|
Records |
Links |
|
Author |
Velazco, A.; Nord, M.; Béché, A.; Verbeeck, J. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Evaluation of different rectangular scan strategies for STEM imaging |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
|
|
Volume |
|
Issue |
|
Pages |
113021 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
STEM imaging is typically performed by raster scanning a focused electron probe over a sample. Here we investigate and compare three different scan patterns, making use of a programmable scan engine that allows to arbitrarily set the sequence of probe positions that are consecutively visited on the sample. We compare the typical raster scan with a so-called ‘snake’ pattern where the scan direction is reversed after each row and a novel Hilbert scan pattern that changes scan direction rapidly and provides an homogeneous treatment of both scan directions. We experimentally evaluate the imaging performance on a single crystal test sample by varying dwell time and evaluating behaviour with respect to sample drift. We demonstrate the ability of the Hilbert scan pattern to more faithfully represent the high frequency content of the image in the presence of sample drift. It is also shown that Hilbert scanning provides reduced bias when measuring lattice parameters from the obtained scanned images while maintaining similar precision in both scan directions which is especially important when e.g. performing strain analysis. Compared to raster scanning with flyback correction, both snake and Hilbert scanning benefit from dose reduction as only small probe movement steps occur. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000544042800007 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-05-21 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0304-3991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.2 |
Times cited |
13 |
Open Access |
OpenAccess |
|
|
Notes |
A.V., A.B. and J.V. acknowledge funding through FWO project G093417N ('Compressed sensing enabling low dose imaging in transmission electron microscopy') from the Flanders Research Fund. M.N. received support for this work from the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 838001. J.V acknowledges funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No 823717 – ESTEEM3. |
Approved |
Most recent IF: 2.2; 2020 IF: 2.843 |
|
|
Call Number |
EMAT @ emat @c:irua:169225 |
Serial |
6369 |
|
Permanent link to this record |
|
|
|
|
Author |
Yan, X.F.; Chen, Q.; Li, L.L.; Guo, H.Z.; Peng, J.Z.; Peeters, F.M. |
![goto web page url](http://nano.uantwerpen.be/nanorefs/img/www.gif)
![find record details (via OpenURL) openurl](img/xref.gif)
|
|
Title |
High performance piezotronic spin transistors using molybdenum disulfide nanoribbon |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Nano Energy |
Abbreviated Journal |
Nano Energy |
|
|
Volume |
75 |
Issue |
|
Pages |
104953 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
|
Abstract |
Two-dimensional (2D) materials are promising candidates for atomic-scale piezotronics and piezophototronics. Quantum edge states show fascinating fundamental physics such as nontrivial topological behavior and hold promising practical applications for low-power electronic devices. Here, using the tight-binding approach and quantum transport simulations, we investigate the piezotronic effect on the spin polarization of edge states in a zigzag-terminated monolayer MoS2 nanoribbon. We find that the strain-induced piezoelectric potential induces a phase transition of edge states from metal to semiconductor. However, in the presence of exchange field, edge states become semi-metallic with significant spin splitting and polarization that can be tuned by external strain. We show that quantum transport conductance exhibits a 100% spin polarization over a wide range of strain magnitudes. This effect is used in a propose prototype of piezotronic spin transistor. Our results provide a fundamental understanding of the piezotronic effect on edge states in zigzag monolayer MoS2 nanoribbons and are relevant for designing high-performance piezotronic spin devices. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000560729200011 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-05-24 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2211-2855 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
17.6 |
Times cited |
20 |
Open Access |
|
|
|
Notes |
; This work was supported by Hunan Provincial Natural Science Foundation of China (Nos. 2015JJ2040, 2018JJ2078), Scientific Research Fund of Hunan Provincial Education Department (19A106), and the Funeral Service Foundation (FWO-VI). ; |
Approved |
Most recent IF: 17.6; 2020 IF: 12.343 |
|
|
Call Number |
UA @ admin @ c:irua:171123 |
Serial |
6535 |
|
Permanent link to this record |
|
|
|
|
Author |
Capson-Tojo, G.; Batstone, D.J.; Grassino, M.; Vlaeminck, S.E.; Puyol, D.; Verstraete, W.; Kleerebezem, R.; Oehmen, A.; Ghimire, A.; Pikaar, I.; Lema, J.M.; Hülsen, T.; Grassino, M.; Hulsen, T. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Purple phototrophic bacteria for resource recovery : challenges and opportunities |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Biotechnology Advances |
Abbreviated Journal |
Biotechnol Adv |
|
|
Volume |
43 |
Issue |
|
Pages |
107567-27 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
|
|
Abstract |
Sustainable development is driving a rapid focus shift in the wastewater and organic waste treatment sectors, from a “removal and disposal” approach towards the recovery and reuse of water, energy and materials (e.g. carbon or nutrients). Purple phototrophic bacteria (PPB) are receiving increasing attention due to their capability of growing photoheterotrophically under anaerobic conditions. Using light as energy source, PPB can simultaneously assimilate carbon and nutrients at high efficiencies (with biomass yields close to unity (1 g CODbiomass·g CODremoved−1)), facilitating the maximum recovery of these resources as different value-added products. The effective use of infrared light enables selective PPB enrichment in non-sterile conditions, without competition with other phototrophs such as microalgae if ultraviolet-visible wavelengths are filtered. This review reunites results systematically gathered from over 177 scientific articles, aiming at producing generalized conclusions. The most critical aspects of PPB-based production and valorisation processes are addressed, including: (i) the identification of the main challenges and potentials of different growth strategies, (ii) a critical analysis of the production of value-added compounds, (iii) a comparison of the different value-added products, (iv) insights into the general challenges and opportunities and (v) recommendations for future research and development towards practical implementation. To date, most of the work has not been executed under real-life conditions, relevant for full-scale application. With the savings in wastewater discharge due to removal of organics, nitrogen and phosphorus as an important economic driver, priorities must go to using PPB-enriched cultures and real waste matrices. The costs associated with artificial illumination, followed by centrifugal harvesting/dewatering and drying, are estimated to be 1.9, 0.3–2.2 and 0.1–0.3 $·kgdry biomass−1. At present, these costs are likely to exceed revenues. Future research efforts must be carried out outdoors, using sunlight as energy source. The growth of bulk biomass on relatively clean wastewater streams (e.g. from food processing) and its utilization as a protein-rich feed (e.g. to replace fishmeal, 1.5–2.0 $·kg−1) appears as a promising valorisation route. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000572355300007 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-05-26 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0734-9750 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
16 |
Times cited |
6 |
Open Access |
|
|
|
Notes |
; Tim Hulsen acknowledges The Queensland Government, GHD, Ridley, Aquatec Maxcon and Ingham for financial support as part of an Advanced Queensland Industry Fellowship (061-2018). This project is supported by Meat and Livestock Australia through funding from the Australian Government Department of Agriculture, Water and the Environment (Australia; RnD4Profit-16-03-002) as part of its Rural R&D for Profit program and the partners. Gabriel Capson-Tojo is grateful to the Xunta de Galicia (Spain) for his postdoctoral fellowship (ED481B-2018/017). The authors acknowledge Eucalyp, Freepick, Good Ware, Nhor Phai, photo3idea_studio, smalllikea and Smashicons for the icons used (taken from www.flaticon.com). ; |
Approved |
Most recent IF: 16; 2020 IF: 10.597 |
|
|
Call Number |
UA @ admin @ c:irua:169736 |
Serial |
6588 |
|
Permanent link to this record |
|
|
|
|
Author |
Larrain, M.; Van Passel, S.; Thomassen, G.; Kresovic, U.; Alderweireldt, N.; Moerman, E.; Billen, P. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Economic performance of pyrolysis of mixed plastic waste: Open-loop versus closed-loop recycling |
Type |
A1 Journal Article |
|
Year |
2020 |
Publication |
Journal Of Cleaner Production |
Abbreviated Journal |
J Clean Prod |
|
|
Volume |
|
Issue |
|
Pages |
122442 |
|
|
Keywords |
A1 Journal Article; Engineering Management (ENM) ; |
|
|
Abstract |
