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Author |
Marinov, D.; de Marneffe, J.-F.; Smets, Q.; Arutchelvan, G.; Bal, K.M.; Voronina, E.; Rakhimova, T.; Mankelevich, Y.; El Kazzi, S.; Nalin Mehta, A.; Wyndaele, P.-J.; Heyne, M.H.; Zhang, J.; With, P.C.; Banerjee, S.; Neyts, E.C.; Asselberghs, I.; Lin, D.; De Gendt, S. |
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Title |
Reactive plasma cleaning and restoration of transition metal dichalcogenide monolayers |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
npj 2D Materials and Applications |
Abbreviated Journal |
npj 2D Mater Appl |
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Volume  |
5 |
Issue |
1 |
Pages |
17 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The cleaning of two-dimensional (2D) materials is an essential step in the fabrication of future devices, leveraging their unique physical, optical, and chemical properties. Part of these emerging 2D materials are transition metal dichalcogenides (TMDs). So far there is limited understanding of the cleaning of “monolayer” TMD materials. In this study, we report on the use of downstream H<sub>2</sub>plasma to clean the surface of monolayer WS<sub>2</sub>grown by MOCVD. We demonstrate that high-temperature processing is essential, allowing to maximize the removal rate of polymers and to mitigate damage caused to the WS<sub>2</sub>in the form of sulfur vacancies. We show that low temperature in situ carbonyl sulfide (OCS) soak is an efficient way to resulfurize the material, besides high-temperature H<sub>2</sub>S annealing. The cleaning processes and mechanisms elucidated in this work are tested on back-gated field-effect transistors, confirming that transport properties of WS<sub>2</sub>devices can be maintained by the combination of H<sub>2</sub>plasma cleaning and OCS restoration. The low-damage plasma cleaning based on H<sub>2</sub>and OCS is very reproducible, fast (completed in a few minutes) and uses a 300 mm industrial plasma etch system qualified for standard semiconductor pilot production. This process is, therefore, expected to enable the industrial scale-up of 2D-based devices, co-integrated with silicon technology. |
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Wos |
000613258900001 |
Publication Date |
2021-01-28 |
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Edition |
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ISSN |
2397-7132 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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OpenAccess |
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Notes |
Daniil Marinov has received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No 752164. Ekaterina Voronina, Yuri Mankelevitch, and Tatyana Rakhimova are thankful to the Russian Science Foundation (RSF) for financial support (Grant No. 16-12-10361). This study was carried out using the equipment of the shared research facilities of high-performance computing resources at Lomonosov Moscow State University and the computational resources and services of the HPC core facility CalcUA of the University of Antwerp, and VSC (Flemish Supercomputer Center), funded by the Research Foundation-Flanders (FWO) and the Flemish Government. Patrick With gratefully acknowledges imec’s CTO office for financial support during his stay at imec. The authors thank Mr. Surajit Sutar (imec) for his help during sample electrical characterization, and Patrick Verdonck for lab processing. Jean-François de Marneffe thank Prof. Simone Napolitano from the Free University of Brussels for useful discussions on irreversibly adsorbed polymer layers, and Cédric Huyghebaert (imec) for his continuous support in the framework of the Graphene FET Flagship core project. All authors acknowledge the support of imec’s pilot line and materials characterization and analysis (MCA) group, namely Jonathan Ludwig, Stefanie Sergeant, Thomas Nuytten, Olivier Richard, and Thierry Conard. Finally, Daniil Marinov thank Mikhail Krishtab (imec/KU Leuven) for his help in selecting the optimal plasma etch system for this work. Part of this project has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No 649953. |
Approved |
Most recent IF: NA |
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Call Number |
PLASMANT @ plasmant @c:irua:175871 |
Serial |
6671 |
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Author |
Van Alphen, S.; Jardali, F.; Creel, J.; Trenchev, G.; Snyders, R.; Bogaerts, A. |
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Title |
Sustainable gas conversion by gliding arc plasmas: a new modelling approach for reactor design improvement |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Sustainable energy & fuels |
Abbreviated Journal |
Sustainable Energy Fuels |
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Volume |
5 |
Issue |
6 |
Pages |
1786-1800 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Research in plasma reactor designs is developing rapidly as plasma technology is gaining increasing interest for sustainable gas conversion applications, like the conversion of greenhouse gases into value-added chemicals and renewable fuels, and fixation of N<sub>2</sub>from air into precursors of mineral fertilizer. As plasma is generated by electric power and can easily be switched on/off, these applications allows for efficient conversion and energy storage of intermittent renewable electricity. In this paper, we present a new comprehensive modelling approach for the design and development of gliding arc plasma reactors, which reveals the fluid dynamics, the arc behaviour and the plasma chemistry by solving a unique combination of five complementary models. This results in a complete description of the plasma process, which allows one to efficiently evaluate the performance of a reactor and indicate possible design improvements before actually building it. We demonstrate the capabilities of this method for an experimentally validated study of plasma-based NO<sub>x</sub>formation in a rotating gliding arc reactor, which is gaining increasing interest as a flexible, electricity-driven alternative for the Haber–Bosch process. The model demonstrates the importance of the vortex flow and the presence of a recirculation zone in the reactor, as well as the formation of hot spots in the plasma near the cathode pin and the anode wall that are responsible for most of the NO<sub>x</sub>formation. The model also reveals the underlying plasma chemistry and the vibrational non-equilibrium that exists due to the fast cooling during each arc rotation. Good agreement with experimental measurements on the studied reactor design proves the predictive capabilities of our modelling approach. |
