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Author  |
Kocabas, T.; Cakir, D.; Sevik, C. |
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Title |
First-principles discovery of stable two-dimensional materials with high-level piezoelectric response |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
33 |
Issue |
11 |
Pages |
115705 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The rational design of two-dimensional (2D) piezoelectric materials has recently garnered great interest due to their increasing use in technological applications, including sensor technology, actuating devices, energy harvesting, and medical applications. Several materials possessing high piezoelectric response have been reported so far, but a high-throughput first-principles approach to estimate the piezoelectric potential of layered materials has not been performed yet. In this study, we systematically investigated the piezoelectric (e(11), d(11)) and elastic (C-11 and C-12) properties of 128 thermodynamically stable 2D semiconductor materials by employing first-principle methods. Our high-throughput approach demonstrates that the materials containing Group-V elements produce significantly high piezoelectric strain constants, d(11) > 40 pm V-1, and 49 of the materials considered have the e(11) coefficient higher than MoS2 insomuch as BrSSb has one of the largest d(11) with a value of 373.0 pm V-1. Moreover, we established a simple empirical model in order to estimate the d(11) coefficients by utilizing the relative ionic motion in the unit cell and the polarizability of the individual elements in the compounds. |
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Wos |
000605852800001 |
Publication Date |
2020-12-15 |
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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 |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 2.649 |
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Call Number |
UA @ admin @ c:irua:193761 |
Serial |
7971 |
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Author |
Koo, J.; Dahl, A.B.; Bærentzen, J.A.; Chen, Q.; Bals, S.; Dahl, V.A. |
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Title |
Shape from projections via differentiable forward projector for computed tomography |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
224 |
Issue |
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Pages |
113239 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
In computed tomography, the reconstruction is typically obtained on a voxel grid. In this work, however, we propose a mesh-based reconstruction method. For tomographic problems, 3D meshes have mostly been studied to simulate data acquisition, but not for reconstruction, for which a 3D mesh means the inverse process of estimating shapes from projections. In this paper, we propose a differentiable forward model for 3D meshes that bridge the gap between the forward model for 3D surfaces and optimization. We view the forward projection as a rendering process, and make it differentiable by extending recent work in differentiable rendering. We use the proposed forward model to reconstruct 3D shapes directly from projections. Experimental results for single-object problems show that the proposed method outperforms traditional voxel-based methods on noisy simulated data. We also apply the proposed method on electron tomography images of nanoparticles to demonstrate the applicability of the method on real data. |
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Wos |
000744576800008 |
Publication Date |
2021-03-11 |
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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 |
0304-3991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
3 |
Open Access |
OpenAccess |
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Notes |
EU Horizon 2020 MSCA Innovative Training Network MUMMERING Grant Number 765604. |
Approved |
Most recent IF: 2.843 |
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Call Number |
EMAT @ emat @c:irua:183267 |
Serial |
6825 |
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Author |
Korkmaz, Y.A.; Bulutay, C.; Sevik, C. |
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Title |
k · p parametrization and linear and circular dichroism in strained monolayer (Janus) transition metal dichalcogenides from first-principles |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
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Volume |
125 |
Issue |
13 |
Pages |
7439-7450 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Semiconductor monolayer transition metal dichalcogenides (TMDs) have brought a new paradigm by introducing optically addressable valley degree of freedom. Concomitantly, their high flexibility constitutes a unique platform that links optics to mechanics via valleytronics. With the intention to expedite the research in this direction, we investigated ten TMDs, namely MoS2, MoSe2, MoTe2, WS2, WSe2, WTe2, MoSSe, MoSeTe, WSSe, and WSeTe, which particularly includes their so-called janus types (JTMDs). First, we obtained their electronic band structures using regular and hybrid density functional theory (DFT) calculations in the presence of the spin-orbit coupling and biaxial or uniaxial strain. Our DFT results indicated that against the expectations based on their reported piezoelectric behavior, JTMDs typically interpolated between the standard band properties of the constituent TMDs without producing a novel feature. Next, by fitting to our DFT data we generated both spinless and spinful k center dot p parameter sets which are quite accurate over the K valley where the optical activity occurs. As an important application of this parametrization, we considered the circular and linear dichroism under strain. Among the studied (J)TMDs, WTe2 stood out with its largest linear dichroism under uniaxial strain because of its narrower band gap and large K valley uniaxial deformation potential. This led us to suggest WTe2 monolayer membranes for optical polarization-based strain measurements, or conversely, as strain tunable optical polarizers. |
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Wos |
000639044400045 |
Publication Date |
2021-03-26 |
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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 |
1932-7447; 1932-7455 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.536 |
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Call Number |
UA @ admin @ c:irua:178264 |
Serial |
8136 |
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Author |
Kumar, N.; Perez-Novo, C.; Shaw, P.; Logie, E.; Privat-Maldonado, A.; Dewilde, S.; Smits, E.; Berghe, W.V.; Bogaerts, A. |
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Title |
Physical plasma-derived oxidants sensitize pancreatic cancer cells to ferroptotic cell death |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Free Radical Biology And Medicine |
Abbreviated Journal |
Free Radical Bio Med |
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Volume |
166 |
Issue |
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Pages |
187-200 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Center for Oncological Research (CORE) |
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Abstract |
Despite modern therapeutic advances, the survival prospects of pancreatic cancer patients remain poor, due to chemoresistance and dysregulated oncogenic kinase signaling networks. We applied a novel kinome activitymapping approach using biological peptide targets as phospho-sensors to identify vulnerable kinase dependencies for therapy sensitization by physical plasma. Ser/Thr-kinome specific activity changes were mapped upon induction of ferroptotic cell death in pancreatic tumor cells exposed to reactive oxygen and nitrogen species of plasma-treated water (PTW). This revealed a broad kinome activity response involving the CAMK, the AGC and CMGC family of kinases. This systems-level kinome network response supports stress adaptive switches between chemoresistant anti-oxidant responses of Kelch-like ECH-associated protein 1 (KEAP1)/Heme Oxygenase 1 (HMOX1) and ferroptotic cell death sensitization upon suppression of Nuclear factor (erythroid derived 2)-like 2 (NRF2) and Glutathione peroxidase 4 (GPX4). This is further supported by ex vivo experiments in the chicken chorioallantoic membrane assay, showing decreased GPX4 and Glutathione (GSH) expression as well as increased lipid peroxidation, along with suppressed BxPC-3 tumor growth in response to PTW. Taken all together, we demonstrate that plasma treated water-derived oxidants sensitize pancreatic cancer cells to ferroptotic cell death by targeting a NRF2-HMOX1-GPX4 specific kinase signaling network. |
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Wos |
000632703400001 |
Publication Date |
2021-02-23 |
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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 |
0891-5849 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.606 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
We gratefully acknowledge the financial support obtained from the Research Foundation Flanders (FWO), Belgium, grant number 12J5617 N and Department of Biotechnology (DBT) Ramalingaswami Re-entry Fellowship, India, grant number D.O.NO.BT/HRD/35/02/2006. We are thankful to the Laboratory of Experimental Hematology, for providing the facilities for the experimental and fluorescence microscopy work. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the University of Antwerp, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), Belgium. The Kinome profiling was performed at the Epigenetic Signaling service facility (PPES-UA) funded by the Hercules Foundation and Foundation against cancer Belgium (KOTK 7872). |
Approved |
Most recent IF: 5.606 |
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Call Number |
PLASMANT @ plasmant @c:irua:176878 |
Serial |
6711 |
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Author |
Kummamuru, N.B.; Perreault, P.; Lenaerts, S. |
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Title |
A new generalized empirical correlation for predicting methane hydrate equilibrium conditions in pure water |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Industrial & Engineering Chemistry Research |
Abbreviated Journal |
Ind Eng Chem Res |
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Volume |
60 |
Issue |
8 |