In recent decades new recycling technologies for mixed plastic waste have emerged. In pyrolysis, the polymer chains are thermally broken (pyrolyzed) to obtain hydrocarbon materials of different molecular weights such as naphtha, oil or waxes, whose yields can be controlled by varying the reaction parameters. Naphtha represents a closed-loop recycling process as it is a feedstock for (poly)olefins; while the co-production of waxes, having several applications in e.g. the construction industry, exemplifies an open-loop recycling process. This paper compares the economic performance of the pyrolysis of mixed polyolefin waste in a closed-loop and open-loop scheme, including a probabilistic approach to the most important variables. From an economic perspective, open-loop pyrolysis as presented outperforms closed-loop recycling, due to the high prices of wax. However, the results present a high dispersion caused by the volatility of the prices of crude oil and its derivates. Considering the current oil price projections, our case study analysis showed that for open-loop recycling there is a future probability of almost a 98 % of observing positive results and around 57 % of probability in the case of closed-loop recycling, under the assumptions made. Yet, in a future scenario where decarbonized electricity would decrease oil prices, the probability of a positive outcome reduces to 57 % for the open-loop case and to less than 8 % in the case of closed-loop recycling. To make these pathways attractive to investors, the nameplate capacity should be at least 70 kt/year for open-loop recycling and 115 kt/year for closed-loop recycling. A 120 kt/year plant should operate minimally at 80 % of its capacity for open-loop recycling, while closed-loop recycling would demand running close to maximum capacity. Security of feedstock supply therefore is required. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000579071300078 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-05-28 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0959-6526 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
11.1 |
Times cited |
|
Open Access |
|
|
|
Notes |
This work was supported by the VLAIO Catalisti-ICON project MATTER (Mechanical and Thermochemical Recycling of mixed plastic waste; project HBC.2018.0262). |
Approved |
Most recent IF: 11.1; 2020 IF: 5.715 |
|
|
Call Number |
ENM @ enm @c:irua:170005 |
Serial |
6385 |
|
Permanent link to this record |
|
|
|
|
Author |
Larrain, M.; Van Passel, S.; Thomassen, G.; Kresovic, U.; Alderweireldt, N.; Moerman, E.; Billen, P. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Economic performance of pyrolysis of mixed plastic waste: Open-loop versus closed-loop recycling |
Type |
A1 Journal Article |
|
Year |
2020 |
Publication |
Journal Of Cleaner Production |
Abbreviated Journal |
J Clean Prod |
|
|
Volume |
|
Issue |
|
Pages |
122442 |
|
|
Keywords |
A1 Journal Article; Engineering Management (ENM) ; |
|
|
Abstract |
In recent decades new recycling technologies for mixed plastic waste have emerged. In pyrolysis, the polymer chains are thermally broken (pyrolyzed) to obtain hydrocarbon materials of different molecular weights such as naphtha, oil or waxes, whose yields can be controlled by varying the reaction parameters. Naphtha represents a closed-loop recycling process as it is a feedstock for (poly)olefins; while the co-production of waxes, having several applications in e.g. the construction industry, exemplifies an open-loop recycling process. This paper compares the economic performance of the pyrolysis of mixed polyolefin waste in a closed-loop and open-loop scheme, including a probabilistic approach to the most important variables. From an economic perspective, open-loop pyrolysis as presented outperforms closed-loop recycling, due to the high prices of wax. However, the results present a high dispersion caused by the volatility of the prices of crude oil and its derivates. Considering the current oil price projections, our case study analysis showed that for open-loop recycling there is a future probability of almost a 98 % of observing positive results and around 57 % of probability in the case of closed-loop recycling, under the assumptions made. Yet, in a future scenario where decarbonized electricity would decrease oil prices, the probability of a positive outcome reduces to 57 % for the open-loop case and to less than 8 % in the case of closed-loop recycling. To make these pathways attractive to investors, the nameplate capacity should be at least 70 kt/year for open-loop recycling and 115 kt/year for closed-loop recycling. A 120 kt/year plant should operate minimally at 80 % of its capacity for open-loop recycling, while closed-loop recycling would demand running close to maximum capacity. Security of feedstock supply therefore is required. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000579071300078 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-05-28 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0959-6526 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
11.1 |
Times cited |
|
Open Access |
|
|
|
Notes |
This work was supported by the VLAIO Catalisti-ICON project MATTER (Mechanical and Thermochemical Recycling of mixed plastic waste; project HBC.2018.0262). |
Approved |
Most recent IF: 11.1; 2020 IF: 5.715 |
|
|
Call Number |
ENM @ enm @c:irua:170005 |
Serial |
6386 |
|
Permanent link to this record |
|
|
|
|
Author |
McNaughton, B.; Milošević, M.V.; Perali, A.; Pilati, S. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Boosting Monte Carlo simulations of spin glasses using autoregressive neural networks |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Physical Review E |
Abbreviated Journal |
Phys Rev E |
|
|
Volume |
101 |
Issue |
5 |
Pages |
053312 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
The autoregressive neural networks are emerging as a powerful computational tool to solve relevant problems in classical and quantum mechanics. One of their appealing functionalities is that, after they have learned a probability distribution from a dataset, they allow exact and efficient sampling of typical system configurations. Here we employ a neural autoregressive distribution estimator (NADE) to boost Markov chain Monte Carlo (MCMC) simulations of a paradigmatic classical model of spin-glass theory, namely, the two-dimensional Edwards-Anderson Hamiltonian. We show that a NADE can be trained to accurately mimic the Boltzmann distribution using unsupervised learning from system configurations generated using standard MCMC algorithms. The trained NADE is then employed as smart proposal distribution for the Metropolis-Hastings algorithm. This allows us to perform efficient MCMC simulations, which provide unbiased results even if the expectation value corresponding to the probability distribution learned by the NADE is not exact. Notably, we implement a sequential tempering procedure, whereby a NADE trained at a higher temperature is iteratively employed as proposal distribution in a MCMC simulation run at a slightly lower temperature. This allows one to efficiently simulate the spin-glass model even in the low-temperature regime, avoiding the divergent correlation times that plague MCMC simulations driven by local-update algorithms. Furthermore, we show that the NADE-driven simulations quickly sample ground-state configurations, paving the way to their future utilization to tackle binary optimization problems. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000535862000014 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-05-28 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1539-3755; 1550-2376 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.366 |
Times cited |
15 |
Open Access |
|
|
|
Notes |
; The authors thank I. Murray, G. Carleo, and F. RicciTersenghi for useful discussions. Financial support from the FAR2018 project titled “Supervised machine learning for quantum matter and computational docking” of the University of Camerino and from the Italian MIUR under Project No. PRIN2017 CEnTraL 20172H2SC4 is gratefully acknowledged. S.P. also acknowledges the CINECA award under the ISCRA initiative, for the availability of high performance computing resources and support. M.V.M. gratefully acknowledges the Visiting Professorship program at the University of Camerino that facilitated the collaboration in this work. ; |
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ admin @ c:irua:170244 |
Serial |
6463 |
|
Permanent link to this record |
|
|
|
|
Author |
Bafekry, A.; Obeid, M.; Nguyen, C.; Bagheri Tagani, M.; Ghergherehchi, M. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Graphene hetero-multilayer on layered platinum mineral Jacutingaite (Pt₂HgSe₃): Van der Waals heterostructures with novel optoelectronic and thermoelectric performances |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Journal Of Materials Chemistry A |
Abbreviated Journal |
J Mater Chem A |
|
|
Volume |
8 |
Issue |
26 |
Pages |
13248-13260 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
|
Abstract |
Motivated by the recent successful synthesis of the layered platinum mineral jacutingaite (Pt2HgSe3), we have studied the optoelectronic, mechanical, and thermoelectric properties of graphene hetero-multilayer on Pt(2)HgSe(3)monolayer (PHS) heterostructures (LG/PHS) by using first-principles calculations. PHS is a topological insulator with a band gap of about 160 meV with fully relativistic calculations; when graphene layers are stacked on PHS, a narrow band gap of similar to 10-15 meV opens. In the presence of gate-voltage and out-of plane strain,i.e.pressure, the electronic properties are modified; the Dirac-cone of graphene can be shifted upwards (downward) to a lower (higher) binding energy. The absorption spectrum shows two peaks, which are located around 216 nm (5.74 eV) and protracted to 490 nm (2.53 eV), indicating that PHS could absorb more visible light. Increasing the number of graphene layers on PHS has a positive impact on the UV-vis light absorption and gives a clear red-shift with enhanced absorption intensity. To investigate the electronic performance of the heterostructure, the electrical conductance and thermopower of a device composed of graphene layers and PHS is examined by a combination of DFT and Green function formalism. The number of graphene layers can significantly tune the thermopower and electrical conductance. This analysis reveals that the heterostructures not only significantly affect the electronic properties, but they can also be used as an efficient way to modulate the optic and thermoelectric properties. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000546391600032 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-05-28 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2050-7488; 2050-7496 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