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Wos |
000631643300013 |
Publication Date |
2021-02-22 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2398-4902 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
Fonds Wetenschappelijk Onderzoek, GoF9618n ; Vlaamse regering, HBC.2019.0107 ; European Research Council, 810182 ; This research was supported by the Excellence of Science FWOFNRS project (FWO grant ID GoF9618n, EOS ID 30505023), the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (grant agreement no. 810182 – SCOPE ERC Synergy project), the 1798 | Sustainable Energy Fuels, 2021, 5, 1786–1800 |
Approved |
Most recent IF: NA |
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Call Number |
PLASMANT @ plasmant @c:irua:177540 |
Serial |
6745 |
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Author |
Kelly, S.; Bogaerts, A. |
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Title |
Nitrogen fixation in an electrode-free microwave plasma |
Type |
A1 Journal Article |
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Year |
2021 |
Publication |
Joule |
Abbreviated Journal |
Joule |
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Volume |
5 |
Issue |
11 |
Pages |
3006-3030 |
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Keywords |
A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
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Abstract |
Plasma-based gas conversion has great potential for enabling carbon-free fertilizer production powered by renewable electricity. Sustaining an energy-efficient plasma process without eroding the containment vessel is currently a significant challenge, limiting scaling to higher powers and throughputs. Isolation of the plasma from contact with any solid surfaces is an advantage, which both limits energy loss to the walls and prevents material erosion that could lead to disastrous soil contamination. This paper presents highly energy-efficient nitrogen fixation from air into NOx by microwave plasma, with the plasma filament isolated at the center of a quartz tube using a vortex gas flow. NOx production is found to scale very efficiently when increasing both gas flow rate and absorbed power. The lowest energy cost recorded of ~2 MJ/mol, for a total NOx production of ~3.8%, is the lowest reported up to now for atmospheric pressure plasmas. |
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Wos |
000723010700018 |
Publication Date |
2021-10-26 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2542-4351 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
We acknowledge financial support by the European Marie Skłodowska-Curie Individual Fellowship ‘‘PENFIX’’ within Horizon 2020 (grant no. 838181), the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement no 810182 – SCOPE ERC Synergy project), and the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023). 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 Centre VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. We thank Dr. Waldo Bongers and Dr. Floran Peeters of the DIFFER institute for their help and advice in the initial phase of the project, as well as Mr. Luc van‘t Dack, Dr. Karen Leyssens and Ing. Karel Venken for their technical assistance. We thank Dr. Klaus Werner, executive director of the RF Energy Alliance, for his extensive expertise and helpful discourse regarding solid-state MW technology. |
Approved |
Most recent IF: NA |
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Call Number |
PLASMANT @ plasmant @c:irua:184250 |
Serial |
6835 |
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Author |
Psilodimitrakopoulos, S.; Orekhov, A.; Mouchliadis, L.; Jannis, D.; Maragkakis, G.M.; Kourmoulakis, G.; Gauquelin, N.; Kioseoglou, G.; Verbeeck, J.; Stratakis, E. |
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Title |
Optical versus electron diffraction imaging of Twist-angle in 2D transition metal dichalcogenide bilayers |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
npj 2D Materials and Applications |
Abbreviated Journal |
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Volume |
5 |
Issue |
1 |
Pages |
77 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Atomically thin two-dimensional (2D) materials can be vertically stacked with van der Waals bonds, which enable interlayer coupling. In the particular case of transition metal dichalcogenide (TMD) bilayers, the relative direction between the two monolayers, coined as twist-angle, modifies the crystal symmetry and creates a superlattice with exciting properties. Here, we demonstrate an all-optical method for pixel-by-pixel mapping of the twist-angle with a resolution of 0.55(degrees), via polarization-resolved second harmonic generation (P-SHG) microscopy and we compare it with four-dimensional scanning transmission electron microscopy (4D STEM). It is found that the twist-angle imaging of WS2 bilayers, using the P-SHG technique is in excellent agreement with that obtained using electron diffraction. The main advantages of the optical approach are that the characterization is performed on the same substrate that the device is created on and that it is three orders of magnitude faster than the 4D STEM. We envisage that the optical P-SHG imaging could become the gold standard for the quality examination of TMD superlattice-based devices. |