Pages |
3474-3483 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
This work contributes to a new generalized empirical correlation for predicting methane (CH4) hydrate equilibrium conditions in pure water. Unlike the conventional thermodynamic approach that involves complex reckoning, the proposed empirical equation is developed by regressing 215 experimental data points from the literature and validating with 45 data points for predicting methane hydrate equilibrium conditions in pure water. The new correlation is proposed for a temperature and pressure range of 273.2–303.48 K and 2.63–72.26 MPa, respectively. The accuracy and performance of the proposed correlation is quantitatively evaluated using statistical error analysis. The proposed correlation was able to estimate CH4 hydrate equilibrium conditions satisfactorily with an R2 of 0.99987. The overall error analysis for the proposed correlation shows fair agreement with the experimental data reported within the literature. Concurrently, the new correlation showed better performance in predicting equilibrium conditions compared to those calculated by other empirical correlations available in the literature within the investigated range. In addition, the proposed empirical equation is also checked to evaluate its efficacy in fitting each set of experimental binary/ternary methane hydrates (BTMH) and binary hydrogen hydrates (BHH) for an accurate representation of equilibrium data over a wide range of composition, pressure, and temperature conditions. A maximum percentage deviation of 0.58% and 0.24% was observed between experimental and calculated equilibrium conditions for BTMH and BHH, respectively. |
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Wos |
000626326200017 |
Publication Date |
2021-02-19 |
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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 |
0888-5885; 1520-5045 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 2.843 |
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Call Number |
UA @ admin @ c:irua:175862 |
Serial |
7394 |
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Author |
Larraín, M.; Van Passel, S.; Thomassen, G.; Van Gorp, B.; Nhu, T.T.; Huysveld, S.; Van Geem, K.M.; De Meester, S.; Billen, P. |
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Title |
Techno-economic assessment of mechanical recycling of challenging post-consumer plastic packaging waste |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Resources Conservation And Recycling |
Abbreviated Journal |
Resour Conserv Recy |
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Volume |
170 |
Issue |
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Pages |
105607 |
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Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
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Abstract |
Increasing plastic recycling rates is crucial to tackle plastic pollution and reduce consumption of fossil resources. Recycling routes for post-consumer plastic fractions that are technologically and economically feasible remain a challenge. Profitable value chains for recycling mixed film and tray-like plastics have hardly been implemented today, in sharp contrast to recycling of relatively pure fractions such as polyethylene terephthalate and high-density polyethylene bottles. This study examines the economic feasibility of implementing mechanical recycling for plastic waste such as polypropylene, polystyrene, polyethylene films and mixed polyolefins. In most European countries these plastic fractions are usually incinerated or landfilled whilst in fact technologies exist to mechanically recycle them into regranulates or regrinds. Results show that the economic incentives for the recycling of plastic packaging depend predominantly on the product price and product yield. At current price levels, the most profitable plastic fraction to be recycled is PS rigids, with an internal rate of return of 14%, whereas the least profitable feed is a mixed polyolefin fraction with a negative internal rate of return in a scenario with steadily rising oil prices. Moreover, these values would be substantially reduced if oil prices, and therefore plastic product prices decrease. Considering a discount rate of 15% for a 15-year period, mechanical recycling is not profitable if no policy changes would be imposed by governments. Clearly low oil prices may jeopardize the mechanical recycling industry, inducing the need for policies that would increase the demand of recycled products such as imposing minimal recycled content targets. |
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Wos |
000667309200042 |
Publication Date |
2021-04-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0921-3449 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.313 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.313 |
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Call Number |
UA @ admin @ c:irua:177325 |
Serial |
6946 |
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Author |
Lauriks, T.; Longo, R.; Baetens, D.; Derudi, M.; Parente, A.; Bellemans, A.; van Beeck, J.; Denys, S. |
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Title |
Application of improved CFD modeling for prediction and mitigation of traffic-related air pollution hotspots in a realistic urban street |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Atmospheric Environment |
Abbreviated Journal |
Atmos Environ |
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Volume |
246 |
Issue |
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Pages |
118127 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The correct prediction of air pollutants dispersed in urban areas is of paramount importance to safety, public health and a sustainable environment. Vehicular traffic is one of the main sources of nitrogen oxides (NO ) and particulate matter (PM), strongly related to human morbidity and mortality. In this study, the pollutant level and distribution in a section of one of the main road arteries of Antwerp (Belgium, Europe) are analyzed. The assessment is performed through computational fluid dynamics (CFD), acknowledged as a powerful tool to predict and study dispersion phenomena in complex atmospheric environments. The two main traffic lanes are modeled as emitting sources and the surrounding area is explicitly depicted. A Reynolds-averaged Navier–Stokes (RANS) approach specific for Atmospheric Boundary Layer (ABL) simulations is employed. After a validation on a wind tunnel urban canyon test case, the dispersion within the canopy of two relevant urban pollutants, nitrogen dioxide (NO) and particulate matter with an aerodynamic diameter smaller than 10 m (PM10), is studied. An experimental field campaign led to the availability of wind velocity and direction data, as well as PM10 concentrations in some key locations within the urban canyon. To accurately predict the concentration field, a relevant dispersion parameter, the turbulent Schmidt number, , is prescribed as a locally variable quantity. The pollutant distributions in the area of interest – exhibiting strong heterogeneity – are finally demonstrated, considering one of the most frequent and concerning wind directions. Possible local remedial measures are conceptualized, investigated and implemented and their outcomes are directly compared. A major goal is, by realistically reproducing the district of interest, to identify the locations inside this intricate urban canyon where the pollutants are stagnating and to analyze which solution acts as best mitigation measure. It is demonstrated that removal by electrostatic precipitation (ESP), an active measure, and by enhancing the dilution process through wind catchers, a passive measure, are effective for local pollutant removal in a realistic urban canyon. It is also demonstrated that the applied ABL methodology resolves some well known problems in ABL dispersion modeling. |
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Place of Publication |
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Language |
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Wos |
000613550100003 |
Publication Date |
2020-12-07 |
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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 |
1352-2310 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.629 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.629 |
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Call Number |
UA @ admin @ c:irua:173917 |
Serial |
7477 |
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Author |
Lavor, I.R.; Cavalcante, L.S.R.; Chaves, A.; Peeters, F.M.; Van Duppen, B. |
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Title |
Probing the structure and composition of van der Waals heterostructures using the nonlocality of Dirac plasmons in the terahertz regime |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
2d Materials |
Abbreviated Journal |
2D Mater |
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Volume |
8 |
Issue |
1 |
Pages |
015014 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Dirac plasmons in graphene are very sensitive to the dielectric properties of the environment. We show that this can be used to probe the structure and composition of van der Waals heterostructures (vdWh) put underneath a single graphene layer. In order to do so, we assess vdWh composed of hexagonal boron nitride and different types of transition metal dichalcogenides (TMDs). By performing realistic simulations that account for the contribution of each layer of the vdWh separately and including the importance of the substrate phonons, we show that one can achieve single-layer resolution by investigating the nonlocal nature of the Dirac plasmon-polaritons. The composition of the vdWh stack can be inferred from the plasmon-phonon coupling once it is composed by more than two TMD layers. Furthermore, we show that the bulk character of TMD stacks for plasmonic screening properties in the terahertz regime is reached only beyond 100 layers. |
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Place of Publication |
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Wos |
000582820500001 |
Publication Date |
2020-10-06 |
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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 |
2053-1583 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.937 |
Times cited |
2 |
Open Access |