11.9 |
Times cited |
20 |
Open Access |
|
|
|
Notes |
; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea Government (MSIT) (NRF-2017R1A2B2011989) and Vietnam National Foundation for Science and Technology Development (NAFOSTED) under grant number 103.01-2019.05. ; |
Approved |
Most recent IF: 11.9; 2020 IF: 8.867 |
|
|
Call Number |
UA @ admin @ c:irua:169755 |
Serial |
6529 |
|
Permanent link to this record |
|
|
|
|
Author |
Vanrompay, H.; Buurlage, J.‐W.; Pelt, D.M.; Kumar, V.; Zhuo, X.; Liz‐Marzán, L.M.; Bals, S.; Batenburg, K.J. |
![goto web page url](http://nano.uantwerpen.be/nanorefs/img/www.gif)
![find record details (via OpenURL) openurl](img/xref.gif)
|
|
Title |
Real‐Time Reconstruction of Arbitrary Slices for Quantitative and In Situ 3D Characterization of Nanoparticles |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Particle & Particle Systems Characterization |
Abbreviated Journal |
Part Part Syst Char |
|
|
Volume |
37 |
Issue |
37 |
Pages |
2000073 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
A detailed 3D investigation of nanoparticles at a local scale is of great importance to connect their structure and composition to their properties. Electron tomography has therefore become an important tool for the 3D characterization of nanomaterials. 3D investigations typically comprise multiple steps, including acquisition, reconstruction, and analysis/quantification. Usually, the latter two steps are performed offline, at a dedicated workstation. This sequential workflow prevents on-the-fly control of experimental parameters to improve the quality of the 3D reconstruction, to select a relevant nanoparticle for further characterization or to steer an in-situ tomography experiment. Here, we present an efficient approach to overcome these limitations, based on the real-time reconstruction of arbitrary 2D reconstructed slices through a 3D object. Implementation of this method may lead to generalized implementation of electron tomography for routine nanoparticle characterization in 3D. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000536357100001 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-05-29 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0934-0866 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.7 |
Times cited |
10 |
Open Access |
OpenAccess |
|
|
Notes |
Fonds Wetenschappelijk Onderzoek, 1S32617N ; Fonds Wetenschappelijk Onderzoek, G026718N ; Nederlandse Organisatie voor Wetenschappelijk Onderzoek, 639.073.506 016.Veni.192.235 ; H.V. acknowledges financial support by the Research Foundation Flanders (FWO grant 1S32617N). S.B acknowledges financial support by the Research Foundation Flanders (FWO grant G026718N). Financial support was provided by The Netherlands Organization for Scientific Research (NWO), project numbers 639.073.506 and 016.Veni.192.235. This project received funding as well from the European Union’s Horizon 2020 research and innovation program under grant agreement No 731019 (EUSMI) and No 815128 (REALNANO). H.V. and J.-W.B contributed equally to this work.; sygma |
Approved |
Most recent IF: 2.7; 2020 IF: 4.474 |
|
|
Call Number |
EMAT @ emat @c:irua:169704 |
Serial |
6371 |
|
Permanent link to this record |
|
|
|
|
Author |
Fatermans, J.; den Dekker, Aj.; Müller-Caspary, K.; Gauquelin, N.; Verbeeck, J.; Van Aert, S. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Atom column detection from simultaneously acquired ABF and ADF STEM images |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
|
|
Volume |
219 |
Issue |
|
Pages |
113046 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
|
|
Abstract |
In electron microscopy, the maximum a posteriori (MAP) probability rule has been introduced as a tool to determine the most probable atomic structure from high-resolution annular dark-field (ADF) scanning transmission electron microscopy (STEM) images exhibiting low contrast-to-noise ratio (CNR). Besides ADF imaging, STEM can also be applied in the annular bright-field (ABF) regime. The ABF STEM mode allows to directly visualize light-element atomic columns in the presence of heavy columns. Typically, light-element nanomaterials are sensitive to the electron beam, limiting the incoming electron dose in order to avoid beam damage and leading to images exhibiting low CNR. Therefore, it is of interest to apply the MAP probability rule not only to ADF STEM images, but to ABF STEM images as well. In this work, the methodology of the MAP rule, which combines statistical parameter estimation theory and model-order selection, is extended to be applied to simultaneously acquired ABF and ADF STEM images. For this, an extension of the commonly used parametric models in STEM is proposed. Hereby, the effect of specimen tilt has been taken into account, since small tilts from the crystal zone axis affect, especially, ABF STEM intensities. Using simulations as well as experimental data, it is shown that the proposed methodology can be successfully used to detect light elements in the presence of heavy elements. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000594768500005 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-06-01 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0304-3991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.2 |
Times cited |
9 |
Open Access |
OpenAccess |
|
|
Notes |
The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (No. W.O.010.16N, No. G.0368.15N, No. G.0502.18N, EOS 30489208). This project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (Grant Agreement No. 770887). The authors acknowledge funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No. 823717 – ESTEEM3. The direct electron detector (Medipix3, Quantum Detectors) was funded by the Hercules fund from the Flemish Government. K. M. C. acknowledges funding from the Initiative and Network Fund of the Helmholtz Association (Germany) under contract VH-NG-1317. The authors thank Mark Huijben from the University of Twente (Enschede, The Netherlands) for providing the LiMn2O4 sample used in section 4.2 of this study. N. G., J. V., and S. V. A. acknowledge funding from the University of Antwerp through the Concerted Research Actions (GOA) project Solarpaint and the TOP project. |
Approved |
Most recent IF: 2.2; 2020 IF: 2.843 |
|
|
Call Number |
EMAT @ emat @c:irua:169706 |
Serial |
6373 |
|
Permanent link to this record |
|
|
|
|
Author |
Ben Dkhil, S.; Perkhun, P.; Luo, C.; Mueller, D.; Alkarsifi, R.; Barulina, E.; Quiroz, Y.A.A.; Margeat, O.; Dubas, S.T.; Koganezawa, T.; Kuzuhara, D.; Yoshimoto, N.; Caddeo, C.; Mattoni, A.; Zimmermann, B.; Wuerfel, U.; Pfannmöller, M.; Bals, S.; Ackermann, J.; Videlot-Ackermann, C. |
![goto web page url](http://nano.uantwerpen.be/nanorefs/img/www.gif)
![find record details (via OpenURL) openurl](img/xref.gif)
|
|
Title |
Direct correlation of nanoscale morphology and device performance to study photocurrent generation in donor-enriched phases of polymer solar cells |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Acs Applied Materials & Interfaces |
Abbreviated Journal |
Acs Appl Mater Inter |
|
|
Volume |
12 |
Issue |
25 |
Pages |
28404-28415 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The nanoscale morphology of polymer blends is a key parameter to reach high efficiency in bulk heterojunction solar cells. Thereby, research typically focusing on optimal blend morphologies while studying nonoptimized blends may give insight into blend designs that can prove more robust against morphology defects. Here, we focus on the direct correlation of morphology and device performance of thieno[3,4-b]-thiophene-alt-benzodithiophene (PTB7):[6,6]phenyl C-71 butyric acid methyl ester (PC71BM) bulk heterojunction (BHJ) blends processed without additives in different donor/acceptor weight ratios. We show that while blends of a 1:1.5 ratio are composed of large donor-enriched and fullerene domains beyond the exciton diffusion length, reducing the ratio below 1:0.5 leads to blends composed purely of polymer-enriched domains. Importantly, the photocurrent density in such blends can reach values between 45 and 60% of those reached for fully optimized blends using additives. We provide here direct visual evidence that fullerenes in the donor-enriched domains are not distributed homogeneously but fluctuate locally. To this end, we performed compositional nanoscale morphology analysis of the blend using spectroscopic imaging of low-energy-loss electrons using a transmission electron microscope. Charge transport measurement in combination with molecular dynamics simulations shows that the fullerene substructures inside the polymer phase generate efficient electron transport in the polymer-enriched phase. Furthermore, we show that the formation of densely packed regions of fullerene inside the polymer phase is driven by the PTB7:PC71BM enthalpy of mixing. The occurrence of such a nanoscale network of fullerene clusters leads to a reduction of electron trap states and thus efficient extraction of photocurrent inside the polymer domain. Suitable tuning of the polymer-acceptor interaction can thus introduce acceptor subnetworks in polymer-enriched phases, improving the tolerance for high-efficiency BHJ toward morphological defects such as donor-enriched domains exceeding the exciton diffusion length. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000543780900058 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-06-01 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1944-8244 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
9.5 |
Times cited |
7 |
Open Access |
OpenAccess |
|
|
Notes |
