmetry breaking plays a pivotal role in unlocking intriguing properties and functionalities in material systems. For example, the breaking of spatial and temporal symmetries leads to a fascinating phenomenon: the superconducting diode effect. However, generating and precisely controlling the superconducting diode effect pose significant challenges. Here, we take a novel route with the deliberate manipulation of magnetic charge potentials to realize unconventional superconducting flux-quantum diode effects. We achieve this through suitably tailored nanoengineered arrays of nanobar magnets on top of a superconducting thin film. We demonstrate the vital roles of inversion antisymmetry and its breaking in evoking unconventional superconducting effects, namely a magnetically symmetric diode effect and an odd-parity magnetotransport effect. These effects are nonvolatilely controllable through in situ magnetization switching of the nanobar magnets. Our findings promote the use of antisymmetry (breaking) for initiating unconventional superconducting properties, paving the way for exciting prospects and innovative functionalities in superconducting electronics. |
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Address |
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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 |
001193010700001 |
Publication Date |
2024-03-27 |
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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 |
1530-6984 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
10.8 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 10.8; 2024 IF: 12.712 |
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Call Number |
UA @ admin @ c:irua:205553 |
Serial |
9180 |
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| Permanent link to this record |
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Author |
Deben, C.; Freire Boullosa, L.; Rodrigues Fortes, F.; Cardenas De La Hoz, E.; Le Compte, M.; Seghers, S.; Peeters, M.; Vanlanduit, S.; Lin, A.; Dijkstra, K.K.; Van Schil, P.; Hendriks, J.M.H.; Prenen, H.; Roeyen, G.; Lardon, F.; Smits, E. |
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Title |
Auranofin repurposing for lung and pancreatic cancer : low CA12 expression as a marker of sensitivity in patient-derived organoids, with potentiated efficacy by AKT inhibition |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
Journal of Experimental and Clinical Cancer Research |
Abbreviated Journal |
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Volume |
43 |
Issue |
1 |
Pages |
88-15 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Center for Oncological Research (CORE) |
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Abstract |
Background This study explores the repurposing of Auranofin (AF), an anti-rheumatic drug, for treating non-small cell lung cancer (NSCLC) adenocarcinoma and pancreatic ductal adenocarcinoma (PDAC). Drug repurposing in oncology offers a cost-effective and time-efficient approach to developing new cancer therapies. Our research focuses on evaluating AF's selective cytotoxicity against cancer cells, identifying RNAseq-based biomarkers to predict AF response, and finding the most effective co-therapeutic agents for combination with AF. Methods Our investigation employed a comprehensive drug screening of AF in combination with eleven anticancer agents in cancerous PDAC and NSCLC patient-derived organoids (n = 7), and non-cancerous pulmonary organoids (n = 2). Additionally, we conducted RNA sequencing to identify potential biomarkers for AF sensitivity and experimented with various drug combinations to optimize AF's therapeutic efficacy. Results The results revealed that AF demonstrates a preferential cytotoxic effect on NSCLC and PDAC cancer cells at clinically relevant concentrations below 1 µM, sparing normal epithelial cells. We identified Carbonic Anhydrase 12 (CA12) as a significant RNAseq-based biomarker, closely associated with the NF-κB survival signaling pathway, which is crucial in cancer cell response to oxidative stress. Our findings suggest that cancer cells with low CA12 expression are more susceptible to AF treatment. Furthermore, the combination of AF with the AKT inhibitor MK2206 was found to be particularly effective, exhibiting potent and selective cytotoxic synergy, especially in tumor organoid models classified as intermediate responders to AF, without adverse effects on healthy organoids. Conclusion Our research offers valuable insights into the use of AF for treating NSCLC and PDAC. It highlights AF's cancer cell selectivity, establishes CA12 as a predictive biomarker for AF sensitivity, and underscores the enhanced efficacy of AF when combined with MK2206 and other therapeutics. These findings pave the way for further exploration of AF in cancer treatment, particularly in identifying patient populations most likely to benefit from its use and in optimizing combination therapies for improved patient outcomes. |
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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 |
001190581500001 |
Publication Date |
2024-03-22 |
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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 |
1756-9966 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
|
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:204924 |
Serial |
9136 |
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Author |