OpenAccess |
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Notes |
; This work was financially supported by the Brazilian Council for Research (CNPq), Brazilian National Council for the Improvement of Higher Education (CAPES) and by the Research Foundation Flanders (FWO) through a postdoctoral fellowship to B.V.D. ; |
Approved |
Most recent IF: 6.937 |
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Call Number |
UA @ admin @ c:irua:173507 |
Serial |
6696 |
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Author |
Lavor, I.R.; Chaves, A.; Peeters, F.M.; Van Duppen, B. |
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Title |
Tunable coupling of terahertz Dirac plasmons and phonons in transition metal dichalcogenide-based van der Waals heterostructures |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
2d Materials |
Abbreviated Journal |
2D Mater |
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Volume |
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Issue |
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Pages |
015018 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Dirac plasmons in graphene hybridize with phonons of transition metal dichalcogenides (TMDs) when the materials are combined in so-called van der Waals heterostructures (vdWh), thus forming surface plasmon-phonon polaritons (SPPPs). The extend to which these modes are coupled depends on the TMD composition and structure, but also on the plasmons' properties. By performing realistic simulations that account for the contribution of each layer of the vdWh separately, we calculate how the strength of plasmon-phonon coupling depends on the number and composition of TMD layers, on the graphene Fermi energy and the specific phonon mode. From this, we present a semiclassical theory that is capable of capturing all relevant characteristics of the SPPPs. We find that it is possible to realize both strong and ultra-strong coupling regimes by tuning graphene's Fermi energy and changing TMD layer number. |
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Place of Publication |
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Language |
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Wos |
000722020100001 |
Publication Date |
2021-11-08 |
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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 |
2053-1583 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
6.937 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 6.937 |
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Call Number |
UA @ admin @ c:irua:183053 |
Serial |
7036 |
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Author |
Lavor, I.R.; da Costa, D.R.; Chaves, A.; Sena, S.H.R.; Farias, G.A.; Van Duppen, B.; Peeters, F.M. |
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Title |
Effect of zitterbewegung on the propagation of wave packets in ABC-stacked multilayer graphene : an analytical and computational approach |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
33 |
Issue |
9 |
Pages |
095503 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The time evolution of a low-energy two-dimensional Gaussian wave packet in ABC-stacked n-layer graphene (ABC-NLG) is investigated. Expectation values of the position (x, y) of center-of-mass and the total probability densities of the wave packet are calculated analytically using the Green's function method. These results are confirmed using an alternative numerical method based on the split-operator technique within the Dirac approach for ABC-NLG, which additionally allows to include external fields and potentials. The main features of the zitterbewegung (trembling motion) of wave packets in graphene are demonstrated and are found to depend not only on the wave packet width and initial pseudospin polarization, but also on the number of layers. Moreover, the analytical and numerical methods proposed here allow to investigate wave packet dynamics in graphene systems with an arbitrary number of layers and arbitrary potential landscapes. |
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Wos |
000599465000001 |
Publication Date |
2020-11-25 |
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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 |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
3 |
Open Access |
OpenAccess |
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Notes |
; Discussions with D J P de Sousa and J M Pereira Jr are gratefully acknowledged. This work was financially supported by the Brazilian Council for Research (CNPq), under the PQ and PRONEX/FUNCAP programs, and by CAPES. One of us (BVD) is supported by the FWO-Vl. DRC is supported by CNPq Grant Nos. 310019/2018-4 and 437067/2018-1. ; |
Approved |
Most recent IF: 2.649 |
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| |
Call Number |
UA @ admin @ c:irua:174953 |
Serial |
6687 |
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| Permanent link to this record |
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Author |
Lavor, I.R.; da Costa, D.R.; Covaci, L.; Milošević, M.V.; Peeters, F.M.; Chaves, A. |
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Title |
Zitterbewegung of moiré excitons in twisted MoS₂/WSe₂ heterobilayers |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Physical review letters |
Abbreviated Journal |
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| |
Volume |
127 |
Issue |
10 |
Pages |
106801 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
The moire pattern observed in stacked noncommensurate crystal lattices, such as heterobilayers of transition metal dichalcogenides, produces a periodic modulation of their band gap. Excitons subjected to this potential landscape exhibit a band structure that gives rise to a quasiparticle dubbed the moire exciton. In the case of MoS2/WSe2 heterobilayers, the moire trapping potential has honeycomb symmetry and, consequently, the moire exciton band structure is the same as that of a Dirac-Weyl fermion, whose mass can be further tuned down to zero with a perpendicularly applied field. Here we show that, analogously to other Dirac-like particles, the moire exciton exhibits a trembling motion, also known as Zitterbewegung, whose long timescales are compatible with current experimental techniques for exciton dynamics. This promotes the study of the dynamics of moire excitons in van der Waals heterostructures as an advantageous solid-state platform to probe Zitterbewegung, broadly tunable by gating and interlayer twist angle. |
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Wos |
000692200800020 |
Publication Date |
2021-08-31 |
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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 |
1079-7114 |
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 |
4 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:181599 |
Serial |
6896 |
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| Permanent link to this record |
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Author |
Lebedev, N.; Stehno, M.; Rana, A.; Reith, P.; Gauquelin, N.; Verbeeck, J.; Hilgenkamp, H.; Brinkman, A.; Aarts, J. |
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Title |
Gate-tuned anomalous Hall effect driven by Rashba splitting in intermixed LaAlO3/GdTiO3/SrTiO3 |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Scientific Reports |
Abbreviated Journal |
Sci Rep-Uk |
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Volume |
11 |
Issue |
1 |
Pages |
10726 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The Anomalous Hall Effect (AHE) is an important quantity in determining the properties and understanding the behaviour of the two-dimensional electron system forming at the interface of SrTiO<sub>3</sub>-based oxide heterostructures. The occurrence of AHE is often interpreted as a signature of ferromagnetism, but it is becoming more and more clear that also paramagnets may contribute to AHE. We studied the influence of magnetic ions by measuring intermixed LaAlO<sub>3</sub>/GdTiO<sub>3</sub>/SrTiO<sub>3</sub>at temperatures below 10 K. We find that, as function of gate voltage, the system undergoes a Lifshitz transition while at the same time an onset of AHE is observed. However, we do not observe clear signs of ferromagnetism. We argue the AHE to be due to the change in Rashba spin-orbit coupling at the Lifshitz transition and conclude that also paramagnetic moments which are easily polarizable at low temperatures and high magnetic fields lead to the presence of AHE, which needs to be taken into account when extracting carrier densities and mobilities. |
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Wos |
000658820100014 |
Publication Date |
2021-05-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2045-2322 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.259 |
Times cited |
5 |
Open Access |
OpenAccess |
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Notes |
J.V. and N.G. acknowledge funding from the Geconcentreerde Onderzoekacties (GOA) project “Solarpaint” of the University of Antwerp and the European Union’s horizon 2020 research and innovation programme ESTEEM3 under grant agreement 823717. The Qu-Ant-EM microscope used in this study was partly funded by the Hercules fund from the Flemish Government.; esteem3TA; esteem3reported |
Approved |
Most recent IF: 4.259 |
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Call Number |
EMAT @ emat @c:irua:179608 |
Serial |
6822 |
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| Permanent link to this record |
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Author |
Lee, Y.; Forte, J.D.'arf S.; Chaves, A.; Kumar, A.; Tran, T.T.; Kim, Y.; Roy, S.; Taniguchi, T.; Watanabe, K.; Chernikov, A.; Jang, J.I.; Low, T.; Kim, J. |
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Title |
Boosting quantum yields in two-dimensional semiconductors via proximal metal plates |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Nature Communications |
Abbreviated Journal |
Nat Commun |
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Volume |
12 |
Issue |
1 |
Pages |
7095 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
