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Author |
Van Echelpoel, R.; De Wael, K. |
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Title |
Voltammetric drug testing makes sense at the border |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Nature Reviews Chemistry |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-2 |
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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 |
The European BorderSens project leverages voltammetric sensors, developed with end-users' input, to rapidly and accurately detect illicit drugs. By embracing practicalities and validation, this technology has the potential to combat the illicit drug problem. |
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Wos |
001142000900001 |
Publication Date |
2024-01-12 |
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Series Issue |
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Edition |
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ISSN |
2397-3358 |
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UA library record; WoS full record |
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Not_Open_Access |
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no |
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Call Number  |
UA @ admin @ c:irua:202646 |
Serial |
9112 |
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Author |
Jorissen, B.; Fernandes, L. |
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Title |
Simple systems, complicated physics : an interview with Nir Navon |
Type |
Editorial |
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Year |
2023 |
Publication |
Belgian journal of physics |
Abbreviated Journal |
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Volume |
1 |
Issue |
6 |
Pages |
4-5 |
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Keywords |
Editorial; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT) |
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Abstract |
The EPS Antwerp Young Minds (AYM) invited Prof. Nir Navon (Yale University) to hold a colloquium for the physics department. For an audience of students and researchers, Prof. Navon presented recent advances in ultracold quantum matter and research from his own lab. His experimental work paves the way to make toy models used by theorists a reality. We sat down afterwards to discuss ultracold physics, box traps and setting up a lab from scratch. |
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Additional Links |
UA library record |
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Open Access |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:202673 |
Serial |
9090 |
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Author |
Kovács, A.; Janssens, N.; Mielants, M.; Cornet, I.; Neyts, E.C.; Billen, P. |
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Title |
Biocatalyzed vinyl laurate transesterification in natural deep eutectic solvents |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Waste and biomass valorization |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-12 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Biochemical Wastewater Valorization & Engineering (BioWaVE); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
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Abstract |
Purpose Natural deep eutectic solvents (NADES) represent a green alternative to conventional organic solvents as reaction medium, offering more benign properties. To efficiently design NADES for biocatalysis, a better understanding of their effect on these reactions is needed. We hypothesize that this effect can be described by separately considering (1) the solvent interactions with the substrates, (2) the solvent viscosities and (3) the enzyme stability in NADES. Methods We investigated the effect of substrate solvation and viscosity on the reaction rate; and the stability of the enzyme in NADES. To this end, we monitored the conversion over time of the transesterification of vinyl laurate with 1- butanol by the lipase enzyme Candida antarctica B in NADES of different compounds and molar ratios. Results The initial reaction rate is higher in most NADES ( varying between 1.14 and 15.07 mu mol min(-1) mg(-1)) than in the reference n-hexane (4.0 mu mol min(-1) mg(-1))), but no clear relationship between viscosity and initial reaction rate was found. The increased reaction rate is most likely related to the solvation of the substrate due to a change in the activation energy of the reaction or a change in the conformation of the substrate. The enzyme retained part of its activity after the first 2 h of reaction (on average 20 % of the substrate reacted in the 2-24 h period). Enzyme incubation in ethylene glycol-based NADES resulted in a reduced reaction rate ( 15.07 vs. 3.34 mu mol min(-1) mg(-1)), but this may also be due to slow dissolution of the substrate. Conclusions The effect of viscosity seems to be marginal next to the effect of solvation and possible enzyme-NADES interaction. The enzyme retains some of its activity during the 24-hour measurements, but the enzyme incubation experiments did not yield accurate, comparable values. [GRAPHICS] . |
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Wos |
001117290800003 |
Publication Date |
2023-12-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1877-2641; 1877-265x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:202709 |
Serial |
9005 |
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| Permanent link to this record |
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Author |
Zaripov, A.A.; Khalilov, U.B.; Ashurov, K.B. |
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Title |
Synergism of the initial stage of removal of dielectric materials during electrical erosion processing in electrolytes |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Surface engineering and applied electrochemistry |
Abbreviated Journal |
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Volume |
59 |
Issue |
6 |
Pages |
712-718 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Ceramics and composites, many of whose physicochemical properties significantly exceed similar properties of metals and their alloys, are processed qualitatively mainly by the electroerosion method. Despite the existing works, the mechanism of the initial stage of the removal of materials has not yet been identified. For a comprehensive understanding of the mechanism of the removal of dielectrics, a new model is proposed based on the experimental results obtained on an improved electroerosion installation. It was revealed that the initial stage of the removal of a dielectric material consists of three successive stages that are associated with the synergistic effect on the process of the anionic group of electrolytes, plasma flare, and the cavitation shock. This makes it possible to better understand the mechanism of the removal of composite and ceramic materials, which should contribute to ensuring the machinability of those materials and their wide use in promising technologies. |
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Wos |
001126070700009 |
Publication Date |
2023-12-14 |
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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 |
1068-3755; 1934-8002 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Times cited |
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Open Access |
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no |
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Call Number |
UA @ admin @ c:irua:202754 |
Serial |
9102 |
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Author |
Linek, J.; Wyszynski, M.; Müller, B.; Korinski, D.; Milošević, M.V.; Kleiner, R.; Koelle, D. |
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Title |
On the coupling of magnetic moments to superconducting quantum interference devices |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Superconductor science and technology |
Abbreviated Journal |
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Volume |
37 |
Issue |
2 |
Pages |