; J.A., O.M., and C.V.-A. acknowledge financial support by the French Fond Unique Interministeriel (FUI) under the project “SFUMATO” (Grant Number: F1110019V/ 201308815) as well as by the European Commission under the Project “SUNFLOWER” (FP7-ICT-2011-7, Grant Number: 287594). J.A., C.V.-A., and E.B. acknowledge the Association Nationale de la Recherche et de la Technologie (ANRT) and the Ministere de l'Enseignement Superieur, de la Recherche et de l'Innovation, awarded through the company Dracula Technologies (Valence, France), for framework of a CIFRE Ph.D. grant 2017/0529. J.A. and P.P. received funding from the European Union's Horizon 2020 research and innovation program under the Marie Sklodowska-Curie Grant agreement no. 713750. They further acknowledge support of the Regional Council of Provence-Alpes-Cote d'Azur, A*MIDEX (no. ANR-11-IDEX-0001-02), and the Investissements d'Avenir project funded by the French Government, managed by the French National Research Agency (ANR). J.A. and Y.A.A.Q. acknowledge the French Research Agency for funding through the project NFA-15 (ANR-17-CE05-0020-01). N.Y. acknowledges that the synchrotron radiation experiments were performed at BL19B2 in SPring-8 with the approval of Japan Synchrotron Radiation Research Institute (JASRI) (proposal nos. 2017B1629 and 2018B1791). S.B. acknowledges financial support from the European Research Council (ERC Consolidator Grant 815128-REALNANO) and from FWO (G.0381.16N). M.P. gratefully acknowledges funding by the Ministerium fur Wissenschaft, Forschung und Kunst Baden-Wurttemberg through the HEiKA materials research centre FunTECH-3D (MWK, 33-753-30-20/3/3) and the Large-Scale-Data-Facility (LSDF) sds@hd through grant INST 35/1314-1 FUGG. A.M. acknowledges Italian MIUR for funding through the project PON04a2 00490 M2M Netergit, PRACE, for awarding access to Marconi KNL at CINECA, Italy, through projects DECONVOLVES (2018184466) and PROVING-IL (2019204911). C.C. acknowledges the CINECA award under the ISCRA initiative for the availability of high-performance computing resources and support (project MITOMASC). ; sygma |
Approved |
Most recent IF: 9.5; 2020 IF: 7.504 |
|
|
Call Number |
UA @ admin @ c:irua:170703 |
Serial |
6484 |
|
Permanent link to this record |
|
|
|
|
Author |
Duan, J.; Ma, M.; Yusupov, M.; Cordeiro, R.M.; Lu, X.; Bogaerts, A. |
![goto web page url](http://nano.uantwerpen.be/nanorefs/img/www.gif)
![find record details (via OpenURL) openurl](img/xref.gif)
|
|
Title |
The penetration of reactive oxygen and nitrogen species across the stratum corneum |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Plasma Processes And Polymers |
Abbreviated Journal |
Plasma Process Polym |
|
|
Volume |
|
Issue |
|
Pages |
|
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
The penetration of reactive oxygen and nitrogen species (RONS) across the stratum corneum (SC) is a necessary and crucial process in many skin‐related plasma medical applications. To gain more insights into this penetration behavior, we combined experimental measurements of the permeability of dry and moist SC layers with computer simulations of model lipid membranes. We measured the permeation of relatively stable molecules, which are typically generated by plasma, namely H2O2, NO3−, and NO2−. Furthermore, we calculated the permeation free energy profiles of the major plasma‐generated RONS and their derivatives (i.e., H2O2, OH, HO2, O2, O3, NO, NO2, N2O4, HNO2, HNO3, NO2−, and NO3−) across native and oxidized SC lipid bilayers, to understand the mechanisms of RONS permeation across the SC. Our results indicate that hydrophobic RONS (i.e., NO, NO2, O2, O3, and N2O4) can translocate more easily across the SC lipid bilayer than hydrophilic RONS (i.e., H2O2, OH, HO2, HNO2, and HNO3) and ions (i.e., NO2− and NO3−) that experience much higher permeation barriers. The permeability of RONS through the SC skin lipids is enhanced when the skin is moist and the lipids are oxidized. These findings may help to understand the underlying mechanisms of plasma interaction with a biomaterial and to optimize the environmental parameters in practice in plasma medical applications. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000536892900001 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-06-02 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1612-8850 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.5 |
Times cited |
|
Open Access |
|
|
|
Notes |
National Natural Science Foundation of China, 51625701 51977096 ; Fonds Wetenschappelijk Onderzoek, 1200219N ; China Scholarship Council, 201806160128 ; M. Y. acknowledges the Research Foundation Flanders (FWO) for financial support (Grant No. 1200219N). This study was partially supported by the National Natural Science Foundation of China (Grant No: 51625701 and 51977096) and the China Scholarship Council (Grant No: 201806160128). All computational work was performed using the Turing HPC infrastructure at the CalcUA Core Facility of the University of Antwerp (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UA. |
Approved |
Most recent IF: 3.5; 2020 IF: 2.846 |
|
|
Call Number |
PLASMANT @ plasmant @c:irua:169709 |
Serial |
6372 |
|
Permanent link to this record |
|
|
|
|
Author |
Van Dijck, J.G.; Mampuys, P.; Ching, H.Y.V.; Krishnan, D.; Baert, K.; Hauffman, T.; Verbeeck, J.; Van Doorslaer, S.; Maes, B.U.W.; Dorbec, M.; Buekenhoudt, A.; Meynen, V. |
![goto web page url](http://nano.uantwerpen.be/nanorefs/img/www.gif)
![find record details (via OpenURL) openurl](img/xref.gif)
|
|
Title |
Synthesis – properties correlation and the unexpected role of the titania support on the Grignard surface modification |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Applied Surface Science |
Abbreviated Journal |
Appl Surf Sci |
|
|
Volume |
527 |
Issue |
|
Pages |
146851-17 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Organic synthesis (ORSY); Applied Electrochemistry & Catalysis (ELCAT) |
|
|
Abstract |
While the impact of reaction conditions on surface modification with Grignard reactants has been studied for silica supports, such information is absent for metal oxides like titania. Differences between modified titania and silica are observed, making it paramount to explore the reaction mechanism. A detailed study on the impact of the reaction conditions is reported, with a focus on the chain length of the alkyl Grignard reactant, its concentration, the reaction time and temperature, and the type of titania support. While the increase in the chain length reduces the amount of organic groups on the surface, the concentration, time and temperature show little/no influence on the modification degree. However, the type of titania support used and the percentage of amorphous phase present has a significant impact on the amount of grafted groups. Even though the temperature and concentration show no clear impact on the modification degree, they can cause changes in the surface hydroxyl population, which are thus not linked to the modification degree. Furthermore, the titania support is reduced during functionalization. This reduction dependents on the reaction temperature, the titania support and the chain length of the Grignard reactant. Similarly, this reduction is not linked to the modification degree. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000564205300003 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-06-03 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
6.7 |
Times cited |
5 |
Open Access |
OpenAccess |
|
|
Notes |
; The FWO (Fonds Wetenschappelijk Onderzoek) is gratefully acknowledged for the VITO-FWO grant of fellow Jeroen G. Van Dijck (11W9416N) and the financial support granted in project GO12712N. The E.U. is acknowledged for H.Y. Vincent Ching's H2020-MSCA-IF (grant number 792946, iSPY). Dileep Krishnan and Johan Verbeeck acknowledge funding from GOA project “solarpaint” of the University of Antwerp. ; |
Approved |
Most recent IF: 6.7; 2020 IF: 3.387 |
|
|
Call Number |
UA @ admin @ c:irua:169722 |
Serial |
6712 |
|
Permanent link to this record |
|
|
|
|
Author |
Kolev, S.; Paunska, T.; Trenchev, G.; Bogaerts, A. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Modeling the CO2 dissociation in pulsed atmospheric-pressure discharge |
Type |
P1 Proceeding |
|
Year |
2020 |
Publication |
Technologies |
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
012007 |
|
|
Keywords |
P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
CO2 dissociation and its subsequent conversion into added-value chemicals is a promising strategy for recycling CO2 gas into reusable products. One of the possible methods is direct plasma-induced dissociation. In this work we study the efficiency of CO2 dissociation in pulsed atmospheric-pressure gas discharge between two conducting electrodes by a 0-D numerical plasma model. The purpose of the study is to provide results on the optimal conditions of CO2 conversion with respect to the energy efficiency and dissociation by varying the maximum power density value and the pulse length. The power density is directly related to the discharge current and the reduced electric field in the discharge. We consider pulse lengths in the range from hundreds of nanosecond up to milliseconds. The results obtained show that the dissociation degree and energy efficiency are sensitive to the pulse length (duration) and the power density, so that a considerable improvement of the discharge performance can be achieved by fine-tuning these parameters. The study is intended to provide guidance in designing an experimental set-up and a power supply with the characteristics necessary to achieve optimal conversion. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000593712900007 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-06-03 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
1492 |
Series Issue |
|
Edition |
|
|
|
ISSN |
1742-6588; 1742-6596 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ admin @ c:irua:174447 |
Serial |
6769 |
|
Permanent link to this record |
|
|
|
|
Author |
Wozniak, T.; Faria, P.E., Jr.; Seifert, G.; Chaves, A.; Kunstmann, J. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Exciton g factors of van der Waals heterostructures from first-principles calculations |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
101 |
Issue |
23 |
Pages |
235408-235411 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