The short exciton lifetime and strong exciton-exciton interaction in transition metal dichalcogenides limit the efficiency of exciton emission. Here, the authors show that exciton-exciton interaction in monolayer WS2 can be screened using proximal metal plates, leading to an improved quantum yield. Monolayer transition metal dichalcogenides (1L-TMDs) have tremendous potential as atomically thin, direct bandgap semiconductors that can be used as convenient building blocks for quantum photonic devices. However, the short exciton lifetime due to the defect traps and the strong exciton-exciton interaction in TMDs has significantly limited the efficiency of exciton emission from this class of materials. Here, we show that exciton-exciton interaction in 1L-WS2 can be effectively screened using an ultra-flat Au film substrate separated by multilayers of hexagonal boron nitride. Under this geometry, induced dipolar exciton-exciton interaction becomes quadrupole-quadrupole interaction because of effective image dipoles formed within the metal. The suppressed exciton-exciton interaction leads to a significantly improved quantum yield by an order of magnitude, which is also accompanied by a reduction in the exciton-exciton annihilation (EEA) rate, as confirmed by time-resolved optical measurements. A theoretical model accounting for the screening of the dipole-dipole interaction is in a good agreement with the dependence of EEA on exciton densities. Our results suggest that fundamental EEA processes in the TMD can be engineered through proximal metallic screening, which represents a practical approach towards high-efficiency 2D light emitters. |
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Wos |
000728559600014 |
Publication Date |
2021-12-07 |
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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 |
2041-1723 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.124 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 12.124 |
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Call Number |
UA @ admin @ c:irua:184870 |
Serial |
7566 |
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Author |
Legrand, S. |
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Title |
Advanced chemical imaging of artworks |
Type |
Doctoral thesis |
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Year |
2021 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
315 p. |
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Keywords |
Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Last century the field of heritage sciences expanded beyond imagination. The inventions of X-ray radiography and infrared reflectography allowed experts to investigate paintings below the surface as well. More recent developments led to the advent of the field of hyperspectral imaging, to which the advanced chemical imaging methods, used in this thesis work, belong. These techniques not only allow to identify the components present in artworks, but also to visualize their distribution over these objects. The resulting distribution maps permit a broader public to interpret the scientific data and to relate these results with the artwork itself. During this thesis work a range of flat artworks were investigated in a non-destructive manner using mainly two macroscopic imaging techniques: macroscopic X-ray fluorescence scanning and macroscopic Fourier transformed mid-infrared scanning in reflectance mode. The resulting images were sometimes supplemented with microscopic techniques on a minute selection of samples to fully understand the layer build-up, composition and distribution of these materials over the stratigraphy. Illuminated manuscripts pushed the interpretation of the macroscopic imaging techniques: due to the impossibility of sampling, all answers had to be obtained non-destructively. Documenting masterpieces such as the Ghent Altarpiece by means of chemical imaging techniques, helped the restoration team, assisted by the international commission to make the daring decision of manually removing the non-original paint layers. Scanning stained-glass windows allowed experts to document the panels, create situation reports, identify later infills and guide the restoration process in a more efficient manner. By initially applying non-destructive imaging techniques, many of the research/conservation questions could already be answered. Based on the resulting distribution maps, only a very limited amount of sampling was required to obtain a representative set to answer the remaining questions. In most cases the combination of multiple methods was necessary to fully understand the situation. A similar trend could be seen in the research field: the collaboration between divergent disciples was often required in order to explain all observations. In order to completely break through, the scanning speed of these techniques has to increase even more in order to cover an acceptable surface in one workday. Parallel with the operational speed, the (basic) data treatment should also be streamlined more in order to allow a broader user group to access the results. Once these two improvements are carried out, these techniques become accessible to a larger public. |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:176342 |
Serial |
7420 |
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Author |
Leinders, G.; Baldinozzi, G.; Ritter, C.; Saniz, R.; Arts, I.; Lamoen, D.; Verwerft, M. |
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Title |
Charge Localization and Magnetic Correlations in the Refined Structure of U3O7 |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Inorganic Chemistry |
Abbreviated Journal |
Inorg Chem |
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Volume |
60 |
Issue |
14 |
Pages |
10550-10564 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Atomic arrangements in the mixed-valence oxide U3O7 are refined from high-resolution neutron scattering data. The crystallographic model describes a long-range structural order in a U60O140 primitive cell (space group P42/n) containing distorted cuboctahedral oxygen clusters. By combining experimental data and electronic structure calculations accounting for spin–orbit interactions, we provide robust evidence of an interplay between charge localization and the magnetic moments carried by the uranium atoms. The calculations predict U3O7 to be a semiconducting solid with a band gap of close to 0.32 eV, and a more pronounced charge-transfer insulator behavior as compared to the well-known Mott insulator UO2. Most uranium ions (56 out of 60) occur in 9-fold and 10-fold coordinated environments, surrounding the oxygen clusters, and have a tetravalent (24 out of 60) or pentavalent (32 out of 60) state. The remaining uranium ions (4 out of 60) are not contiguous to the oxygen cuboctahedra and have a very compact, 8-fold coordinated environment with two short (2 × 1.93(3) Å) “oxo-type” bonds. The higher Hirshfeld charge and the diamagnetic character point to a hexavalent state for these four uranium ions. Hence, the valence state distribution corresponds to 24/60 × U(IV) + 32/60 U(V) + 4/60 U(VI). The tetravalent and pentavalent uranium ions are predicted to carry noncollinear magnetic moments (with amplitudes of 1.6 and 0.8 μB, respectively), resulting in canted ferromagnetic order in characteristic layers within the overall fluorite-related structure. |
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Wos |
000675430900049 |
Publication Date |
2021-07-19 |
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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; WoS citing articles |
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Impact Factor |
4.857 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
Financial support for this research was partly provided by the Energy Transition Fund of the Belgian FPS Economy (Project SF-CORMOD – Spent Fuel CORrosion MODeling). This work was performed in part using HPC resources from GENCI-IDRIS (Grants 2020-101450 and 2020-101601), and in part 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. GL thanks E. Suard and C. Schreinemachers for assistance during the neutron scattering experiments at the ILL. GB acknowledges V. Petříček for suggestions on using JANA2006. |
Approved |
Most recent IF: 4.857 |
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Call Number |
EMAT @ emat @c:irua:179907 |
Serial |
6801 |
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Author |
Lezaack, M.B.; Hannard, F.; Zhao, L.; Orekhov, A.; Adrien, J.; Miettinen, A.; Idrissi, H.; Simar, A. |
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Title |
Towards ductilization of high strength 7XXX aluminium alloys via microstructural modifications obtained by friction stir processing and heat treatments |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Materialia |
Abbreviated Journal |
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Volume |
20 |
Issue |
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Pages |
101248 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
High strength 7XXX aluminium series reach exceptional strength, higher than all other industrial aluminium alloys. However, they suffer from a lack of ductility compared to softer series. This work presents a procedure to improve the ductility of 7475 Al alloy in high strength condition, reaching a true fracture strain of 70% at full 500 MPa T6 yield strength. Using friction stir processing (FSP) and post-FSP heat treatments, 100% of industrial rolled material T6 yield stress is maintained but a 180% increase in fracture strain is measured for the processed material. This ductility improvement is studied by in-situ synchrotron X-ray tomography and is explained by the reduction of intermetallic particles size and the homogenization of their spatial distribution. Furthermore, the microstructure after FSP shows equiaxed refined grains which favour crack deviation as opposed to large cracks parallel to the elongated coarse grains in rolled plate. These results are paving the way to better formability and crashworthiness of 7XXX alloys. |
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Wos |
000718127100006 |
Publication Date |
2021-10-19 |
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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 |
2589-1529 |
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 |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:184145 |
Serial |
6894 |
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Author |
Li, C.-F.; Zhao, K.; Liao, X.; Hu, Z.-Y.; Zhang, L.; Zhao, Y.; Mu, S.; Li, Y.; Li, Y.; Van Tendeloo, G.; Sun, C. |
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Title |