025010-25012 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We investigate the coupling factor phi( mu) that quantifies the magnetic flux phi per magnetic moment mu of a point-like magnetic dipole that couples to a superconducting quantum interference device (SQUID). Representing the dipole by a tiny current-carrying (Amperian) loop, the reciprocity of mutual inductances of SQUID and Amperian loop provides an elegant way of calculating phi(mu)(r,e(mu)) vs. position r and orientation e(mu) of the dipole anywhere in space from the magnetic field B-J(r) produced by a supercurrent circulating in the SQUID loop. We use numerical simulations based on London and Ginzburg-Landau theory to calculate phi (mu) from the supercurrent density distributions in various superconducting loop geometries. We treat the far-field regime ( r greater than or similar to a= inner size of the SQUID loop) with the dipole placed on (oriented along) the symmetry axis of circular or square shaped loops. We compare expressions for phi (mu) from simple filamentary loop models with simulation results for loops with finite width w (outer size A > alpha), thickness d and London penetration depth lambda(L )and show that for thin ( d << alpha ) and narrow (w < alpha) loops the introduction of an effective loop size a(eff) in the filamentary loop-model expressions results in good agreement with simulations. For a dipole placed right in the center of the loop, simulations provide an expression phi(mu)(a,A,d,lambda(L)) that covers a wide parameter range. In the near-field regime (dipole centered at small distance z above one SQUID arm) only coupling to a single strip representing the SQUID arm has to be considered. For this case, we compare simulations with an analytical expression derived for a homogeneous current density distribution, which yields excellent agreement for lambda(L)>w,d . Moreover, we analyze the improvement of phi(mu) provided by the introduction of a narrow constriction in the SQUID arm below the magnetic dipole. |
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Wos |
001145725500001 |
Publication Date |
2024-01-04 |
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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 |
0953-2048 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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no |
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Call Number |
UA @ admin @ c:irua:202759 |
Serial |
9067 |
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Author |
Hugenschmidt, M.; Jannis, D.; Kadu, A.A.; Grünewald, L.; De Marchi, S.; Perez-Juste, J.; Verbeeck, J.; Van Aert, S.; Bals, S. |
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Title |
Low-dose 4D-STEM tomography for beam-sensitive nanocomposites |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
ACS materials letters |
Abbreviated Journal |
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Volume |
6 |
Issue |
1 |
Pages |
165-173 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Electron tomography is essential for investigating the three-dimensional (3D) structure of nanomaterials. However, many of these materials, such as metal-organic frameworks (MOFs), are extremely sensitive to electron radiation, making it difficult to acquire a series of projection images for electron tomography without inducing electron-beam damage. Another significant challenge is the high contrast in high-angle annular dark field scanning transmission electron microscopy that can be expected for nanocomposites composed of a metal nanoparticle and an MOF. This strong contrast leads to so-called metal artifacts in the 3D reconstruction. To overcome these limitations, we here present low-dose electron tomography based on four-dimensional scanning transmission electron microscopy (4D-STEM) data sets, collected using an ultrafast and highly sensitive direct electron detector. As a proof of concept, we demonstrate the applicability of the method for an Au nanostar embedded in a ZIF-8 MOF, which is of great interest for applications in various fields, including drug delivery. |
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Place of Publication |
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Language |
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Wos |
001141178500001 |
Publication Date |
2023-12-11 |
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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 |
2639-4979 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Notes |
This work was supported by the European Research Council (Grant 815128 REALNANO to S.B., Grant 770887 PICOMETRICS to S.V.A.). J.P.-J. and S.M. acknowledge financial support from the MCIN/AEI/10.13039/501100011033 (Grants No. PID2019-108954RB-I00) and EU Horizon 2020 research and innovation program under grant agreement no. 883390 (SERSing). J.V., S.B., S.V.A., and L.G. acknowledge funding from the Flemish government (iBOF-21-085 PERsist). |
Approved |
no |
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Call Number |
UA @ admin @ c:irua:202771 |
Serial |
9053 |
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Author |
Liu, J.; Xu, W.; Xiao, Y.M.; Ding, L.; Li, H.W.; Peeters, F.M. |
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Title |
Optical spectrum of n-type and p-type monolayer MoS₂ in the presence of proximity-induced interactions |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of applied physics |
Abbreviated Journal |
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Volume |
134 |
Issue |
22 |
Pages |
224301-224307 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In this paper, we examined the effects of proximity-induced interactions such as Rashba spin-orbit coupling and effective Zeeman fields (EZFs) on the optical spectrum of n-type and p-type monolayer (ML)-MoS2. The optical conductivity is evaluated using the standard Kubo formula under random-phase approximation by including the effective electron-electron interaction. It has been found that there exist two absorption peaks in n-type ML-MoS2 and two knife shaped absorptions in p-type ML-MoS2, which are contributed by the inter-subband spin-flip electronic transitions within conduction and valence bands at valleys K and K ' with a lifted valley degeneracy. The optical absorptions in n-type and p-type ML-MoS 2 occur in THz and infrared radiation regimes and the position, height, and shape of them can be effectively tuned by Rashba parameter, EZF parameters, and carrier density. The interesting theoretical predictions in this study would be helpful for the experimental observation of the optical absorption in infrared to THz bandwidths contributed by inter-subband spin-flip electronic transitions in a lifted valley degeneracy monolayer transition metal dichalcogenides system. The obtained results indicate that ML-MoS2 with the platform of proximity interactions make it a promising infrared and THz material for optics and optoelectronics. |
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Wos |
001135684400003 |
Publication Date |
2023-12-11 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
0021-8979; 1089-7550 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:202777 |
Serial |
9069 |
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Author |
Luo, Y.; He, Y.; Ding, Y.; Zuo, L.; Zhong, C.; Ma, Y.; Sun, M. |
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Title |
Defective biphenylene as high-efficiency hydrogen evolution catalysts |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
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Volume |
63 |
Issue |
2 |
Pages |
1136-1141 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Electrocatalysts play a pivotal role in advancing the application of water splitting for hydrogen production. This research unveils the potential of defective biphenylenes as high-efficiency catalysts for the hydrogen evolution reaction. Using first-principles simulations, we systematically investigated the structure, stability, and catalytic performance of defective biphenylenes. Our findings unveil that defect engineering significantly enhances the electrocatalytic activity for hydrogen evolution. Specifically, biphenylene with a double-vacancy defect exhibits an outstanding Gibbs free energy of -0.08 eV, surpassing that of Pt, accompanied by a remarkable exchange current density of -3.08 A cm(-2), also surpassing that of Pt. Furthermore, we find the preference for the Volmer-Heyrovsky mechanism in the hydrogen evolution reaction, with a low energy barrier of 0.80 eV. This research provides a promising avenue for developing novel metal-free electrocatalysts for water splitting with earth-abundant carbon elements, making a significant step toward sustainable hydrogen production. |
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Place of Publication |
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Wos |
001143581300001 |
Publication Date |
2023-12-31 |