External fields are a powerful tool to probe optical excitations in a material. The linear energy shift of an excitation in a magnetic field is quantified by its effective g factor. Here we show how exciton g factors and their sign can be determined by converged first-principles calculations. We apply the method to monolayer excitons in semiconducting transition metal dichalcogenides and to interlayer excitons in MoSe2/WSe2 heterobilayers and obtain good agreement with recent experimental data. The precision of our method allows us to assign measured g factors of optical peaks to specific transitions in the band structure and also to specific regions of the samples. This revealed the nature of various, previously measured interlayer exciton peaks. We further show that, due to specific optical selection rules, g factors in van der Waals heterostructures are strongly spin and stacking-dependent. The calculation of orbital angular momenta requires the summation over hundreds of bands, indicating that for the considered two-dimensional materials the basis set size is a critical numerical issue. The presented approach can potentially be applied to a wide variety of semiconductors. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000537315100009 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-06-03 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.7 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.7; 2020 IF: 3.836 |
|
|
Call Number |
UA @ admin @ c:irua:170219 |
Serial |
7944 |
|
Permanent link to this record |
|
|
|
|
Author |
Petrishcheva, E.; Tiede, L.; Schweinar, K.; Habler, G.; Li, C.; Gault, B.; Abart, R. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Spinodal decomposition in alkali feldspar studied by atom probe tomography |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Physics And Chemistry Of Minerals |
Abbreviated Journal |
Phys Chem Miner |
|
|
Volume |
47 |
Issue |
7 |
Pages |
Unsp 30 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
We used atom probe tomography to complement electron microscopy for the investigation of spinodal decomposition in alkali feldspar. To this end, gem-quality alkali feldspar of intermediate composition with a mole fraction of a(K) = 0.43 of the K end-member was prepared from Madagascar orthoclase by ion-exchange with (NaK)Cl molten salt. During subsequent annealing at 550 degrees C and close to ambient pressure the ion-exchanged orthoclase unmixed producing a coherent lamellar intergrowth of Na-rich and K-rich lamellae. The chemical separation was completed, and equilibrium Na-K partitioning between the different lamellae was attained within four days, which was followed by microstructural coarsening. After annealing for 4 days, the wavelength of the lamellar microstructure was approximate to 17 nm and it increased to approximate to 30 nm after annealing for 16 days. The observed equilibrium compositions of the Na-rich and K-rich lamellae are in reasonable agreement with an earlier experimental determination of the coherent solvus. The excess energy associated with compositional gradients at the lamellar interfaces was quantified from the initial wavelength of the lamellar microstructure and the lamellar compositions as obtained from atom probe tomography using the Cahn-Hilliard theory. The capability of atom probe tomography to deliver quantitative chemical compositions at nm resolution opens new perspectives for studying the early stages of exsolution. In particular, it helps to shed light on the phase relations in nm scaled coherent intergrowth. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000540150400001 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-06-07 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0342-1791 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.4 |
Times cited |
|
Open Access |
OpenAccess |
|
|
Notes |
; Open access funding provided by Austrian Science Fund (FWF). This project was funded by the FWF Project P28238-N29. KS acknowledges IMPRS-SurMat for funding. Uwe Tezins, Andreas Sturm and Christian Bross are acknowledged for their support at the FIB & APT facilities at MPIE. We gratefully acknowledge the thorough and constructive reviews by Herbert Kroll and Luis Sanchez Munoz, who substantially contributed to improving an earlier version of the manuscript. ; |
Approved |
Most recent IF: 1.4; 2020 IF: 1.521 |
|
|
Call Number |
UA @ admin @ c:irua:170208 |
Serial |
6611 |
|
Permanent link to this record |
|
|
|
|
Author |
Conti, S.; Van der Donck, M.; Perali, A.; Peeters, F.M.; Neilson, D. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Doping-dependent switch from one- to two-component superfluidity in coupled electron-hole van der Waals heterostructures |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
101 |
Issue |
22 |
Pages |
220504-220506 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
The hunt for high-temperature superfluidity has received new impetus from the discovery of atomically thin stable materials. Electron-hole superfluidity in coupled MoSe2-WSe2 monolayers is investigated using a mean-field multiband model that includes band splitting caused by strong spin-orbit coupling. This splitting leads to a large energy misalignment of the electron and hole bands which is strongly modified by interchanging the doping of the monolayers. The choice of doping determines if the superfluidity is tunable from one to two components. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000538941900002 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-06-09 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.7 |
Times cited |
12 |
Open Access |
|
|
|
Notes |
; This work was partially supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl), the Methusalem Foundation, and the FLAG-ERA project TRANS2DTMD. We thank A. R. Hamilton and A. Vargas-Paredes for useful discussions. ; |
Approved |
Most recent IF: 3.7; 2020 IF: 3.836 |
|
|
Call Number |
UA @ admin @ c:irua:170201 |
Serial |
6489 |
|
Permanent link to this record |
|
|
|
|
Author |
Zhao, X.N.; Xu, W.; Xiao, Y.M.; Van Duppen, B. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Spin polarization in monolayer MoS₂ in the presence of proximity-induced interactions |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
International Journal Of Modern Physics C |
Abbreviated Journal |
Int J Mod Phys C |
|
|
Volume |
31 |
Issue |
10 |
Pages |
2050143 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
When monolayer (ML) MoS2 is placed on a substrate, the proximity-induced interactions such as the Rashba spin-orbit coupling (RSOC) and exchange interaction (EI) can be introduced. Thus, the electronic system can behave like a spintronic device. In this study, we present a theoretical study on how the presence of the RSCO and EI can lead to the band splitting, the lifting of the valley degeneracy and to the spin polarization in n- and p-type ML MoS2. We find that the maxima of the in-plane spin orientation in the conduction and valence bands in ML MoS2 depend on the Rashba parameter and the effective Zeeman field factor. At a fixed Rashba parameter, the minima of the split conduction band and the maxima of the split valence band along with the spin polarization in ML MoS2 can be tuned effectively by varying the effective Zeeman field factor. On the basis that the EI can be induced by placing the ML MoS2 on a ferromagnetic substrate or by magnetic doping in ML MoS2, we predict that the interesting spintronic effects can be observed in n- and p-type ML MoS2. This work can be helpful to gain an in-depth understanding of the basic physical properties of ML MoS2 for application in advanced electronic and optoelectronic devices. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000583803200009 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-06-09 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0129-1831 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
1.9 |
Times cited |
|
Open Access |
|
|
|
Notes |
; This work was supported by the Ministry of Science and Technology of China (Grant No. 2011YQ130018), Department of Science and Technology of Yunnan Province and by the Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 1.9; 2020 IF: 1.171 |
|
|
Call Number |
UA @ admin @ c:irua:173635 |
Serial |
6609 |
|
Permanent link to this record |
|
|
|
|
Author |
Zhao, X.N.; Xu, W.; Xiao, Y.M.; Liu, J.; Van Duppen, B.; Peeters, F.M. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Terahertz optical Hall effect in monolayer MoS₂ in the presence of proximity-induced interactions |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
101 |
Issue |
24 |
Pages |
245412-12 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
The effect of proximity-induced interactions such as Rashba spin-orbit coupling (SOC) and exchange interaction on the electronic and optical properties of n-type monolayer (ML) MoS2 is investigated. We predict and demonstrate that the Rashba SOC can induce an in-plane spin splitting with terahertz (THz) energy, while the exchange interaction lifts the energy degeneracy in different valleys. Thus, spin polarization can be achieved in an n-type ML MoS2 and valley Hall or optical Hall effect can be observed using linearly polarized THz radiation. In such a case, the transverse optical conductivity sigma(xy) (omega) results from spin-flip transition within spin-split conduction bands and from the fact that contributions from electrons with different spin orientations in different valleys can no longer be canceled out. Interestingly, we find that for fixed effective Zeeman field (or exchange interaction) the lowest spin-split conduction band in ML MoS2 can be tuned from one in the K valley to another one in the K' valley by varying the Rashba parameter lambda(R). Therefore, by changing lambda(R) we can turn the sign of the spin polarization and Im sigma(xy) (omega) from positive to negative. Moreover, we find that the dominant contribution of the selection rules to sigma(xx)(omega) is from electrons in the K valley and to sigma(xy) (omega) is from electrons in the K' valley. These important and interesting theoretical findings can be helpful to experimental observation of the optical Hall effect in valleytronic systems using linearly polarized THz radiation fields. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000538715500011 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-06-09 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.7 |