Interface cation migration kinetics induced oxygen release heterogeneity in layered lithium cathodes |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Energy Storage Materials |
Abbreviated Journal |
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Volume |
36 |
Issue |
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Pages |
115-122 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The irreversible release of the lattice oxygen in layered cathodes is one of the major degradation mechanisms of lithium ion batteries, which accounts for a number of battery failures including the voltage/capacity fade, loss of cation ions and detachment of the primary particles, etc. Oxygen release is generally attributed to the stepwise thermodynamic controlled phase transitions from the layered to spinel and rock salt phases. Here, we report a strong kinetic effect from the mobility of cation ions, whose migration barrier can be significantly modulated by the phase epitaxy at the degrading interface. It ends up with a clear oxygen release heterogeneity and completely different reaction pathways between the thin and thick areas, as well as the interparticle valence boundaries, both of which widely exist in the mainstream cathode design with the secondary agglomerates. This work unveils the origin of the heterogenous oxygen release in the layered cathodes. It also sheds light on the rational design of cathode materials with enhanced oxygen stability by suppressing the cation migration. |
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Wos |
000620584300009 |
Publication Date |
2020-12-24 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:176654 |
Serial |
6730 |
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Author |
Li, C.; Tardajos, A.P.; Wang, D.; Choukroun, D.; Van Daele, K.; Breugelmans, T.; Bals, S. |
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Title |
A simple method to clean ligand contamination on TEM grids |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
221 |
Issue |
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Pages |
113195 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
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Abstract |
Colloidal nanoparticles (NPs) including nanowires and nanosheets made by chemical methods involve many organic ligands. When the structure of NPs is investigated via transmission electron microscopy (TEM), the organic ligands act as a source for e-beam induced deposition and this causes substantial build-up of carbon layers in the investigated areas, which is typically referred to as “contamination” in the eld of electron mi- croscopy. This contamination is often more severe for scanning TEM, a technique that is based on a focused electron beam and hence higher electron dose rate. In this paper, we report a simple and effective method to clean drop-cast TEM grids that contain NPs with ligands. Using a combination of activated carbon and ethanol, this method effectively reduces the amount of ligands on TEM grids, and therefore greatly improves the quality of electron microscopy images and subsequent analytical measurements. This ef cient and facile method can be helpful during electron microscopy investigation of different kinds of nanomaterials that suffer from ligand- induced contamination. |
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Wos |
000612539600002 |
Publication Date |
0000-00-00 |
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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 |
0304-3991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
10 |
Open Access |
OpenAccess |
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Notes |
This research was funded by the University Antwerp GOA project (ID 33928). DW acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in Horizon 2020 program (grant 894254 SuprAtom). |
Approved |
Most recent IF: 2.843 |
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Call Number |
EMAT @ emat @c:irua:174947 |
Serial |
6666 |
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Author |
Li, S.; Ahmed, R.; Yi, Y.; Bogaerts, A. |
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Title |
Methane to Methanol through Heterogeneous Catalysis and Plasma Catalysis |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Catalysts |
Abbreviated Journal |
Catalysts |
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Volume |
11 |
Issue |
5 |
Pages |
590 |
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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 |
Direct oxidation of methane to methanol (DOMTM) is attractive for the increasing industrial demand of feedstock. In this review, the latest advances in heterogeneous catalysis and plasma catalysis for DOMTM are summarized, with the aim to pinpoint the differences between both, and to provide some insights into their reaction mechanisms, as well as the implications for future development of highly selective catalysts for DOMTM. |
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Place of Publication |
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Wos |
000653609900001 |
Publication Date |
2021-05-01 |
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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 |
2073-4344 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.082 |
Times cited |
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Open Access |
OpenAccess |
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| |
Notes |
Fundamental Research Funds for the Central Universities of China, DUT18JC42 ; National Natural Science Foundation of China, 21503032 ; PetroChina Innovation Foundation, 2018D-5007-0501 ; TOP-BOF research project of the Research Council of the University of Antwerp, 32249 ; This research was funded by the Fundamental Research Funds for the Central Universities of China (DUT18JC42), the National Natural Science Foundation of China (21503032) PetroChina Innovation Foundation (2018D-5007-0501) and the TOP-BOF research project of the Research Council of the University of Antwerp (grant ID 32249). This research was supported by the China Scholarship Council (CSC). The authors warmly acknowledge CSC for their support. |
Approved |
Most recent IF: 3.082 |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:177851 |
Serial |
6753 |
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| Permanent link to this record |
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Author |
Li, W.; Tong, W.; Yadav, A.; Bladt, E.; Bals, S.; Funston, A.M.; Etheridge, J. |
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Title |
Shape control beyond the seeds in gold nanoparticles |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Chemistry Of Materials |
Abbreviated Journal |
Chem Mater |
|
| |
Volume |
33 |
Issue |
23 |
Pages |
9152-9164 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
In typical seed-mediated syntheses of metal nanocrystals, the shape of the nanocrystal is determined largely by the seed nucleation environment and subsequent growth environment (where “environment” refers to the chemical environment, including the surfactant and additives). In this approach, crystallinity is typically determined by the seeds, and surfaces are controlled by the environment(s). However, surface energies, and crystallinity, are both influenced by the choice of environment(s). This limits the permutations of crystallinity and surface facets that can be mixed and matched to generate new nanocrystal morphologies. Here, we control post-seed growth to deliberately incorporate twin planes during the growth stage to deliver new final morphologies, including twinned cubes and bipyramids from single-crystal seeds. The nature and number of twin planes, together with surfactant control of facet growth, define the final nanoparticle morphology. Moreover, by breaking symmetry, the twin planes introduce new facet orientations. This additional mechanism opens new routes for the synthesis of different morphologies and facet orientations. |
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Corporate Author |
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Place of Publication |
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Editor |
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Wos |
000753956100012 |
Publication Date |
0000-00-00 |
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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 |
0897-4756; 1520-5002 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
9.466 |
Times cited |
3 |
Open Access |
Not_Open_Access |
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Notes |
This work was supported by the Australian Research Council (ARC) Grants DP160104679 and CE170100026 and used microscopes at the Monash Centre for Electron Microscopy funded by ARC Grants LE0454166, LE110100223, and LE140100104. W.L. thanks the support of the Australian Government Research Training Program (RTP) scholarship. W.T. thanks the Australian Department of Education and Monash University for the IPRS and APA scholarships. E.B. acknowledges financial support and a post-doctoral grant from the Research Foundation Flanders (FWO, Belgium). The authors thank Dr. Matthew Weyland and Dr. Tim Peterson for helpful discussions. A.Y. thanks the support from Post Graduation Publication Award (PPA) scholarship from Monash University. |
Approved |
Most recent IF: 9.466 |
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| |
Call Number |
UA @ admin @ c:irua:187229 |
Serial |
7065 |
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| Permanent link to this record |
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Author |
Liang, Q.; Yang, D.; Xia, F.; Bai, H.; Peng, H.; Yu, R.; Yan, Y.; He, D.; Cao, S.; Van Tendeloo, G.; Li, G.; Zhang, Q.; Tang, X.; Wu, J. |
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Title |
Phase-transformation-induced giant deformation in thermoelectric Ag₂Se semiconductor |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Advanced Functional Materials |
Abbreviated Journal |
Adv Funct Mater |
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Volume |
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Issue |
|
Pages |
2106938 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