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Wos |
000694849200001 |
Publication Date |
2021-09-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2397-7132 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
4 |
Open Access |
OpenAccess |
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Notes |
This research has been co-financed by the European Union and Greek national funds through the Operational Program Competitiveness, Entrepreneurship and Innovation, under the call European R & T Cooperation-Grant Act of Hellenic Institutions that have successfully participated in Joint Calls for Proposals of European Networks ERA NETS (National project code: GRAPH-EYE T8 Epsilon Rho Alpha 2-00009 and European code: 26632, FLAGERA). L.M., G.Ko. and G.Ki. acknowledge funding by the Hellenic Foundation for Research and Innovation (H.F.R.I.) under the “First Call for H.F.R.I. Research Projects to support Faculty members and Researchers and the procurement of high-cost research equipment grant” (Project No: HFRI-FM17-3034). GKi, S.P. and G.M.M. acknowledge funding from a research co-financed by Greece and the European Union (European Social Fund-ESF) through the Operational Programme “Human Resources Development, Education and Lifelong Learning 2014-2020” in the context of the project “Crystal quality control of two-dimensional materials and their heterostructures via imaging of their non-linear optical properties” (MIS 5050340)“. J.V acknowledges funding from FWO G093417N ('Compressed sensing enabling low dose imaging in transmission electron microscopy') from the Flanders Research Fund, EU. J.V. and N.G. acknowledge funding from the European Union under the Horizon 2020 programme within a contract for Integrating Activities for Advanced Communities No 823717-ESTEEM3. J.V. N.G. and A.O. acknowledge funding through a GOA project ”Solarpaint" of the University of Antwerp. |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:181610 |
Serial |
6877 |
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Author |
Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. |
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Title |
Magnetic order and critical temperature of substitutionally doped transition metal dichalcogenide monolayers |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
npj 2D Materials and Applications |
Abbreviated Journal |
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Volume |
5 |
Issue |
1 |
Pages |
54 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Using first-principles calculations, we investigate the magnetic order in two-dimensional (2D) transition-metal-dichalcogenide (TMD) monolayers: MoS2, MoSe2, MoTe2, WSe2, and WS2 substitutionally doped with period four transition-metals (Ti, V, Cr, Mn, Fe, Co, Ni). We uncover five distinct magnetically ordered states among the 35 distinct TMD-dopant pairs: the non-magnetic (NM), the ferromagnetic with out-of-plane spin polarization (Z FM), the out-of-plane polarized clustered FMs (clustered Z FM), the in-plane polarized FMs (X-Y FM), and the anti-ferromagnetic (AFM) state. Ni and Ti dopants result in an NM state for all considered TMDs, while Cr dopants result in an anti-ferromagnetically ordered state for all the TMDs. Most remarkably, we find that Fe, Mn, Co, and V result in an FM ordered state for all the TMDs, except for MoTe2. Finally, we show that V-doped MoSe2 and WSe2, and Mn-doped MoS2, are the most suitable candidates for realizing a room-temperature FM at a 16-18% atomic substitution. |
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Wos |
000650635200004 |
Publication Date |
2021-05-14 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2397-7132 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:179063 |
Serial |
7001 |
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Author |
McLachlan, G.; Majdak, P.; Reijniers, J.; Peremans, H. |
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Title |
Towards modelling active sound localisation based on Bayesian inference in a static environment |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Acta Acustica |
Abbreviated Journal |
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Volume |
5 |
Issue |
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Pages |
45 |
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Keywords |
A1 Journal article; Engineering Management (ENM); Condensed Matter Theory (CMT) |
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Abstract |
Over the decades, Bayesian statistical inference has become a staple technique for modelling human multisensory perception. Many studies have successfully shown how sensory and prior information can be combined to optimally interpret our environment. Because of the multiple sound localisation cues available in the binaural signal, sound localisation models based on Bayesian inference are a promising way of explaining behavioural human data. An interesting aspect is the consideration of dynamic localisation cues obtained through self-motion. Here we provide a review of the recent developments in modelling dynamic sound localisation with a particular focus on Bayesian inference. Further, we describe a theoretical Bayesian framework capable to model dynamic and active listening situations in humans in a static auditory environment. In order to demonstrate its potential in future implementations, we provide results from two examples of simplified versions of that framework. |
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Wos |
000709050000001 |
Publication Date |
2021-10-21 |
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Edition |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:182453 |
Serial |
7035 |
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Author |
Shi, W.; Pandey, T.; Lindsay, L.; Woods, L.M. |
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Title |