Times cited |
8 |
Open Access |
|
|
|
Notes |
; This work was supported by the National Natural Science Foundation of China (Grants No. U1930116, No. U1832153, and No. 11574319) and the Center of Science and Technology of Hefei Academy of Science (Grant No. 2016FXZY002). ; |
Approved |
Most recent IF: 3.7; 2020 IF: 3.836 |
|
|
Call Number |
UA @ admin @ c:irua:170206 |
Serial |
6622 |
|
Permanent link to this record |
|
|
|
|
Author |
Thomassen, G.; Van Passel, S.; Dewulf, J. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
A review on learning effects in prospective technology assessment |
Type |
A1 journal article |
|
Year |
2020 |
Publication |
Renewable & Sustainable Energy Reviews |
Abbreviated Journal |
Renew Sust Energ Rev |
|
|
Volume |
130 |
Issue |
|
Pages |
109937 |
|
|
Keywords |
A1 journal article; Learning effects; Life cycle assessment; Techno-economic assessment; Prospective technology assessment; Learning-by-doing; Learning curve; Progress rate; Experience curve; Engineering Management (ENM) ; |
|
|
Abstract |
Global environmental problems have urged the need for developing sustainable technologies. However, new technologies that enter the market have often higher economic costs and potentially higher environmental impacts than conventional technologies. This can be explained by learning effects: a production process that is performed for the first time runs less smooth than a production process that has been in operation for years. To obtain a fair estimation of the potential of a new technology, learning effects need to be included. A review on the current literature on learning effects was conducted in order to provide guidelines on how to include learning effects in prospective technology assessment. Based on the results of this review, five recommendations have been formulated and an integration of learning effects in the structure of prospective technology assessment has been proposed. These five recommendations include the combined use of learning effects on the component level and on the end product level; the combined use of learning effects on the technical, economic and environmental level; the combined use of extrapolated values and expert estimates; the combined use of learning-by-doing and learning-by-searching effects and; a tier-based method, including quality criteria, to calculate the learning effect. These five complementary strategies could lead to a clearer perspective on the environmental impact and cost structure of the new technology and a fairer comparison base with conventional technologies, potentially resulting in a faster adoption and a shorter time-to-market for sustainable technologies. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000548790900008 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-06-10 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1364-0321 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
15.9 |
Times cited |
|
Open Access |
|
|
|
Notes |
The authors acknowledge the full financial support received from the Flemish administration via the Steunpunt Circulaire Economie (Policy Research Centre Circular Economy). We would also like to thank the SDEWES conference for the best paper award which was granted to the current paper. The authors declare no competing financial interests. This publication contains the opinions of the authors, not that of the Flemish administration. The Flemish administration will not carry any liability with respect to the use that can be made of the produced data or conclusions. |
Approved |
Most recent IF: 15.9; 2020 IF: 8.05 |
|
|
Call Number |
ENM @ enm @c:irua:170076 |
Serial |
6389 |
|
Permanent link to this record |
|
|
|
|
Author |
Mendonça, C.D.; Rahemi, V.; Hereijgers, J.; Breugelmans, T.; Machado, S.A.S.; De Wael, K. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Integration of a photoelectrochemical cell in a flow system for quantification of 4-aminophenol with titanium dioxide |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Electrochemistry Communications |
Abbreviated Journal |
Electrochem Commun |
|
|
Volume |
117 |
Issue |
|
Pages |
106767-5 |
|
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Applied Electrochemistry & Catalysis (ELCAT) |
|
|
Abstract |
The photoelectrochemical quantification of phenolic compounds such as hydroquinone (HQ) and 4-aminophenol (4-AP) is accomplished by integrating a photoelectrochemical cell into a flow injection analysis (FIA) setup. It is a well-known fact that during the electroanalysis of phenolic compounds, the electrode surface is susceptible to poisoning. However, electrode fouling can be reduced significantly by using the FIA system with periodic washing of the electrode. Reactive oxygen species (ROS), which are generated on the surface of TiO2 under UV light, can oxidize phenolic compounds such as 4-AP. The oxidized form of 4-AP is reduced back at the electrode surface, generating a measurable signal proportional to its concentration. The factors influencing the perfor-mance of the sensor, such as flow rate, applied potential for back reduction and pH, are investigated in detail. In the concentration range 0.0125-1.0 mu M, a linear correlation between the photocurrent and the concentration of 4-AP was observed with a sensitivity of 0.6 A M-1 cm(-2) and a limit of detection of 18 nM. A straightforward analytical methodology for the on-site, highly sensitive and low-cost quantification of phenolic compounds is presented, based on the use of TiO2 in a photoelectrochemical flow cell. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000552618700004 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-06-13 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1388-2481; 1873-1902 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
5.4 |
Times cited |
1 |
Open Access |
|
|
|
Notes |
; The authors thank FAPESP funding for the fellowship to Camila D. Mendonca (Grant #2018/13724-0) and FWO funding (grant 12T4219N and 28761) for the postdoctoral fellowship to Dr. Vanoushe Rahemi and Dr. Jonas Hereijgers. ; |
Approved |
Most recent IF: 5.4; 2020 IF: 4.396 |
|
|
Call Number |
UA @ admin @ c:irua:169924 |
Serial |
6547 |
|
Permanent link to this record |
|
|
|
|
Author |
Obeid, M.M.; Stampfl, C.; Bafekry, A.; Guan, Z.; Jappor, H.R.; Nguyen, C., V; Naseri, M.; Hoat, D.M.; Hieu, N.N.; Krauklis, A.E.; Tuan V Vu; Gogova, D. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
First-principles investigation of nonmetal doped single-layer BiOBr as a potential photocatalyst with a low recombination rate |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
|
|
Volume |
22 |
Issue |
27 |
Pages |
15354-15364 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
Nonmetal doping is an effective approach to modify the electronic band structure and enhance the photocatalytic performance of bismuth oxyhalides. Using density functional theory, we systematically examine the fundamental properties of single-layer BiOBr doped with boron (B) and phosphorus (P) atoms. The stability of the doped models is investigated based on the formation energies, where the substitutional doping is found to be energetically more stable under O-rich conditions than under Bi-rich ones. The results showed that substitutional doping of P atoms reduced the bandgap of pristine BiOBr to a greater extent than that of boron substitution. The calculation of the effective masses reveals that B doping can render the electrons and holes of pristine BiOBr lighter and heavier, respectively, resulting in a slower recombination rate of photoexcited electron-hole pairs. Based on the results of HOMO-LUMO calculations, the introduction of B atoms tends to increase the number of photocatalytically active sites. The top of the valence band and the conduction band bottom of the B doped BiOBr monolayer match well with the water redox potentials in an acidic environment. The absorption spectra propose that B(P) doping causes a red-shift. Overall, the results predict that nonmetal-doped BiOBr monolayers have a reduced bandgap, a slow recombination rate, more catalytically active sites, enhanced optical absorption edges, and reduced work functions, which will contribute to superior photocatalytic performance. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000549894000018 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-06-16 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.3 |
Times cited |
18 |
Open Access |
|
|
|
Notes |
; This work was partially supported by the financial support from the Natural Science Foundation of China (Grant No. 11904203) and the Fundamental Research Funds of Shandong University (Grant No. 2019GN065). ; |
Approved |
Most recent IF: 3.3; 2020 IF: 4.123 |
|
|
Call Number |
UA @ admin @ c:irua:171235 |
Serial |
6522 |
|
Permanent link to this record |
|
|
|
|
Author |
Wuyts, W.; Marin, J.; Brusselaers, J.; Vrancken, K. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Circular economy as a COVID-19 cure? |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Resources Conservation And Recycling |
Abbreviated Journal |
Resour Conserv Recy |
|
|
Volume |
162 |
Issue |
|
Pages |
105016-2 |
|
|
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000569614800012 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-06-17 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0921-3449 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
13.2 |
Times cited |
3 |
Open Access |
|
|
|
Notes |
; Part of this work was financially supported by the Research Foundation – Flanders (FWO), Belgium and the Ministry of Education, Culture, Sports, Science, and Technology (MEXT), Japan. We want to thank Lynne Stearman Falick and the editor for proofreading and providing comments on previous drafts. ; |
Approved |
Most recent IF: 13.2; 2020 IF: 3.313 |
|
|
Call Number |
UA @ admin @ c:irua:171912 |
Serial |