In most semiconducting metal chalcogenides, a large deformation is usually accompanied by a phase transformation, while the deformation mechanism remains largely unexplored. Herein, a phase-transformation-induced deformation in Ag2Se is investigated by in situ transmission electron microscopy, and a new ordered high-temperature phase (named as alpha '-Ag2Se) is identified. The Se-Se bonds are folded when the Ag+-ion vacancies are ordered and become stretched when these vacancies are disordered. Such a stretch/fold of the Se-Se bonds enables a fast and large deformation occurring during the phase transition. Meanwhile, the different Se-Se bonding states in alpha-, alpha '-, beta-Ag2Se phases lead to the formation of a large number of nanoslabs and the high concentration of dislocations at the interface, which flexibly accommodate the strain caused by the phase transformation. This study reveals the atomic mechanism of the deformation in Ag2Se inorganic semiconductors during the phase transition, which also provides inspiration for understanding the phase transition process in other functional materials. |
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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 |
000695142800001 |
Publication Date |
2021-09-13 |
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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 |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1616-301x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.124 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
|
Approved |
Most recent IF: 12.124 |
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Call Number |
UA @ admin @ c:irua:181527 |
Serial |
6879 |
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| Permanent link to this record |
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Author |
Liang, Y.-S.; Xue, C.; Zhang, Y.-R.; Wang, Y.-N. |
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Title |
Investigation of active species in low-pressure capacitively coupled N-2/Ar plasmas |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Physics Of Plasmas |
Abbreviated Journal |
Phys Plasmas |
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| |
Volume |
28 |
Issue |
1 |
Pages |
013510 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In this paper, a self-consistent fluid model is developed focusing on the plasma parameters in capacitively coupled 20% N 2-80% Ar discharges. Measurements of ion density are performed with the help of a floating double probe, and the emission intensities from Ar(4p) and N 2 ( B ) transitions are detected by an optical emission spectroscopy to estimate their relative densities. The consistency between the numerical and experimental results confirms the reliability of the simulation. Then the plasma characteristics, specifically the reaction mechanisms of active species, are analyzed under various voltages. The increasing voltage leads to a monotonous increase in species density, whereas a less homogeneous radial distribution is observed at a higher voltage. Due to the high concentration of Ar gas, Ar + becomes the main ion, followed by the N 2 +</mml:msubsup> ion. Besides the electron impact ionization of neutrals, the charge transfer processes of Ar +/ N 2 and N 2 +</mml:msubsup>/Ar are found to have an impact on the ionic species. The results indicate that adopting the lower charge transfer reaction rate coefficients weakens the Ar + ion density and yields a higher N 2 +</mml:msubsup> ion density. However, the effect on the species spatial distributions and other species densities is limited. As for the excited-state species, the electron impact excitation of background gases remains overwhelming in the formation of Ar(4p), N 2 ( B ), and N 2 ( a ' ), whereas the <mml:msub> N 2 ( A ) molecules are mainly formed by the decay of <mml:msub> N 2 ( B ). In addition, the dissociation of <mml:msub> N 2 collided by excited-state Ar atoms dominates the N generation, which are mostly depleted to produce N + ions. |
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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 |
000629931300002 |
Publication Date |
2021-01-22 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
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| |
ISSN |
1070-664x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.115 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 2.115 |
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| |
Call Number |
UA @ admin @ c:irua:177669 |
Serial |
6767 |
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| Permanent link to this record |
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Author |
Lin, A.; Razzokov, J.; Verswyvel, H.; Privat-Maldonado, A.; De Backer, J.; Yusupov, M.; Cardenas De La Hoz, E.; Ponsaerts, P.; Smits, E.; Bogaerts, A. |
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Title |
Oxidation of Innate Immune Checkpoint CD47 on Cancer Cells with Non-Thermal Plasma |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Cancers |
Abbreviated Journal |
Cancers |
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| |
Volume |
13 |
Issue |
3 |
Pages |
579 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Laboratory for Experimental Hematology (LEH); Center for Oncological Research (CORE) |
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Abstract |
Non-thermal plasma (NTP) therapy has been emerging as a promising cancer treatment strategy, and recently, its ability to locally induce immunogenic cancer cell death is being unraveled. We hypothesized that the chemical species produced by NTP reduce immunosuppressive surface proteins and checkpoints that are overexpressed on cancerous cells. Here, 3D in vitro tumor models, an in vivo mouse model, and molecular dynamics simulations are used to investigate the effect of NTP on CD47, a key innate immune checkpoint. CD47 is immediately modulated after NTP treatment and simulations reveal the potential oxidized salt-bridges responsible for conformational changes. Umbrella sampling simulations of CD47 with its receptor, signal-regulatory protein alpha (SIRPα), demonstrate that the induced-conformational changes reduce its binding affinity. Taken together, this work provides new insight into fundamental, chemical NTP-cancer cell interaction mechanisms and a previously overlooked advantage of present NTP cancer therapy: reducing immunosuppressive signals on the surface of cancer cells. |
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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 |
000614960600001 |
Publication Date |
2021-02-02 |
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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 |
2072-6694 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
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Notes |
We thank Erik Fransen (University of Antwerp; Antwerp, Belgium) for his help and guidance on the statistical analysis. |
Approved |
Most recent IF: NA |
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Call Number |
PLASMANT @ plasmant @c:irua:176455 |
Serial |
6709 |
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| Permanent link to this record |
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Author |
Liu, P.; Arslan Irmak, E.; De Backer, A.; De wael, A.; Lobato, I.; Béché, A.; Van Aert, S.; Bals, S. |
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Title |
Three-dimensional atomic structure of supported Au nanoparticles at high temperature |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
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Volume |
13 |
Issue |
|
Pages |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Au nanoparticles (NPs) deposited on CeO2 are extensively used as thermal catalysts since the morphology of the NPs is expected to be stable at elevated temperatures. Although it is well known that the activity of Au NPs depends on their size and surface structure, their three-dimensional (3D) structure at the atomic scale has not been completely characterized as a function of temperature. In this paper, we overcome the limitations of conventional electron tomography by combining atom counting applied to aberration-corrected scanning transmission electron microscopy images and molecular dynamics relaxation. In this manner, we are able to perform an atomic resolution 3D investigation of supported Au NPs. Our results enable us to characterize the 3D equilibrium structure of single NPs as a function of temperature. Moreover, the dynamic 3D structural evolution of the NPs at high temperatures, including surface layer jumping and crystalline transformations, has been studied. |
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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 |
000612999200029 |
Publication Date |
2020-12-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2040-3364 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.367 |
Times cited |
13 |
Open Access |
OpenAccess |
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Notes |
This work was supported by the European Research Council (Grant 815128 REALNANO to SB, Grant 770887 PICOMETRICS to SVA, Grant 823717 ESTEEM3). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through grants to A. D. w. and A. D. B. and project funding G.0267.18N.; sygma; esteem3JRA; esteem3reported |
Approved |
Most recent IF: 7.367 |
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Call Number |
EMAT @ emat @c:irua:174858 |
Serial |
6665 |
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| Permanent link to this record |
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Author |
Locardi, F.; Samoli, M.; Martinelli, A.; Erdem, O.; Vale Magalhaes, D.; Bals, S.; Hens, Z. |
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Title |
Cyan emission in two-dimensional colloidal Cs2CdCl4:SB3+ Ruddlesden-Popper phase nanoplatelets |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Acs Nano |
Abbreviated Journal |
Acs Nano |
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| |
Volume |
15 |
Issue |
11 |
Pages |