Smets, B.; Boschker, H.T.S.; Wetherington, M.T.; Lelong, G.; Hidalgo-Martinez, S.; Polerecky, L.; Nuyts, G.; De Wael, K.; Meysman, F.J.R. |
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Title |
Multi-wavelength Raman microscopy of nickel-based electron transport in cable bacteria |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
Frontiers in microbiology |
Abbreviated Journal |
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Volume |
15 |
Issue |
|
Pages |
1208033-16 |
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Keywords |
A1 Journal article |
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Abstract |
Cable bacteria embed a network of conductive protein fibers in their cell envelope that efficiently guides electron transport over distances spanning up to several centimeters. This form of long-distance electron transport is unique in biology and is mediated by a metalloprotein with a sulfur-coordinated nickel (Ni) cofactor. However, the molecular structure of this cofactor remains presently unknown. Here, we applied multi-wavelength Raman microscopy to identify cell compounds linked to the unique cable bacterium physiology, combined with stable isotope labeling, and orientation-dependent and ultralow-frequency Raman microscopy to gain insight into the structure and organization of this novel Ni-cofactor. Raman spectra of native cable bacterium filaments reveal vibrational modes originating from cytochromes, polyphosphate granules, proteins, as well as the Ni-cofactor. After selective extraction of the conductive fiber network from the cell envelope, the Raman spectrum becomes simpler, and primarily retains vibrational modes associated with the Ni-cofactor. These Ni-cofactor modes exhibit intense Raman scattering as well as a strong orientation-dependent response. The signal intensity is particularly elevated when the polarization of incident laser light is parallel to the direction of the conductive fibers. This orientation dependence allows to selectively identify the modes that are associated with the Ni-cofactor. We identified 13 such modes, some of which display strong Raman signals across the entire range of applied wavelengths (405–1,064 nm). Assignment of vibrational modes, supported by stable isotope labeling, suggest that the structure of the Ni-cofactor shares a resemblance with that of nickel bis(1,2-dithiolene) complexes. Overall, our results indicate that cable bacteria have evolved a unique cofactor structure that does not resemble any of the known Ni-cofactors in biology. |
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Place of Publication |
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Language |
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Wos |
001189511900001 |
Publication Date |
2024-03-08 |
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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 |
1664-302x |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
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:205115 |
Serial |
9214 |
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| Permanent link to this record |
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Author |
Vermeulen, B.B.; Monteiro, M.G.; Giuliano, D.; Sorée, B.; Couet, S.; Temst, K.; Nguyen, V.D. |
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Title |
Magnetization-switching dynamics driven by chiral coupling |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Physical review applied |
Abbreviated Journal |
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Volume |
21 |
Issue |
2 |
Pages |
024050-11 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The Dzyaloshinskii-Moriya interaction (DMI) is known to play a central role in stabilizing chiral spin textures such as skyrmions and domain walls (DWs). Electrical manipulation of DW and skyrmion motion offers possibilities for next-generation, scalable and energy-efficient spintronic devices. However, achieving the full potential of these nanoscale devices requires overcoming several challenges, including reliable electrical write and read techniques for these magnetic objects, and addressing pinning and Joule-heating concerns. Here, through micromagnetic simulations and analytical modeling, we show that DMI can directly induce magnetization switching of a nanomagnet with perpendicular magnetic anisotropy (PMA). We find that the switching is driven by the interplay between the DMI-induced magnetic frustration and the PMA. By introducing magnetic tunnel junctions to electrically access and control the magnetization direction of the PMA nanomagnet, we first show the potential of this concept to enable high-density fieldfree spin-orbit torque magnetic random-access memory. Ultimately, we demonstrate that it offers a way of transferring and processing spin information for logic operation without relying on current-driven DW or skyrmion motion. |
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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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Language |
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Wos |
001187487900001 |
Publication Date |
2024-02-26 |
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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 |
2331-7019 |
ISBN |
|
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 |
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Notes |
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Approved |
Most recent IF: 4.6; 2024 IF: 4.808 |