6469 |
|
Permanent link to this record |
|
|
|
|
Author |
Menezes, R.M.; de Souza Silva, C.C.; Milošević, M.V. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Spin textures in chiral magnetic monolayers with suppressed nearest-neighbor exchange |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
101 |
Issue |
21 |
Pages |
214429-9 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
High tunability of two-dimensional magnetic materials (by strain, gating, heterostructuring, or otherwise) provides unique conditions for studying versatile magnetic properties and controlling emergent magnetic phases. Expanding the scope of achievable magnetic phenomena in such materials is important for both fundamental and technological advances. Here we perform atomistic spin-dynamics simulations to explore the (chiral) magnetic phases of atomic monolayers in the limit of suppressed first-neighbors exchange interaction. We report the rich phase diagram of exotic magnetic configurations, obtained for both square and honeycomb lattice symmetries, comprising coexistence of ferromagnetic and antiferromagnetic spin cycloids, as well as multiple types of magnetic skyrmions. We perform a minimum-energy path analysis for the skyrmion collapse to evaluate the stability of such topological objects and reveal that magnetic monolayers could be good candidates to host the antiferromagnetic skyrmions that are experimentally evasive to date. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000540910100002 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-06-18 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.7 |
Times cited |
1 |
Open Access |
|
|
|
Notes |
; This work was supported by the Research Foundation-Flanders (FWO-Vlaanderen) and Brazilian Agencies FACEPE (under Grant No. APQ-0198-1.05/14), CAPES, and CNPq. ; |
Approved |
Most recent IF: 3.7; 2020 IF: 3.836 |
|
|
Call Number |
UA @ admin @ c:irua:170176 |
Serial |
6610 |
|
Permanent link to this record |
|
|
|
|
Author |
Mehta, P.; Barboun, P.M.; Engelmann, Y.; Go, D.B.; Bogaerts, A.; Schneider, W.F.; Hicks, J.C. |
![goto web page url](http://nano.uantwerpen.be/nanorefs/img/www.gif)
![find record details (via OpenURL) openurl](img/xref.gif)
|
|
Title |
Plasma-Catalytic Ammonia Synthesis beyond the Equilibrium Limit |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Acs Catalysis |
Abbreviated Journal |
Acs Catal |
|
|
Volume |
10 |
Issue |
12 |
Pages |
6726-6734 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
We explore the consequences of nonthermal plasma-activation on product yields in catalytic ammonia synthesis, a reaction that is equilibrium-limited at elevated temperatures. We employ a minimal microkinetic model that incorporates the influence of plasma-activation on N2 dissociation rates to predict NH3 yields into and across the equilibrium-limited regime. NH3 yields are predicted to exceed bulk thermodynamic equilibrium limits on materials that are thermal-rate-limited by N2 dissociation. In all cases, yields revert to bulk equilibrium at temperatures at which thermal reaction rates exceed plasma-activated ones. Beyond-equilibrium NH3 yields are observed in a packed bed dielectric barrier discharge reactor and exhibit sensitivity to catalytic material choice in a way consistent with model predictions. The approach and results highlight the opportunity to exploit synergies between nonthermal plasmas and catalysts to affect transformations at conditions inaccessible through thermal routes. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000543663800015 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-06-19 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2155-5435 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
12.9 |
Times cited |
|
Open Access |
|
|
|
Notes |
University of Notre Dame; Basic Energy Sciences, DE-SC-0016543 ; Air Force Office of Scientific Research, FA9550-18-1- 0157 ; This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Sustainable Ammonia Synthesis Program, under Award DE-SC-0016543 and by the U.S. Air Force Office of Scientific Research, under Award FA9550-18-1-0157. P.M. acknowledges support through the Eilers Graduate Fellowship for Energy Related Research from the University of Notre Dame. Computational resources were provided by the Notre Dame Center for Research Computing. We thank the Notre Dame Energy Materials Characterization Facility and the Notre Dame Integrated Imaging Facility for the use of the X-ray diffractometer and the transmission electron microscope, respectively. |
Approved |
Most recent IF: 12.9; 2020 IF: 10.614 |
|
|
Call Number |
PLASMANT @ plasmant @c:irua:170713 |
Serial |
6405 |
|
Permanent link to this record |
|
|
|
|
Author |
Torsello, D.; Ummarino, G.A.; Bekaert, J.; Gozzelino, L.; Gerbaldo, R.; Tanatar, M.A.; Canfield, P.C.; Prozorov, R.; Ghigo, G. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Tuning the intrinsic anisotropy with disorder in the CaKFE₄As₄ superconductor |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Physical Review Applied |
Abbreviated Journal |
Phys Rev Appl |
|
|
Volume |
13 |
Issue |
6 |
Pages |
064046-64049 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
We report on the anisotropy of the London penetration depth of CaKFe4As4, discussing how it relates to its electronic structure and how it modifies under introduction of disorder, both chemically induced (by Ni substitution) and irradiation induced (by 3.5-MeV protons). Indeed, CaKFe4As4 is particularly suitable for the study of fundamental superconducting properties due to its stoichiometric composition, exhibiting clean-limit behavior in the pristine samples and having a fairly high critical temperature, T-c approximate to 35 K. The London penetration depth lambda(L) is measured with a microwave-coplanar-resonator technique that allows us to deconvolve the anisotropic contributions lambda(L,ab) and lambda(L,c) and obtain the anisotropy parameter gamma(lambda) = lambda(L,c)/lambda(L,ab). The gamma(lambda) (T) found for the undoped pristine sample is in good agreement with previous literature and is here compared to ab initio density-functional-theory and Eliashberg calculations. The dependence of gamma(lambda) (T) on both chemical and irradiation-induced disorder is discussed to highlight which method is more suitable to decrease the direction dependence of the electromagnetic properties while maintaining a high critical temperature. Lastly, the relevance of an intrinsic anisotropy such as gamma(lambda) on application-related anisotropic parameters (critical current, pinning) is discussed in light of the recent employment of CaKFe4As4 in the production of wires. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000540915800003 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-06-19 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2331-7019 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
4.6 |
Times cited |
4 |
Open Access |
|
|
|
Notes |
; This work was partially supported by the Italian Ministry of Education, University and Research (Project PRIN “HIBiSCUS,” Grant No. 201785KWLE). J.B. acknowledges the support of a postdoctoral fellowship of the Research Foundation-Flanders (FWO). The computational resources and services used for the first-principles calculations in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government-department EWI. Work done at Ames Laboratory was supported by the U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering. Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. G.A.U. acknowledges support from the MEPhI Academic Excellence Project (Contract No. 702.a03.21.0005). ; |
Approved |
Most recent IF: 4.6; 2020 IF: 4.808 |
|
|
Call Number |
UA @ admin @ c:irua:170178 |
Serial |
6641 |
|
Permanent link to this record |
|
|
|
|
Author |
Parchomenko, A.; Nelen, D.; Gillabel, J.; Vrancken, K.C.M.; Rechberger, H. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Evaluation of the resource effectiveness of circular economy strategies through multilevel statistical entropy analysis |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Resources Conservation And Recycling |
Abbreviated Journal |
Resour Conserv Recy |
|
|
Volume |
161 |
Issue |
|
Pages |
104925-16 |
|
|
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
|
|
Abstract |
In a circular economy (CE), materials, components and products should be kept at the highest level of functionality, while phenomena like dilution, mixing and contamination, often referred to as the loss of resources, should be avoided. One method that can assess the performance of systems to concentrate or avoid dilution of resources is Statistical Entropy Analysis (SEA). Up till now, the method has been applied on the substance level (elements and compounds) only, but showed its applicability to various scales and a variety of systems. Further development of the method allowed to consider information on the product, component and material levels, which makes the method applicable to different combinations of CE strategies, both destructive (e.g. recycling) and non-destructive (e.g. reuse). The method is demonstrated on a simplified vehicle life-cycle, which is modeled through four component groups and six materials. It shows that the method allows to evaluate different CE strategies and identify critical stages which lead to the most severe resource and functionality losses. Based on the methods results, it is possible to determine a perfect circularity reference level, representing a system state that preserves functionality and avoids resource losses. The introduction of a circularity reference level enables the establishment of a framework for resource effectiveness in which diluting and concentrating effects of activities (e.g. sorting) are quantified. The distance of a system to an ideal circular state determines the deviation from a resource-effective system that maintains the original product functionality over a maximum period of time, with minimal efforts. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000569610400032 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-06-20 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0921-3449 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