17729-17737 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Metal halide perovskites are one of the most investigated materials in optoelectronics, with their lead-based counterparts being renowned for their enhanced optoelectronic performance. The 3D CsPbX3 structure has set the standard with many studies currently attempting to substitute lead with other metals while retaining the properties of this material. This effort has led to the fabrication of metal halides with lower dimensionality, wherein particular 2D layered perovskite structures have captured attention as inspiration for the next generation of colloidal semiconductors. Here we report the synthesis of the Ruddlesden-Popper Cs2CdCl4:Sb3+ phase as colloidal nanoplatelets (NPs) using a facile hot injection approach under atmospheric conditions. Through strict adjustment of the synthesis parameters with emphasis on the ligand ratio, we obtained NPs with a relatively uniform size and good morphological control. The particles were characterized through transmission electron microscopy, synchrotron X-ray diffraction, and pair distribution function analysis. The spectroscopic characterization revealed most strikingly an intense cyan emission under UV excitation with a measured PLQY of similar to 20%. The emission was attributed to the Sb3+-doping within the structure. |
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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 |
000747115200053 |
Publication Date |
0000-00-00 |
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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 |
1936-0851 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
13.942 |
Times cited |
34 |
Open Access |
OpenAccess |
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Notes |
The authors acknowledge the European Synchrotron Radiation Facility for provision of synchrotron radiation facilities and they would like to thank Andrew Fitch for assistance in using beamline ID22 (proposal HC-4098). Z.H. and S.B acknowledge funding from the Research Foundation − Flanders (FWO-Vlaanderen under the SBO − PROCEED project (No: S0002019N). Z.H. acknowledges Ghent University for funding (BOF-GOA 01G01019). S.B. is grateful to the European Research Council (ERC Consolidator Grant 815128, REALNANO). F.L. thanks Emanuela Sartori and Stefano Toso for the fruitful discussions. M.S. would like to thank Olivier Janssens for collecting XRPD data and Gabriele Pippia for helpful insights and discussions. |
Approved |
Most recent IF: 13.942 |
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| |
Call Number |
UA @ admin @ c:irua:186465 |
Serial |
7059 |
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| Permanent link to this record |
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Author |
Loenders, B.; Engelmann, Y.; Bogaerts, A. |
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Title |
Plasma-Catalytic Partial Oxidation of Methane on Pt(111): A Microkinetic Study on the Role of Different Plasma Species |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
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| |
Volume |
125 |
Issue |
5 |
Pages |
2966-2983 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Movement Antwerp (MOVANT) |
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Abstract |
We use microkinetic modeling to examine the potential of plasma-catalytic partial oxidation (POX) of CH4 as a promising new approach to produce oxygenates. We study how different plasma species affect POX of CH4 on the Pt(111) surface, and we discuss the associated kinetic and mechanistic changes. We discuss the effect of vibrationally excited CH4 and O2, as well as plasma-generated radicals and stable intermediates. Our results show that vibrational excitation enhances the turnover frequency (TOF) of catalytic CH4 dissociation and has good potential for improving the selectivities toward CH3OH, HCOOH, and C2 hydrocarbons. Nevertheless, when also considering plasma-generated radicals, we find that these species mainly govern the surface chemistry. Additionally, we find that plasma-generated radicals and stable intermediates enhance the TOFs of COx and oxygenates, increase the selectivity toward oxygenates, and make the formation of HCOOH more significant on Pt(111). We also briefly illustrate the potential impact of Eley−Rideal reactions that involve plasma-generated radicals. Finally, we reveal how various radicals affect the catalyst surface chemistry and we link this to the formation of different products. This allows us to make suggestions on how the plasma composition should be altered to improve the formation of desired products. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000619760700017 |
Publication Date |
2021-02-11 |
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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 |
|
Series Issue |
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Edition |
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ISSN |
1932-7447 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
Universiteit Antwerpen; Fonds Wetenschappelijk Onderzoek, S001619N ; H2020 European Research Council, 810182 ; We thank Tom Butterworth for the interesting discussions regarding the calculation of the vibrational populations of methane and for taking the time to share his thoughts and experiences on the matter. This research is supported by the FWO-SBO project PLASMACATDesign (grant number S001619N). We also acknowledge financial support from the TOP-BOF project of the University of Antwerp and from the European Research Council (ERC) under the European Union’s Horizon 2020 Research and Innovation Program (grant agreement no. 810182SCOPE ERC Synergy project). The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (Department EWI), and the University of Antwerp. |
Approved |
Most recent IF: 4.536 |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:175873 |
Serial |
6672 |
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| Permanent link to this record |
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Author |
Logie, E.; Chirumamilla, C.S.; Perez-Novo, C.; Shaw, P.; Declerck, K.; Palagani, A.; Rangarajan, S.; Cuypers, B.; De Neuter, N.; Mobashar Hussain Urf Turabe, F.; Kumar Verma, N.; Bogaerts, A.; Laukens, K.; Offner, F.; Van Vlierberghe, P.; Van Ostade, X.; Berghe, W.V. |
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Title |
Covalent Cysteine Targeting of Bruton’s Tyrosine Kinase (BTK) Family by Withaferin-A Reduces Survival of Glucocorticoid-Resistant Multiple Myeloma MM1 Cells |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Cancers |
Abbreviated Journal |
Cancers |
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| |
Volume |
13 |
Issue |
7 |
Pages |
1618 |
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Keywords |
A1 Journal article; ADReM Data Lab (ADReM); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Multiple myeloma (MM) is a hematological malignancy characterized by plasma cells’ uncontrolled growth. The major barrier in treating MM is the occurrence of primary and acquired therapy resistance to anticancer drugs. Often, this therapy resistance is associated with constitutive hyperactivation of tyrosine kinase signaling. Novel covalent kinase inhibitors, such as the clinically approved BTK inhibitor ibrutinib (IBR) and the preclinical phytochemical withaferin A (WA), have, therefore, gained pharmaceutical interest. Remarkably, WA is more effective than IBR in killing BTK-overexpressing glucocorticoid (GC)-resistant MM1R cells. To further characterize the kinase inhibitor profiles of WA and IBR in GC-resistant MM cells, we applied phosphopeptidome- and transcriptome-specific tyrosine kinome profiling. In contrast to IBR, WA was found to reverse BTK overexpression in GC-resistant MM1R cells. Furthermore, WA-induced cell death involves covalent cysteine targeting of Hinge-6 domain type tyrosine kinases of the kinase cysteinome classification, including inhibition of the hyperactivated BTK. Covalent interaction between WA and BTK could further be confirmed by biotin-based affinity purification and confocal microscopy. Similarly, molecular modeling suggests WA preferably targets conserved cysteines in the Hinge-6 region of the kinase cysteinome classification, favoring inhibition of multiple B-cell receptors (BCR) family kinases. Altogether, we show that WA’s promiscuous inhibition of multiple BTK family tyrosine kinases represents a highly effective strategy to overcome GC-therapy resistance in MM. |
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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 |
000638328000001 |
Publication Date |
2021-03-31 |
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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 |
|
Series Issue |
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Edition |
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| |
ISSN |
2072-6694 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
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Open Access |
OpenAccess |
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| |
Notes |
The authors thank Eva Lion, Head of Tumor Immunology Group of the Laboratory of Experimental Hematology (University of Antwerp), for kindly providing GC‐resistant U266 cells. |
Approved |
Most recent IF: NA |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:177781 |
Serial |
6751 |
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| Permanent link to this record |
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Author |
Lyu, Y.-Y.; Jiang, J.; Wang, Y.-L.; Xiao, Z.-L.; Dong, S.; Chen, Q.-H.; Milošević, M.V.; Wang, H.; Divan, R.; Pearson, J.E.; Wu, P.; Peeters, F.M.; Kwok, W.-K. |
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Title |
Superconducting diode effect via conformal-mapped nanoholes |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Nature Communications |
Abbreviated Journal |
Nat Commun |
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| |
Volume |
12 |
Issue |
1 |
Pages |
2703 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
A superconducting diode is an electronic device that conducts supercurrent and exhibits zero resistance primarily for one direction of applied current. Such a dissipationless diode is a desirable unit for constructing electronic circuits with ultralow power consumption. However, realizing a superconducting diode is fundamentally and technologically challenging, as it usually requires a material structure without a centre of inversion, which is scarce among superconducting materials. Here, we demonstrate a superconducting diode achieved in a conventional superconducting film patterned with a conformal array of nanoscale holes, which breaks the spatial inversion symmetry. We showcase the superconducting diode effect through switchable and reversible rectification signals, which can be three orders of magnitude larger than that from a flux-quantum diode. The introduction of conformal potential landscapes for creating a superconducting diode is thereby proven as a convenient, tunable, yet vastly advantageous tool for superconducting electronics. This could be readily applicable to any superconducting materials, including cuprates and iron-based superconductors that have higher transition temperatures and are desirable in device applications. A superconducting diode is dissipationless and desirable for electronic circuits with ultralow power consumption, yet it remains challenging to realize it. Here, the authors achieve a superconducting diode in a conventional superconducting film patterned with a conformal array of nanoscale holes. |