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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 |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Open Access |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:202780 |
Serial |
9018 |
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Author |
Dong, H.M.; Liang, H.P.; Tao, Z.H.; Duan, Y.F.; Milošević, M.V.; Chang, K. |
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Title |
Interface thermal conductivities induced by van der Waals interactions |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
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Volume |
26 |
Issue |
5 |
Pages |
4047-4051 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The interface heat transfer of two layers induced by van der Waals (vdW) contacts is theoretically investigated, based on first-principles calculations at low temperatures. The results suggest that out-of-plane acoustic phonons with low frequencies dominate the interface thermal transport due to the vdW interaction. The interface thermal conductivity is proportional to the cubic of temperature at very low temperatures, but becomes linearly proportional to temperature as temperature increases. We show that manipulating the strain alters vdW coupling, leading to increased interfacial thermal conductivity at the interface. Our findings provide valuable insights into the interface heat transport in vdW heterostructures and support further design and optimization of electronic and optoelectronic nanodevices based on vdW contacts. The heat transfer induced by van der Waals contacts is dominated by ZA phonons. The interface thermal conductivity is proportional to the cubic of temperature, but becomes linearly proportional to temperature as temperature increases. |
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Place of Publication |
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Language |
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Wos |
001142323400001 |
Publication Date |
2024-01-09 |
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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 |
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Series Issue |
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Edition |
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ISSN |
1463-9076; 1463-9084 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Times cited |
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Open Access |
Not_Open_Access |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:202795 |
Serial |
9050 |
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Author |
Liang, Z.; Batuk, M.; Orlandi, F.; Manuel, P.; Hadermann, J.; Hayward, M.A. |
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Title |
Disproportionation of Co2+ in the topochemically reduced oxide LaSrCoRuO₅ |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
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Volume |
63 |
Issue |
6 |
Pages |
e202313067-5 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Complex transition-metal oxides exhibit a wide variety of chemical and physical properties which are a strong function the local electronic states of the transition-metal centres, as determined by a combination of metal oxidation state and local coordination environment. Topochemical reduction of the double perovskite oxide, LaSrCoRuO6, using Zr, yields LaSrCoRuO5. This reduced phase contains an ordered array of apex-linked square-based pyramidal Ru3+O5, square-planar Co1+O4 and octahedral Co3+O6 units, consistent with the coordination-geometry driven disproportionation of Co2+. Coordination-geometry driven disproportionation of d(7) transition-metal cations (e.g. Rh2+, Pd3+, Pt3+) is common in complex oxides containing 4d and 5d metals. However, the weak ligand field experienced by a 3d transition-metal such as cobalt leads to the expectation that d(7+) Co2+ should be stable to disproportionation in oxide environments, so the presence of Co1+O4 and Co3+O6 units in LaSrCoRuO5 is surprising. Low-temperature measurements indicate LaSrCoRuO5 adopts a ferromagnetically ordered state below 120 K due to couplings between S=(1)/(2) Ru3+ and S=1 Co1+. |
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Place of Publication |
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Language |
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Wos |
001136579700001 |
Publication Date |
2023-12-13 |
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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 |
1433-7851; 0570-0833 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:202801 |
Serial |
9023 |
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Author |
Tran, T.T.; Lee, Y.; Roy, S.; Tran, T.U.; Kim, Y.; Taniguchi, T.; Watanabe, K.; Milošević, M.V.; Lim, S.C.; Chaves, A.; Jang, J.I.; Kim, J. |
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Title |
Synergetic enhancement of quantum yield and exciton lifetime of monolayer WS₂ by proximal metal plate and negative electric bias |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
ACS nano |
Abbreviated Journal |
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Volume |
18 |
Issue |
1 |
Pages |
220-228 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
The efficiency of light emission is a critical performance factor for monolayer transition metal dichalcogenides (1L-TMDs) for photonic applications. While various methods have been studied to compensate for lattice defects to improve the quantum yield (QY) of 1L-TMDs, exciton-exciton annihilation (EEA) is still a major nonradiative decay channel for excitons at high exciton densities. Here, we demonstrate that the combined use of a proximal Au plate and a negative electric gate bias (NEGB) for 1L-WS2 provides a dramatic enhancement of the exciton lifetime at high exciton densities with the corresponding QY enhanced by 30 times and the EEA rate constant decreased by 80 times. The suppression of EEA by NEGB is attributed to the reduction of the defect-assisted EEA process, which we also explain with our theoretical model. Our results provide a synergetic solution to cope with EEA to realize high-intensity 2D light emitters using TMDs. |
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Wos |
001139516800001 |
Publication Date |
2023-12-21 |
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Series Issue |
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Edition |
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ISSN |
1936-0851 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Notes |
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no |
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Call Number |
UA @ admin @ c:irua:202811 |
Serial |
9101 |
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| Permanent link to this record |
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Author |
Mayda, S.; Monico, L.; Krishnan, D.; De Meyer, S.; Cotte, M.; Garrevoet, J.; Falkenberg, G.; Sandu, I.C.A.; Partoens, B.; Lamoen, D.; Romani, A.; Miliani, C.; Verbeeck, J.; Janssens, K. |
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Title |
A combined experimental and computational approach to understanding CdS pigment oxidation in a renowned early 20th century painting |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Chemistry of materials |
Abbreviated Journal |
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Volume |
35 |
Issue |
24 |
Pages |
10403-10415 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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Abstract |
Cadmium sulfide (CdS)-based yellow pigments have been used in a number of early 20th century artworks, including The Scream series painted by Edvard Munch. Some of these unique paintings are threatened by the discoloration of these CdS-based yellow oil paints because of the oxidation of the original sulfides to sulfates. The experimental data obtained here prove that moisture and cadmium chloride compounds play a key role in promoting such oxidation. To clarify how these two factors effectively prompt the process, we studied the band alignment between CdS, CdCl2, and Cd-(OH)Cl as well as the radicals center dot OH and H3O center dot by density functional theory (DFT) methods. Our results show that a stack of several layers of Cd-(OH)Cl creates a pocket of positive holes at the Cl-terminated surface and a pocket of electrons at the OH-terminated surface by leading in a difference in ionization energy at both surfaces. The resulting band alignment indicates that Cd-(OH)Cl can indeed play the role of an oxidative catalyst for CdS in a moist environment, thus providing an explanation for the experimental evidence. |