13.2 |
Times cited |
|
Open Access |
|
|
|
Notes |
; The authors would like to acknowledge the support of Prof. David Laner for his valuable inputs, as well as the financial support of Vito (Flemish Institute for Technological Research) and Altstoff Recycling Austria AG (ARA). ; |
Approved |
Most recent IF: 13.2; 2020 IF: 3.313 |
|
|
Call Number |
UA @ admin @ c:irua:171925 |
Serial |
6512 |
|
Permanent link to this record |
|
|
|
|
Author |
Hillen, M.; Legrand, S.; Dirkx, Y.; Janssens, K.; van der Snickt, G.; Caen, J.; Steenackers, G. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Cluster analysis of IR thermography data for differentiating glass types in historical leaded-glass windows |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Applied Sciences-Basel |
Abbreviated Journal |
Appl Sci-Basel |
|
|
Volume |
10 |
Issue |
12 |
Pages |
4255-13 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Antwerp Cultural Heritage Sciences (ARCHES); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
|
Abstract |
Infrared thermography is a fast, non-destructive and contactless testing technique which is increasingly used in heritage science. The aim of this study was to assess the ability of infrared thermography, in combination with a data clustering approach, to differentiate between the different types of historical glass that were included in a colorless leaded-glass windows during previous restoration interventions. Inspection of the thermograms and the application of two data mining techniques on the thermal data, i.e., k-means clustering and hierarchical clustering, allowed identifying different groups of window panes that show a different thermal behavior. Both clustering approaches arrive at similar groupings of the glass with a clear separation of three types. However, the lead cames that hold the glass panes appear to have a substantial impact on the thermal behavior of the surrounding glass, thus preventing classification of the smallest glass panes. For the larger panes, this was not a critical issue as the center of the glass remained unaffected. Subtle visual color differences between panes, implying a variation in coloring metal ions, was not always distinguished by IRT. Nevertheless, data clustering assisted infrared thermography shows potential as an efficient and swift method for documenting the material intervention history of leaded-glass windows during or in preparation of conservation treatments. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000549351800001 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-06-22 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2076-3417 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.7 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.7; 2020 IF: 1.679 |
|
|
Call Number |
UA @ admin @ c:irua:170012 |
Serial |
7674 |
|
Permanent link to this record |
|
|
|
|
Author |
Zhang, Q.-Z.; Wang, W.Z.; Thille, C.; Bogaerts, A. |
![goto web page url](http://nano.uantwerpen.be/nanorefs/img/www.gif)
![find record details (via OpenURL) openurl](img/xref.gif)
|
|
Title |
H2S Decomposition into H2 and S2 by Plasma Technology: Comparison of Gliding Arc and Microwave Plasma |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Plasma Chemistry And Plasma Processing |
Abbreviated Journal |
Plasma Chem Plasma P |
|
|
Volume |
40 |
Issue |
5 |
Pages |
1163-1187 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
We studied hydrogen sulfide (H2S) decomposition into hydrogen (H2) and sulfur (S2) in a gliding arc plasmatron (GAP) and microwave (MW) plasma by a combination of 0D and 2D models. The conversion, energy efficiency, and plasma distribution are examined for different discharge conditions, and validated with available experiments from literature. Furthermore, a comparison is made between GAP and MW plasma. The GAP operates at atmospheric pressure, while the MW plasma experiments to which comparison is made were performed at reduced pressure. Indeed, the MW discharge region becomes very much contracted near atmospheric pressure, at the conditions under study, as revealed by our 2D model. The models predict that thermal reactions play the most important role in H2S decomposition in both plasma types. The GAP has a higher energy efficiency but lower conversion than the MW plasma at their typical conditions. When compared at the same conversion, the GAP exhibits a higher energy efficiency and lower energy cost than the MW plasma. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000543012200001 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-06-24 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0272-4324 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.6 |
Times cited |
|
Open Access |
|
|
|
Notes |
This work was supported by the Scientific Research Foundation from Dalian University of Technology, DUT19RC(3)045. We gratefully acknowledge T. Godfroid (Materia Nova) for sharing the experimental data about the MW plasma. The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. |
Approved |
Most recent IF: 3.6; 2020 IF: 2.355 |
|
|
Call Number |
PLASMANT @ plasmant @c:irua:172490 |
Serial |
6409 |
|
Permanent link to this record |
|
|
|
|
Author |
Seuntjens, D.; Carvajal Arroyo, J.M.; Van Tendeloo, M.; Chatzigiannidou, I.; Molina, J.; Nop, S.; Boon, N.; Vlaeminck, S.E. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
Mainstream partial nitritation/anammox with integrated fixed-film activated sludge : combined aeration and floc retention time control strategies limit nitrate production |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Bioresource Technology |
Abbreviated Journal |
Bioresource Technol |
|
|
Volume |
314 |
Issue |
|
Pages |
123711-10 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
|
|
Abstract |
Implementation of mainstream partial nitritation/anammox (PN/A) can lead to more sustainable and cost-effective sewage treatment. For mainstream PN/A reactor, an integrated fixed-film activated sludge (IFAS) was operated (26 °C). The effects of floccular aerobic sludge retention time (AerSRT_floc), a novel aeration strategy, and N-loading rate were tested to optimize the operational strategy. The best performance was observed with a low, but sufficient AerSRTfloc (~7d) and continuous aeration with two alternating dissolved oxygen setpoints: 10 min at 0.07–0.13 mg O2 L−1 and 5 min at 0.27–0.43 mg O2 L−1. Nitrogen removal rates were 122 ± 23 mg N L−1 d−1, and removal efficiencies 73 ± 13%. These conditions enabled flocs to act as nitrite sources while the carriers were nitrite sinks, with low abundance of nitrite oxidizing bacteria. The operational strategies in the source-sink framework can serve as a guideline for successful operation of mainstream PN/A reactors. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000558601200004 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-06-24 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0960-8524 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
11.4 |
Times cited |
3 |
Open Access |
|
|
|
Notes |
; D.S. was supported by a Ph.D. grant from the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWTVlaanderen, SB-131769). M.V.T. was supported by a Ph.D. SB Fellowship from the Research Foundation -Flanders (FWO-Vlaanderen, 1S03218N). ; |
Approved |
Most recent IF: 11.4; 2020 IF: 5.651 |
|
|
Call Number |
UA @ admin @ c:irua:170054 |
Serial |
6559 |
|
Permanent link to this record |
|
|
|
|
Author |
Groenendijk, D.J.; Autieri, C.; van Thiel, T.C.; Brzezicki, W.; Hortensius, J.R.; Afanasiev, D.; Gauquelin, N.; Barone, P.; van den Bos, K.H.W.; van Aert, S.; Verbeeck, J.; Filippetti, A.; Picozzi, S.; Cuoco, M.; Caviglia, A.D. |
![goto web page url](http://nano.uantwerpen.be/nanorefs/img/www.gif)
![find record details (via OpenURL) openurl](img/xref.gif)
|
|
Title |
Berry phase engineering at oxide interfaces |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
|
Abbreviated Journal |
Phys. Rev. Research |
|
|
Volume |
2 |
Issue |
2 |
Pages |
023404 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Three-dimensional strontium ruthenate (SrRuO3) is an itinerant ferromagnet that features Weyl points acting as sources of emergent magnetic fields, anomalous Hall conductivity, and unconventional spin dynamics. Integrating SrRuO3 in oxide heterostructures is potentially a novel route to engineer emergent electrodynamics, but its electronic band topology in the two-dimensional limit remains unknown. Here we show that ultrathin SrRuO3 exhibits spin-polarized topologically nontrivial bands at the Fermi energy. Their band anticrossings show an enhanced Berry curvature and act as competing sources of emergent magnetic fields. We control their balance by designing heterostructures with symmetric (SrTiO3/SrRuO3/SrTiO3 and SrIrO3/SrRuO3/SrIrO3) and asymmetric interfaces (SrTiO3/SrRuO3/SrIrO3). Symmetric structures exhibit an interface-tunable single-channel anomalous Hall effect, while ultrathin SrRuO3 embedded in asymmetric structures shows humplike features consistent with multiple Hall contributions. The band topology of two-dimensional SrRuO3 proposed here naturally accounts for these observations and harmonizes a large body of experimental results. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000603642700008 |
Publication Date ![sorted by Publication Date field, ascending order (up)](img/sort_asc.gif) |
2020-06-25 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2643-1564 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
58 |
Open Access |
OpenAccess |
|
|
Notes |
Nederlandse Organisatie voor Wetenschappelijk Onderzoek; Fonds Wetenschappelijk Onderzoek; European Research Council; Horizon 2020, 677458 770887 731473 ; Fondazione Cariplo, 2013-0726 ; Narodowe Centrum Nauki, 2016/23/B/ST3/00839 ; Fundacja na rzecz Nauki Polskiej; Universiteit Antwerpen; Vlaamse regering; |
Approved |
Most recent IF: NA |
|
|
Call Number |
EMAT @ emat @c:irua:172462 |
Serial |
6401 |
|
Permanent link to this record |