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Call Number |
UA @ admin @ c:irua:205518 |
Serial |
9157 |
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| Permanent link to this record |
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Author |
Gogoi, A.; Neyts, E.C.; Peeters, F.M. |
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Title |
Reduction-enhanced water flux through layered graphene oxide (GO) membranes stabilized with H3O+ and OH- ions |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
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| |
Volume |
26 |
Issue |
13 |
Pages |
10265-10272 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Modelling and Simulation in Chemistry (MOSAIC) |
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Abstract |
Graphene oxide (GO) is one of the most promising candidates for next generation of atomically thin membranes. Nevertheless, one of the major issues for real world application of GO membranes is their undesirable swelling in an aqueous environment. Recently, we demonstrated that generation of H3O+ and OH- ions (e.g., with an external electric field) in the interlayer gallery could impart aqueous stability to the layered GO membranes (A. Gogoi, ACS Appl. Mater. Interfaces, 2022, 14, 34946). This, however, compromises the water flux through the membrane. In this study, we report on reducing the GO nanosheets as a solution to this issue. With the reduction of the GO nanosheets, the water flux through the layered GO membrane initially increases and then decreases again beyond a certain degree of reduction. Here, two key factors are at play. Firstly, the instability of the H-bond network between water molecules and the GO nanosheets, which increases the water flux. Secondly, the pore size reduction in the interlayer gallery of the membranes, which decreases the water flux. We also observe a significant improvement in the salt rejection of the membranes, due to the dissociation of water molecules in the interlayer gallery. In particular, for the case of 10% water dissociation, the water flux through the membranes can be enhanced without altering its selectivity. This is an encouraging observation as it breaks the traditional tradeoff between water flux and salt rejection of a membrane. |
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Address |
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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 |
001186465400001 |
Publication Date |
2024-03-15 |
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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 |
|
Series Issue |
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Edition |
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| |
ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
3.3 |
Times cited |
|
Open Access |
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Notes |
|
Approved |
Most recent IF: 3.3; 2024 IF: 4.123 |
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Call Number |
UA @ admin @ c:irua:204792 |
Serial |
9168 |
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| Permanent link to this record |
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Author |
Manaigo, F.; Bahnamiri, O.S.; Chatterjee, A.; Panepinto, A.; Krumpmann, A.; Michiels, M.; Bogaerts, A.; Snyders, R. |
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Title |
Electrical stability and performance of a nitrogen-oxygen atmospheric pressure gliding arc plasma |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
ACS Sustainable Chemistry and Engineering |
Abbreviated Journal |
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| |
Volume |
12 |
Issue |
13 |
Pages |
5211-5219 |
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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 |
Nonthermal plasmas are currently being studied as a green alternative to the Haber-Bosch process, which is, today, the dominant industrial process allowing for the fixation of nitrogen and, as such, a fundamental component for the production of nitrogen-based industrial fertilizers. In this context, the gliding arc plasma (GAP) is considered a promising choice among nonthermal plasma options. However, its stability is still a key parameter to ensure industrial transfer of the technology. Nowadays, the conventional approach to stabilize this plasma process is to use external resistors. Although this indeed allows for an enhancement of the plasma stability, very little is reported about how it impacts the process efficiency, both in terms of NOx yield and energy cost. In this work, this question is specifically addressed by studying a DC-powered GAP utilized for nitrogen fixation into NOx at atmospheric pressure stabilized by variable external resistors. Both the performance and the stability of the plasma are reported as a function of the utilization of the resistors. The results confirm that while the use of a resistor indeed allows for a strong stabilization of the plasma without impacting the NOx yield, especially at high plasma current, it dramatically impacts the energy cost of the process, which increases from 2.82 to 7.9 MJ/mol. As an alternative approach, we demonstrate that the replacement of the resistor by an inductor is promising since it allows for decent stabilization of the plasma, while it does not affect either the energy cost of the process or the NOx yield. |
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Wos |
001186347900001 |