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001133000900001 |
Publication Date |
2023-12-08 |
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Edition |
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ISSN |
0897-4756; 1520-5002 |
ISBN |
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UA library record; WoS full record |
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Notes |
The experimental research on the cadmium yellow powders/paint mock-ups and The Scream (ca. 1910) was financially supported by the European Union, research projects IPERION-CH (H2020-INFRAIA-2014-2015, GA no. 654028) and IPERION-HS (H2020-INFRAIA-2019-1, GA no. 871034) and the project AMIS within the program Dipartimenti di Eccellenza 2018-2022 (funded by MUR and the University of Perugia). For the beamtime grants received, the authors thank the ESRF-ID21 beamline (experiments HG64 and HG95), the DESY-P06 beamline, a member of the Helmholtz Association HGF (experiments I-20130221 EC and I-20160126 EC), and the project CALIPSOplus under the GA no. 730872 from the E.U. Framework Programme for Research and Innovation Horizon 2020. All of the staff of the MUNCH Museum (Conservation Department) is acknowledged for their collaboration. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO – Vlaanderen and the Flemish Government, Department EWI. |
Approved |
no |
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Call Number |
UA @ admin @ c:irua:202836 |
Serial |
8999 |
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Author |
Deylgat, E.; Chen, E.; Sorée, B.; Vandenberghe, W.G. |
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Title |
Quantum transport study of contact resistance of edge- and top-contacted two-dimensional materials |
Type |
P1 Proceeding |
| |
Year |
2023 |
Publication |
International Conference on Simulation of Semiconductor Processes and Devices : [proceedings]
T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 27-29, 2023, Kobe, Japan |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
45-48 |
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Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
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Abstract |
We calculate the contact resistance for an edge- and top-contacted 2D semiconductor. The contact region consists of a metal contacting a monolayer of MoS2 which is otherwise surrounded by SiO2. We use the quantum transmitting boundary method to compute the contact resistance as a function of the 2D semiconductor doping concentration. An effective mass Hamiltonian is used to describe the properties of the various materials. The electrostatic potentials are obtained by solving the Poisson equation numerically. We incorporate the effects of the image-force barrier lowering on the Schottky barrier and examine the impact on the contact resistance. At low doping concentrations, the contact resistance of the top contact is lower compared to edge contact, while at high doping concentrations, the edge contact exhibits lower resistance. |
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Wos |
001117703800012 |
Publication Date |
2023-11-20 |
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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 |
978-4-86348-803-8 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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no |
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Call Number |
UA @ admin @ c:irua:202839 |
Serial |
9079 |
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Author |
Mychinko, M. |
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Title |
Advanced Electron Tomography to Investigate the Growth and Stability of Complex Metal Nanoparticles = Geavanceerde Elektronentomografie om de Groei en Stabiliteit van Complexe Metallische Nanodeeltjes te Onderzoeken |
Type |
Doctoral thesis |
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Year |
2024 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
227 p. |
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Abstract |
During the past decades, metallic nanoparticles (NPs) have attracted great attention in materials science due to their specific optical properties based on surface plasmon resonances. Because of these phenomena, plasmonic NPs (or nanoplasmonics) are very promising for application in biosensing, photocatalysts, medicine, data storage, solar energy conversion, etc. Currently, colloidal synthesis techniques enable scientists to routinely produce mono and bimetallic NPs of various shapes, sizes, composition, and elemental distribution, with superior properties for plasmonic applications. Two primary directions for further advancing nanoplasmonic-based technologies include synthesizing novel morphologies, such as highly asymmetric chiral NPs, and gaining deeper insights into the factors affecting the stability of produced nanoplasmonics. With the increasing complexity of nanoplasmonics morphologies and higher stability requirements, there is a pressing need for thorough investigations into their 3D structures and their evolution under different conditions, with high resolution. Electron tomography (ET) emerges as an ideal tool to retrieve shape and element-sensitive information about individual nanoparticles in 3D, achieving resolutions down to the atomic level. Moreover, ET techniques can be combined with in situ holders, enabling detailed studies of processes mimicking real applications of nanoplasmonic-based devices. The first part of this thesis will focus on detailed studies of chiral Au NPs, promising for spectroscopy techniques based on the differential absorption of left- and right-handed circularly polarized light. Specifically, I will discuss the primary strategies for wet-colloidal growth of the various types of intrinsically chiral Au NPs. Advanced ET methods will be demonstrated as powerful tools for characterizing the final helical morphologies of the produced Au NPs and for studying the chiral growth mechanisms by examining intermediate structures obtained during chiral growth. The second part will focus on the heat-induced stability of various Au@Ag core-shell NPs. Operating in real conditions, such as elevated temperatures, may cause particle reshaping and redistribution of metals between the core and shell, gradually altering nanoplasmonics properties. Hence, a thorough understanding of the influence of size, shape, and defects on these processes is crucial for further developments. Recently developed techniques, combining fast ET with in-situ heating holders, have allowed me to evaluate the influence of various parameters (size, shape, defect structure) on heat-induced elemental redistribution in Au@Ag core-shell nanoparticles qualitatively and quantitatively. Additionally, I will discuss the prospects of high-resolution ET for visualizing the diffusion of individual atoms within complex nanostructures. |
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no |
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Call Number |
UA @ admin @ c:irua:202976 |
Serial |
9001 |
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Author |
Jorissen, B.; Covaci, L.; Partoens, B. |
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Title |
Comparative analysis of tight-binding models for transition metal dichalcogenides |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
SciPost physics core |
Abbreviated Journal |
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Volume |
7 |
Issue |
1 |
Pages |
004-30 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
We provide a comprehensive analysis of the prominent tight-binding (TB) models for transition metal dichalcogenides (TMDs) available in the literature. We inspect the construction of these TB models, discuss their parameterization used and conduct a thorough comparison of their effectiveness in capturing important electronic properties. Based on these insights, we propose a novel TB model for TMDs designed for enhanced computational efficiency. Utilizing MoS2 as a representative case, we explain why specific models offer a more accurate description. Our primary aim is to assist researchers in choosing the most appropriate TB model for their calculations on TMDs. |
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Publication Date |
2024-02-06 |
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no |
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Call Number |
UA @ admin @ c:irua:202983 |
Serial |
9012 |