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000658724200018 |
Publication Date |
2021-05-11 |
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2041-1723 |
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UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.124 |
Times cited |
23 |
Open Access |
OpenAccess |
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Most recent IF: 12.124 |
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Call Number |
UA @ admin @ c:irua:179611 |
Serial |
7024 |
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Author |
MacArthur, K.E.; Yankovich, A.B.; Béché, A.; Luysberg, M.; Brown, H.G.; Findlay, S.D.; Heggen, M.; Allen, L.J. |
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Optimizing Experimental Conditions for Accurate Quantitative Energy-Dispersive X-ray Analysis of Interfaces at the Atomic Scale |
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A1 Journal article |
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2021 |
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Microscopy And Microanalysis |
Abbreviated Journal |
Microsc Microanal |
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1-15 |
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A1 Journal article; Electron microscopy for materials research (EMAT) |
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The invention of silicon drift detectors has resulted in an unprecedented improvement in detection efficiency for energy-dispersive X-ray (EDX) spectroscopy in the scanning transmission electron microscope. The result is numerous beautiful atomic-scale maps, which provide insights into the internal structure of a variety of materials. However, the task still remains to understand exactly where the X-ray signal comes from and how accurately it can be quantified. Unfortunately, when crystals are aligned with a low-order zone axis parallel to the incident beam direction, as is necessary for atomic-resolution imaging, the electron beam channels. When the beam becomes localized in this way, the relationship between the concentration of a particular element and its spectroscopic X-ray signal is generally nonlinear. Here, we discuss the combined effect of both spatial integration and sample tilt for ameliorating the effects of channeling and improving the accuracy of EDX quantification. Both simulations and experimental results will be presented for a perovskite-based oxide interface. We examine how the scattering and spreading of the electron beam can lead to erroneous interpretation of interface compositions, and what approaches can be made to improve our understanding of the underlying atomic structure. |
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000664532400007 |
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2021-04-12 |
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1431-9276 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.891 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
The authors would like to thank Jürgen Schubert for helping to supply the sample and valuable discussions on the topic. K. E. MacArthur and M. Heggen acknowledge the Helmholtz Funding agency and the DFG (grant number HE 7192/1-2) for their financial support of this work. L. J. Allen acknowledges the support of the Alexander von Humboldt Foundation. This research was supported under the Discovery Projects funding scheme of the Australian Research Council (Projects DP140102538 and FT190100619). K.E. MacArthur, A.B. Yankovich and A. Béché acknowledge support from the European Union’s Horizon 2020 research innovation program under grant agreement No. 823717 – ESTEEM3. A.B. Yankovich also acknowledges support from the Materials Science Area of Advance at Chalmers and the Swedish Research Council (VR, under grant No: 2020-04986).; esteem3TA; esteem3reported |
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Most recent IF: 1.891 |
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EMAT @ emat @c:irua:178129 |
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6760 |
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Maciel de Menezes, R. |
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Skyrmionics and magnonics in chiral ferromagnets : from micromagnetic to atomistic control |
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Doctoral thesis |
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2021 |
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222 p. |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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The precise control of skyrmionics and magnonics in magnetic materials is key to the development of novel spin-based technology and information transport applications. Essentially, the inherent stability of magnetic skyrmions (provided by their topological charge) together with their extremely small size (down to a few nanometers) and the ultralow threshold current necessary to move them in nanostructures are the main advantages of skyrmionics. Not least, magnonics offers lower power consumption compared to electronics and the excitation of high frequency (sub-100~nm wavelength) magnons makes it possible for the creation of nanometric devices for ultrafast information transport. Even though extensive research has been carried out in recent years, the precise manipulation of skyrmions and spin waves (magnons) in nanostructures is not fully mastered and needs to be addressed before making functional skyrmionic and magnonic devices. In this thesis, we reveal multiple alternatives for the manipulation of skyrmions and spin-waves in different materials, such as bulk chiral magnets, heterochiral structures, magnet-supperconductor hybrids and two-dimentional magnetic materials. We make use of a multiscale model to numerically simulate the magnetic states at each considered material, from micromagnetic to atomistic control. We first explore the different nucleation mechanisms, activation energy, and the time evolution of the skyrmion formation in chiral magnetic films, crucial for the realization of skyrmion-based devices. We show that the skyrmion lattice is formed from the conical phase progressively, most probably by the formation of chiral bobbres, followed by the cylindrical growth of individual skyrmions from the film surface. That reflects a rod-like (one-dimensional) nucleation of the skyrmion phase, with an activation barrier of several electronvolts per skyrmion for the case of MnSi (Manganese monosilicide). In addition, we reveal the interesting blinking (creation-annihilation) behavior of skyrmions close to the phase boundary between the conical and skyrmion phases, where we recall that such switching between topologically distinct states has been proposed as a bit operation for information storage. Next, we discuss the motion of ferromagnetic and antiferromagnetic skyrmions in heterochiral magnets. We report the characteristic deflection of ferromagnetic skyrmions when moving across a heterochiral interface, where the extent of such deflection is tuned by the applied spin-polarized current and the magnitude of Dzyaloshinskii-Moriya interaction. Following, we show that the antiferromagnetic skyrmion achieves much higher velocities than its ferromagnetic counterpart, yet experiences far stronger confinement in nanoengineered heterochiral tracks, which reinforces antiferromagnetic skyrmions as a favorable choice for skyrmion-based devices. After that, we study the interesting coupling of magnetic skyrmions and superconducting vortices in magnet-superconductor heterostructures. We perform numerical simulations, based on experimental observations, to demonstrate that the stray field of magnetic skyrmions can nucleate antivortices in an adjacent superconducting film, giving rise to a hybrid topological object, the skyrmion-vortex pair, which harbor promising features for skyrmionics and quantum computing applications. We then explore the manipulation of a single skyrmion-vortex pair when currents are applied into both superconducting and magnetic parts of the heterostructure, which is of importance for the facilitated skyrmion guidance in racetrack applications. Afterwards, we make use of the high tunability of magnetic parameters in two-dimensional magnetic materials to reveal the rich phase diagram of exotic magnetic configurations in magnetic monolayers with suppressed nearest-neighbour exchange, where we show that several unique cycloidal, checkerboard, row-wise and spin-ice states are stabilized by the competition between the second-nearest-neighbor exchange, Dzyaloshinskii-Moriya, and dipolar interactions. Additionally, we show the coexistence of ferromagnetic and antiferromagnetic spin-cycloids, as well as novel types of skyrmions and chiral domain walls. Finally, in the last part of the thesis, we present the spin wave properties in the two-dimensional magnetic materials CrBr$3$ and CrI$3$. Using spin-dynamics simulations parametrized from first principles, we reveal that the spin wave dispersion in such materials can be tuned in a broad range of frequencies by strain-engineering, and that a designed pattern of strain, as well as structural defects (halide vacancies) can be turned useful in the design of spin-wave guides. Lastly, we discuss the realization of magnonic crystals by moiré-periodic modulation of magnetic parameters in van der Waals heterostructures, where we show that the several nanometer small periodicities in such samples are ideal for the interference of terahertz spin waves. Recalling the wide range of possibilities for manipulating spin waves in such two-dimensional materials, we therefore suggest these systems as a front-runner for prospective terahertz magnonic applications. |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:184244 |
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7019 |
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