Publication Date |
2024-03-16 |
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ISSN |
2168-0485 |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
8.4 |
Times cited |
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Open Access |
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Approved |
Most recent IF: 8.4; 2024 IF: 5.951 |
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Call Number |
UA @ admin @ c:irua:204774 |
Serial |
9146 |
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Author |
Tschulkow, M.; Pizzol, M.; Compernolle, T.; Van den Bosch, S.; Sels, B.; Van Passel, S. |
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Title |
The environmental impacts of the lignin-first biorefineries : a consequential life cycle assessment approach |
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A1 Journal article |
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Year |
2024 |
Publication |
Resources, conservation and recycling |
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Volume |
204 |
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Pages |
107466-107469 |
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Keywords |
A1 Journal article; Engineering Management (ENM) |
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Abstract |
The emerging reductive catalytic fractionation biorefinery which is currently under development aims to convert woody biomass efficiently into high-value products. Despite its potential, the environmental consequences of its implementation are not well known. Therefore, a forward-looking consequential life cycle assessment examines greenhouse gas emissions associated with its products (pulp, phenolic monomers, and oligomers) compared to alternative market options. Findings indicate that current greenhouse gas emissions exceed those of the existing alternatives, with by-products and the gaseous waste stream as major contributors. Process adaption to (i) produce higher-valued products (bleached pulps, phenols, and propylene) and (ii) incinerate gaseous waste stream for energy are proposed, potentially reducing emissions by up to 50 %, outperforming alternative options. Compared to land-based transportation, waterways can increase feedstock availability by up to 1000 km without an increase in emissions. In conclusion, the consequential approach provides valuable insights for enhancing and optimizing the environmental performance of the process. |
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Wos |
001186282000001 |
Publication Date |
2024-02-14 |
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ISSN |
0921-3449 |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
13.2 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 13.2; 2024 IF: 3.313 |
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Call Number |
UA @ admin @ c:irua:205493 |
Serial |
9234 |
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Author |
Gios, E.; Verbruggen, E.; Audet, J.; Burns, R.; Butterbach-Bahl, K.; Espenberg, M.; Fritz, C.; Glatzel, S.; Jurasinski, G.; Larmola, T.; Mander, U.; Nielsen, C.; Rodriguez, A.F.; Scheer, C.; Zak, D.; Silvennoinen, H.M. |
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Title |
Unraveling microbial processes involved in carbon and nitrogen cycling and greenhouse gas emissions in rewetted peatlands by molecular biology |
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A1 Journal article |
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Year |
2024 |
Publication |
Biogeochemistry |
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A1 Journal article; Plant and Ecosystems (PLECO) – Ecology in a time of change |
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Abstract |
Restoration of drained peatlands through rewetting has recently emerged as a prevailing strategy to mitigate excessive greenhouse gas emissions and re-establish the vital carbon sequestration capacity of peatlands. Rewetting can help to restore vegetation communities and biodiversity, while still allowing for extensive agricultural management such as paludiculture. Belowground processes governing carbon fluxes and greenhouse gas dynamics are mediated by a complex network of microbial communities and processes. Our understanding of this complexity and its multi-factorial controls in rewetted peatlands is limited. Here, we summarize the research regarding the role of soil microbial communities and functions in driving carbon and nutrient cycling in rewetted peatlands including the use of molecular biology techniques in understanding biogeochemical processes linked to greenhouse gas fluxes. We emphasize that rapidly advancing molecular biology approaches, such as high-throughput sequencing, are powerful tools helping to elucidate the dynamics of key biogeochemical processes when combined with isotope tracing and greenhouse gas measuring techniques. Insights gained from the gathered studies can help inform efficient monitoring practices for rewetted peatlands and the development of climate-smart restoration and management strategies. |
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Wos |
001185747700001 |
Publication Date |
2024-03-16 |
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ISSN |
0168-2563; 1573-515x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 4; 2024 IF: 3.428 |
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Call Number |
UA @ admin @ c:irua:204875 |
Serial |
9239 |
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