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Author |
Derks, K.; Youchaeva, M.; Van der Snickt, G.; Van der Stighelen, K.; Janssens, K. |
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Title |
Reconstructing Sweerts : practical insights into the historical dark halo technique based on paint reconstructions |
Type |
P1 Proceeding |
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Year |
2024 |
Publication |
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Volume |
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Issue |
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Pages |
259-271
T2 - Alla maniera : technical art history |
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Keywords |
P1 Proceeding; Engineering sciences. Technology; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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ISSN |
978-90-429-5216-4 |
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no |
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Call Number |
UA @ admin @ c:irua:203062 |
Serial |
9082 |
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Author |
Koirala, B.; Rasti, B.; Bnoulkacem, Z.; de Lima Ribeiro, A.; Madriz, Y.; Herrmann, E.; Gestels, A.; De Kerf, T.; Lorenz, S.; Fuchs, M.; Janssens, K.; Steenackers, G.; Gloaguen, R.; Scheunders, P. |
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Title |
A multisensor hyperspectral benchmark dataset for unmixing of intimate mixtures |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
IEEE sensors journal |
Abbreviated Journal |
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Volume |
24 |
Issue |
4 |
Pages |
4694-4710 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Vision lab; Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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Abstract |
Optical hyperspectral cameras capture the spectral reflectance of materials. Since many materials behave as heterogeneous intimate mixtures with which each photon interacts differently, the relationship between spectral reflectance and material composition is very complex. Quantitative validation of spectral unmixing algorithms requires high-quality ground truth fractional abundance data, which are very difficult to obtain. In this work, we generated a comprehensive laboratory ground truth dataset of intimately mixed mineral powders. For this, five clay powders (Kaolin, Roof clay, Red clay, mixed clay, and Calcium hydroxide) were mixed homogeneously to prepare 325 samples of 60 binary, 150 ternary, 100 quaternary, and 15 quinary mixtures. Thirteen different hyperspectral sensors have been used to acquire the reflectance spectra of these mixtures in the visible, near, short, mid, and long-wavelength infrared regions (350-15385) nm. Overlaps in wavelength regions due to the operational ranges of each sensor and variations in acquisition conditions resulted in a large amount of spectral variability. Ground truth composition is given by construction, but to verify that the generated samples are sufficiently homogeneous, XRD and XRF elemental analysis is performed. We believe these data will be beneficial for validating advanced methods for nonlinear unmixing and material composition estimation, including studying spectral variability and training supervised unmixing approaches. The datasets can be downloaded from the following link: https://github.com/VisionlabHyperspectral/Multisensor_datasets. |
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Publication Date |
2023-12-28 |
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ISSN |
1530-437x; 1558-1748 |
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UA library record |
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no |
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Call Number |
UA @ admin @ c:irua:203094 |
Serial |
9059 |
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Author |
Dingenen, F. |
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Title |
Solar-driven H2 production from seawater using stabilized plasmon-enhanced photocatalysts |
Type |
Doctoral thesis |
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Year |
2023 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
XXXVIII, 210 p. |
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Keywords |
Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
As natural gas prices proved to be very volatile, sustainable alternatives are highly needed. Water-derived H2 was revealed as a promising substitute, allowing to produce a green energy carrier with a minimum of harmful emissions. Direct splitting of earth-abundant seawater provides an eco-friendly route for the production of clean H2, but is hampered by selectivity and stability issues due to the presence of salts.Photocatalytic seawater splitting is particularly promising for this purpose, as it seems less affected by adversary seawater effects and might rely on free and renewable solar power. Unfortunately, the benchmark photocatalyst, TiO2, still suffers from its low solar light activity. It is only actived upon illumination with energetic ultraviolet light (<5% of the sunlight). In order to broaden the activity window to the visible light, the concept of the 'plasmonic rainbow' was explored. Here, TiO2 is modified with various gold-silver composites that possess the unique optical phenomenon of Surface Plasmon Resonance (SPR). This phenomenon enables the absorption of light at very specific wavelengths, depending on the metal type, size, shape and dielectric environment. The light energy might then be converted into hot carriers, strong local electromagnetic fields and/or heat. By combining multiple composites with various sizes and compositions, a broadband absorption could be obtained, resulting in significantly enhanced activity in photocatalytic model reactions under simulated sunlight. The major disadvantage of these plasmonic nanoparticles is their tendency to oxidize and deactivate. To overcome this, polymer shell stabilization strategies were found to be effective to protect the metal cores. Both conductive and non-conductive polymers were studied. For the former, a mix-and-wait strategy generating polyaniline shells of 2-5 nm was used, whille the latter was based on a Layer-by-Layer approach, allowing (sub) nanometer thickness control. For the actual H2 production experiments, the plasmonic loading was optimized in a pure water:methanol scavenger (7:1) mixture and initially the stabilization strategies proofed to be effective for simulated seawater (0.5M NaCl), even after 2 years. However, in real seawater, the activity decreased drastically due to aggregation of the photocatalyst in the presence of multivalent cations. Finally, facile immobilization strategies using 3D printing showed to be able to yield stable, solar active photocatalyst for real seawater splitting. |
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no |
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Call Number |
UA @ admin @ c:irua:203196 |
Serial |
9094 |
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Author |
Schram, J. |
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Title |
Electrochemical sensing strategies for multiple illicit drugs |
Type |
Doctoral thesis |
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Year |
2024 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
290 p. |
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Keywords |
Doctoral thesis; Pharmacology. Therapy; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
Today, illicit drugs are omnipresent in society. Clandestine markets are growing faster than ever before, record amounts of cocaine are seized in seaports and airports, while the associated violence is spiralling out of control. In addition, drug monitoring centres worldwide are warning for the increasing complexity of the drug markets, as the traditionally popular drugs are joined by countless new synthetic variants, while medical drugs are also increasingly being abused. In order to provide services confronted with illicit drug samples (police, customs, forensic scientists, first responders, …) with important information on the identity of an unknown sample, suitable analytical tests are required. While these exist for laboratory environments, on-site applicable tests are important to accelerate the decision-making process. Electrochemical sensors have all the advantages required for such on-site tests: they are fast, portable, easy-to-use and reliable. Furthermore, they are not influenced by colours, which are frequently added to drug samples to deceive the existing tests. Previous work has mainly focussed on the detection of a single drug per analysis. However, many drugs could be encountered due to the diversity of the drug markets. Therefore, this project developed electrochemical strategies for the detection of multiple drugs simultaneously. First, the electrochemical behaviour of the individual drugs was studied in different measuring conditions (assessing the influence of pH, concentration and temperature). Then, all findings and strategies were combined to detect multiple targets simultaneously. An electrochemical sensor was developed for the four most popular drugs at music festivals: cocaine, MDMA, amphetamine and ketamine. This sensor generates a so-called ‘superfingerprint’ of the sample, which is then automatically interpreted by a developed algorithm in order to produce a straightforward output. Finally, a pill analysis sensor was developed in the context of drug checking services, where a consumer can anonymously have a sample chemically analysed to obtain information on the composition, dose and potentially harmful additives. The sensor achieved an outstanding accuracy in identifying the main component and provided the option to quantify, as well as an indication on the presence of other substances in the sample. The project’s findings demonstrate the potential for electrochemistry in illicit drug detection and provide a basis for the development of new sensors, targeting other drug combinations. |
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Call Number |
UA @ admin @ c:irua:203199 |
Serial |
9029 |
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Author |
Peeters, H.; Raes, A.; Verbruggen, S.W. |
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Title |
Plasmonic photocatalytic coatings with self-cleaning, antibacterial, air and water purifying properties tested according to ISO standards |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Journal of photochemistry and photobiology: A: chemistry |
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Volume |
451 |
Issue |
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Pages |
115529-10 |
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A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
ISO 10678:2010, ISO 22197–1 and 2, ISO 27447:2019 and ISO 27448:2009 for the photocatalytic degradation of organic dyes (methylene blue), air pollution (NOx and acetaldehyde), bacteria (E. coli and S. aureus) and solid organic fouling (oleic acid) are performed on plasmon-embedded TiO2 thin films on Borofloat® glass, as well as the commercially available titania-based self-cleaning glass PilkingtonActivTM. These standardised protocols measure the performance for the four main applications of photocatalytic materials: water purification, air purification, antibacterial and self-cleaning activity, respectively. The standards are performed exactly as prescribed to measure the activity under UV irradiation, and also in a slightly adapted manner to measure the performance under simulated solar light or visible light. Performing experiments according to ISO standards, enables an objective comparison amongst samples tested here, as well as with results from literature. This is a major asset compared to the myriad of customised setups used in laboratories worldwide that hinder a fair comparison. We point at the importance of meticulously following the ISO instructions, as we have noticed that multiple published studies adopting the ISO standards too often deviate from these protocols, thereby nullifying the added value of standardized testing. Following the ISO tests to the letter, we have demonstrated the superior performance of a previously developed plasmonic titania coating with fully embedded gold-silver nanoparticles towards all four application areas. Furthermore, our empirical data strongly support the need for a nuanced understanding of standardized testing, to ensure accurate assessment of photocatalytic materials. An examination of the ISO standards used in this work reveals notable drawbacks, including concerns about the reliability of the methylene blue degradation protocol, the issues of HNO3 accumulation in the NOx removal test, and limitations in assessing antibacterial activity and water contact angles. |
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Publication Date |
2024-02-15 |
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1010-6030 |
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UA @ admin @ c:irua:203203 |
Serial |
9075 |
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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 |
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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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2024-02-13 |
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0956-5663 |
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UA @ admin @ c:irua:203204 |
Serial |
8998 |
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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 |
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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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2024-02-17 |
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0264-1275; 1873-4197 |
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Call Number |
UA @ admin @ c:irua:203298 |
Serial |
9068 |
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Author |
Faust, V.; Vlaeminck, S.E.; Ganigué, R.; Udert, K.M. |
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Title |
Influence of pH on urine nitrification : community shifts of ammonia-oxidizing bacteria and inhibition of nitrite-oxidizing bacteria |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
ACS ES&T engineering |
Abbreviated Journal |
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Volume |
4 |
Issue |
2 |
Pages |
342-353 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Urine nitrification is pH-sensitive due to limited alkalinity and high residual ammonium concentrations. This study aimed to investigate how the pH affects nitrogen conversion and the microbial community of urine nitrification with a pH-based feeding strategy. First, kinetic parameters for NH3, HNO2, and NO2– limitation and inhibition were determined for nitrifiers from a urine nitrification reactor. The turning point for ammonia-oxidizing bacteria (AOB), i.e., the substrate concentration at which a further increase would lead to a decrease in activity due to inhibitory effects, was at an NH3 concentration of 12 mg-N L–1, which was reached only at pH values above 7. The total nitrite turning point for nitrite-oxidizing bacteria (NOB) was pH-dependent, e.g., 18 mg-N L–1 at pH 6.3. Second, four years of data from two 120 L reactors were analyzed, showing that stable nitrification with low nitrite was most likely between pH 5.8 and 6.7. And third, six 12 L urine nitrification reactors were operated at total nitrogen concentrations of 1300 and 3600 mg-N L–1 and pH values between 2.5 and 8.5. At pH 6, the AOB Nitrosomonas europaea was found, and the NOB belonged to the genus Nitrobacter. At pH 7, nitrite accumulated, and Nitrosomonas halophila was the dominant AOB. NOB were inhibited by HNO2 accumulation. At pH 8.5, the AOB Nitrosomonas stercoris became dominant, and NH3 inhibited NOB. Without influent, the pH dropped to 2.5 due to the growth of the acid-tolerant AOB “Candidatus Nitrosacidococcus urinae”. In conclusion, pH is a decisive process control parameter for urine nitrification by influencing the selection and kinetics of nitrifiers. |
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2023-11-02 |
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Call Number |
UA @ admin @ c:irua:203306 |
Serial |
9048 |
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Author |
Grünewald, L.; Chezganov, D.; De Meyer, R.; Orekhov, A.; Van Aert, S.; Bogaerts, A.; Bals, S.; Verbeeck, J. |
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Title |
Supplementary Information for “In-situ Plasma Studies using a Direct Current Microplasma in a Scanning Electron Microscope” |
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Dataset |
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Year |
2023 |
Publication |
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Dataset; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Supplementary information for the article “In-situ Plasma Studies using a Direct Current Microplasma in a Scanning Electron Microscope” containing the videos of in-situ SEM imaging (mp4 files), raw data/images, and Jupyter notebooks (ipynb files) for data treatment and plots. Link to the preprint: https://doi.org/10.48550/arXiv.2308.15123 Explanation of the data files can be found in the Information.pdf file. The Videos folder contains the in-situ SEM image series mentioned in the paper. If there are any questions/bugs, feel free to contact me at lukas.grunewaldatuantwerpen.be |
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Call Number |
UA @ admin @ c:irua:203389 |
Serial |
9100 |
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Author |
Annys, A.; Jannis, D.; Verbeeck, J. |
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Title |
Core-loss EELS dataset and neural networks for element identification |
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Dataset |
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Year |
2023 |
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Dataset; Electron microscopy for materials research (EMAT) |
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Abstract |
We present a large dataset containing simulated core-loss electron energy loss spectroscopy (EELS) spectra with the elemental content as ground-truth labels. Additionally we present some neural networks trained on this data for element identification. The simulated dataset contains zero padded core-loss spectra from 0 to 3072 eV, which represents 107 core-loss edges through all 80 elements from Be up to Bi. The core-loss edges are calculated from the generalised oscillator strength (GOS) database presented by Zhang et al.[1] Generic fine structures using lifetime broadened peaks are used to imitate fine structure due to solid-state effects in experimental spectra. Generic low-loss regions are used to imitate the effect of multiple scattering. Each spectrum contains at least one edge of a given query element and possibly additional edges depending on samples drawn from The Materials Project [2]. The dataset contains for each of the 80 elements: 7000 training spectra, 1500 test spectra, 600 validation spectra and 100 spectra representing only the query element. This results in a total 736 000 labeled spectra. Code on how to – read the simulated data – transform HDF5 format to TFRecord format – train and evaluate neural networks using the simulated data – use the trained networks for automated element identification is available on GitHub at arnoannys/EELS_ID A full report on the simulation of the dataset and the training and evaluation of the neural networks can be found at: Annys, A., Jannis, D. & Verbeeck, J. Deep learning for automated materials characterisation in core-loss electron energy loss spectroscopy. Sci Rep 13, 13724 (2023). https://doi.org/10.1038/s41598-023-40943-7 [1] Zezhong Zhang, Ivan Lobato, Daen Jannis, Johan Verbeeck, Sandra Van Aert, & Peter Nellist. (2023). Generalised oscillator strength for core-shell electron excitation by fast electrons based on Dirac solutions (1.0) [Data set]. Zenodo. https://doi.org/10.5281/zenodo.7729585 [2] Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier, Wei Chen, William Davidson Richards, Stephen Dacek, Shreyas Cholia, Dan Gunter, David Skinner, Gerbrand Ceder, Kristin A. Persson; Commentary: The Materials Project: A materials genome approach to accelerating materials innovation. APL Mater 1 July 2013; 1 (1): 011002. [https://doi.org/10.1063/1.4812323](https://doi.org/10.1063/1.4812323) |
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no |
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Call Number |
UA @ admin @ c:irua:203391 |
Serial |
9015 |
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Author |
Zhang, Z.; Lobato, I.; Brown, H.; Jannis, D.; Verbeeck, J.; Van Aert, S.; Nellist, P. |
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Title |
Generalised oscillator strength for core-shell electron excitation by fast electrons based on Dirac solutions |
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Dataset |
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Year |
2023 |
Publication |
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Keywords |
Dataset; Electron microscopy for materials research (EMAT) |
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Abstract |
Inelastic excitation as exploited in Electron Energy Loss Spectroscopy (EELS) contains a rich source of information that is revealed in the scattering process. To accurately quantify core-loss EELS, it is common practice to fit the observed spectrum with scattering cross-sections calculated using experimental parameters and a Generalized Oscillator Strength (GOS) database [1]. The GOS is computed using Fermi’s Golden Rule and orbitals of bound and excited states. Previously, the GOS was based on Hartree-Fock solutions [2], but more recently Density Functional Theory (DFT) has been used [3]. In this work, we have chosen to use the Dirac equation to incorporate relativistic effects and have performed calculations using Flexible Atomic Code (FAC) [4]. This repository contains a tabulated GOS database based on Dirac solutions for computing double differential cross-sections under experimental conditions. We hope the Dirac-based GOS database can benefit the EELS community for both academic use and industry integration. Database Details: – Covers all elements (Z: 1-108) and all edges – Large energy range: 0.01 – 4000 eV – Large momentum range: 0.05 -50 Å-1 – Fine log sampling: 128 points for energy and 256 points for momentum – Data format: GOSH [3] Calculation Details: – Single atoms only; solid-state effects are not considered – Unoccupied states before continuum states of ionization are not considered; no fine structure – Plane Wave Born Approximation – Frozen Core Approximation is employed; electrostatic potential remains unchanged for orthogonal states when – core-shell electron is excited – Self-consistent Dirac–Fock–Slater iteration is used for Dirac calculations; Local Density Approximation is assumed for electron exchange interactions; continuum states are normalized against asymptotic form at large distances – Both large and small component contributions of Dirac solutions are included in GOS – Final state contributions are included until the contribution of the previous three states falls below 0.1%. A convergence log is provided for reference. Version 1.1 release note: – Update to be consistent with GOSH data format [3], all the edges are now within a single hdf5 file. A notable change in particular, the sampling in momentum is in 1/m, instead of previously in 1/Å. Great thanks to Gulio Guzzinati for his suggestions and sending conversion script. Version 1.2 release note: – Add “File Type / File version” information [1] Verbeeck, J., and S. Van Aert. Ultramicroscopy 101.2-4 (2004): 207-224. [2] Leapman, R. D., P. Rez, and D. F. Mayers. The Journal of Chemical Physics 72.2 (1980): 1232-1243. [3] Segger, L, Guzzinati, G, & Kohl, H. Zenodo (2023). doi:10.5281/zenodo.7645765 [4] Gu, M. F. Canadian Journal of Physics 86(5) (2008): 675-689. |
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no |
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Call Number |
UA @ admin @ c:irua:203392 |
Serial |
9042 |
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Vermeulen, B.B.; Raymenants, E.; Pham, V.T.; Pizzini, S.; Sorée, B.; Wostyn, K.; Couet, S.; Nguyen, V.D.; Temst, K. |
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Title |
Towards fully electrically controlled domain-wall logic |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
AIP advances |
Abbreviated Journal |
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Volume |
14 |
Issue |
2 |
Pages |
025030-25035 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Utilizing magnetic tunnel junctions (MTJs) for write/read and fast spin-orbit-torque (SOT)-driven domain-wall (DW) motion for propagation, enables non-volatile logic and majority operations, representing a breakthrough in the implementation of nanoscale DW logic devices. Recently, current-driven DW logic gates have been demonstrated via magnetic imaging, where the Dzyaloshinskii-Moriya interaction (DMI) induces chiral coupling between perpendicular magnetic anisotropy (PMA) regions via an in-plane (IP) oriented region. However, full electrical operation of nanoscale DW logic requires electrical write/read operations and a method to pattern PMA and IP regions compatible with the fabrication of PMA MTJs. Here, we study the use of a Hybrid Free Layer (HFL) concept to combine an MTJ stack with DW motion materials, and He+ ion irradiation to convert the stack from PMA to IP. First, we investigate the free layer thickness dependence of 100-nm diameter HFL-MTJ devices and find an optimal CoFeB thickness, from 7 to 10 angstrom, providing high tunneling magnetoresistance (TMR) readout and efficient spin-transfer torque (STT) writing. We then show that high DMI materials, like Pt/Co, can be integrated into an MTJ stack via interlayer exchange coupling with the CoFeB free layer. In this design, DMI values suitable for SOT-driven DW motion are measured by asymmetric bubble expansion. Finally, we demonstrate that He+ irradiation reliably converts the coupled free layers from PMA to IP. These findings offer a path toward the integration of fully electrically controlled DW logic circuits. |
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001163573400005 |
Publication Date |
2024-02-16 |
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ISSN |
2158-3226 |
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Additional Links |
UA library record; WoS full record |
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Call Number |
UA @ admin @ c:irua:203823 |
Serial |
9109 |
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Wahab, O.J.; Daviddi, E.; Xin, B.; Sun, P.Z.; Griffin, E.; Colburn, A.W.; Barry, D.; Yagmurcukardes, M.; Peeters, F.M.; Geim, A.K.; Lozada-Hidalgo, M.; Unwin, P.R. |
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Title |
Proton transport through nanoscale corrugations in two-dimensional crystals |
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A1 Journal article |
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Year |
2023 |
Publication |
Nature |
Abbreviated Journal |
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Volume |
620 |
Issue |
7975 |
Pages |
1-17 |
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A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Defect-free graphene is impermeable to all atoms(1-5) and ions(6,7) under ambient conditions. Experiments that can resolve gas flows of a few atoms per hour through micrometre-sized membranes found that monocrystalline graphene is completely impermeable to helium, the smallest atom(2,5). Such membranes were also shown to be impermeable to all ions, including the smallest one, lithium(6,7). By contrast, graphene was reported to be highly permeable to protons, nuclei of hydrogen atoms(8,9). There is no consensus, however, either on the mechanism behind the unexpectedly high proton permeability(10-14) or even on whether it requires defects in graphene's crystal lattice(6,8,15-17). Here, using high-resolution scanning electrochemical cell microscopy, we show that, although proton permeation through mechanically exfoliated monolayers of graphene and hexagonal boron nitride cannot be attributed to any structural defects, nanoscale non-flatness of two-dimensional membranes greatly facilitates proton transport. The spatial distribution of proton currents visualized by scanning electrochemical cell microscopy reveals marked inhomogeneities that are strongly correlated with nanoscale wrinkles and other features where strain is accumulated. Our results highlight nanoscale morphology as an important parameter enabling proton transport through two-dimensional crystals, mostly considered and modelled as flat, and indicate that strain and curvature can be used as additional degrees of freedom to control the proton permeability of two-dimensional materials. A study using high-resolution scanning electrochemical cell microscopy attributes proton permeation through defect-free graphene and hexagonal boron nitride to transport across areas of the structure that are under strain. |
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001153630400007 |
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2023-08-23 |
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0028-0836; 1476-4687 |
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UA library record; WoS full record; WoS citing articles |
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UA @ admin @ c:irua:203827 |
Serial |
9078 |
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Broers, F.T.H.; Verslype, I.; Bossers, K.W.; Vanmeert, F.; Gonzalez, V.; Garrevoet, J.; van Loon, A.; va Duijn, E.; Krekeler, A.; De Keyser, N.; Steeman, I.; Noble, P.; Janssens, K.; Meirer, F.; Keune, K. |
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Title |
Correlated x-ray fluorescence and ptychographic nano-tomography on Rembrandt's The Night Watch reveals unknown lead “layer” |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Science Advances |
Abbreviated Journal |
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Volume |
9 |
Issue |
50 |
Pages |
eadj9394-13 |
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A1 Journal article; Engineering sciences. Technology; Art; Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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Abstract |
The Night Watch, one of the most famous masterpieces by Rembrandt, is the subject of a large research and conservation project. For the conservation treatment, it is of great importance to understand its current condition. Correlated nano-tomography using x-ray fluorescence and ptychography revealed a-so far unknown-lead-containing “layer”, which likely acts as a protective impregnation layer applied on the canvas before the quartz-clay ground was applied. This layer might explain the presence of lead soap protrusions in areas where no other lead components are present. In addition to the three-dimensional elemental mapping, ptychography visualizes and quantifies components not detectable by hard x-ray fluorescence such as the organic fraction and quartz. The first-time use of this combination of synchrotron-based techniques on a historic paint micro-sample shows it to be an important tool to better interpret the results of noninvasive imaging techniques operating on the macroscale. |
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001142514700010 |
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2023-12-15 |
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ISSN |
2375-2548 |
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 |
no |
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Call Number |
UA @ admin @ c:irua:203849 |
Serial |
9016 |
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Author |
Smith, G.J.; Diomede, P.; Gibson, A.R.; Doyle, S.J.; Guerra, V.; Kushner, M.J.; Gans, T.; Dedrick, J.P. |
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Title |
Low-pressure inductively coupled plasmas in hydrogen : impact of gas heating on the spatial distribution of atomic hydrogen and vibrationally excited states |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
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Volume |
33 |
Issue |
2 |
Pages |
025002-25020 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Non-equilibrium inductively coupled plasmas (ICPs) operating in hydrogen are of significant interest for applications including large-area materials processing. Increasing control of spatial gas heating, which drives the formation of neutral species density gradients and the rate of gas-temperature-dependent reactions, is critical. In this study, we use 2D fluid-kinetic simulations with the Hybrid Plasma Equipment Model to investigate the spatially resolved production of atomic hydrogen in a low-pressure planar ICP operating in pure hydrogen (10-20 Pa or 0.075-0.15 Torr, 300 W). The reaction set incorporates self-consistent calculation of the spatially resolved gas temperature and 14 vibrationally excited states. We find that the formation of neutral-gas density gradients, which result from spatially non-uniform electrical power deposition at constant pressure, can drive significant variations in the vibrational distribution function and density of atomic hydrogen when gas heating is spatially resolved. This highlights the significance of spatial gas heating on the production of reactive species in relatively high-power-density plasma processing sources. |
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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 |
001154851700001 |
Publication Date |
2024-01-15 |
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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 |
0963-0252 |
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 |
Not_Open_Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:203866 |
Serial |
9054 |
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| Permanent link to this record |