Vibrational properties and thermal transport in quaternary chalcogenides : the case of Te-based compositions |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Physical review materials |
Abbreviated Journal |
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Volume |
5 |
Issue |
4 |
Pages |
045401 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Vibrational thermal properties of CuZn2InTe4, AgZn2InTe4, and Cu2CdSnTe4, derived from binary II-VI zinc-blendes, are reported based on first-principles calculations. While the chalcogenide atoms in these materials have the same lattice positions, the cation atom arrangements vary, resulting in different crystal symmetries and subsequent properties. The compositional differences have important effects on the vibrational thermal characteristics of the studied materials, which demonstrate that low-frequency optical phonons hybridize with acoustic phonons and lead to enhanced phonon-phonon scattering and low lattice thermal conductivities. The phonon density of states, mode Gruneisen parameters, and phonon scattering rates are also calculated, enabling deeper insight into the microscopic thermal conduction processes in these materials. Compositional variations drive differences among the three materials considered here; nonetheless, their structural similarities and generally low thermal conductivities (0.5-4 W/mK at room temperature) suggest that other similar II-VI zinc-blende derived materials will also exhibit similarly low values, as also corroborated by experimental data. This, combined with the versatility in designing a variety of motifs on the overall structure, makes quaternary chalcogenides interesting for thermal management and energy conversion applications that require low thermal conductivity. |
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Wos |
000655931400005 |
Publication Date |
2021-04-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2475-9953 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:179140 |
Serial |
7045 |
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Author |
Vishwakarma, M.; Batra, Y.; Hadermann, J.; Singh, A.; Ghosh, A.; Mehta, B.R. |
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Title |
Exploring the role of graphene oxide as a co-catalyst in the CZTS photocathodes for improved photoelectrochemical properties |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
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Volume |
5 |
Issue |
6 |
Pages |
7538-7549 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The hydrogen evolution properties of CZTS heterostructure photocathodes are reported with graphene oxide (GO) as a co-catalyst layer coated by a drop-cast method and an Al2O3 protection layer fabricated using atomic layer deposition. In the CZTS absorber, a minor deviation from stoichiometry across the cross section of the thin film results in nanoscale growth of spurious phases, but the kesterite phase remains the dominant phase. We have investigated the band alignment parameters such as the band gap, work function, and Fermi level position that are crucial for making kesterite-based heterostructure devices. The photocurrent density in the photocathode CZTS/CdS/ZnO is found to be improved to -4.71 mAmiddotcm(-2) at -0.40 V-RHE, which is 3 times that of the pure CZTS. This enhanced photoresponse can be attributed to faster carrier separation at p-n junction regions driven by upward band bending at CZTS grain boundaries and the ZnO layer. GO as a co-catalyst over the heterostructure photocathode significantly improves the photocurrent density to -6.14 mAmiddotcm(-2) at -0.40 V-RHE by effective charge migration in the CZTS/CdS/ZnO/GO configuration, but the onset potential shifts only after application of the Al2O3 protection layer. Significant photocurrents of -29 mAmiddotcm(-2) at -0.40 V-RHE and -8 mAmiddotcm(-2) at 0 V-RHE are observed, with an onset potential of 0.7 V-RHE in CZTS/CdS/ZnO/GO/Al2O3. The heterostructure configuration and the GO co-catalyst reduce the charge-transfer resistance, while the Al2O3 top layer provides a stable photocurrent for a prolonged time (similar to 16 h). The GO co-catalyst increases the flat band potential from 0.26 to 0.46 V-RHE in CZTS/CdS/ZnO/GO, which supports the bias-induced band bending at the electrolyte-electrode interface. |
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Wos |
000820418400001 |
Publication Date |
2022-05-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2574-0962 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.4 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 6.4 |
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Call Number |
UA @ admin @ c:irua:189666 |
Serial |
7082 |
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Author |
Pacquets, L.; Van den Hoek, J.; Arenas Esteban, D.; Ciocarlan, R.-G.; Cool, P.; Baert, K.; Hauffman, T.; Daems, N.; Bals, S.; Breugelmans, T. |
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Title |
Use of nanoscale carbon layers on Ag-based gas diffusion electrodes to promote CO production |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
ACS applied nano materials |
Abbreviated Journal |
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Volume |
5 |
Issue |
6 |
Pages |
7723-7732 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Applied Electrochemistry & Catalysis (ELCAT) |
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Abstract |
A promising strategy for the inhibition of the hydrogen evolution reaction along with the stabilization of the electrocatalyst in electrochemical CO2 reduction cells involves the application of a nanoscale amorphous carbon layer on top of the active catalyst layer in a gas diffusion electrode. Without modifying the chemical nature of the electrocatalyst itself, these amorphous carbon layers lead to the stabilization of the electrocatalyst, and a significant improvement with respect to the inhibition of the hydrogen evolution reaction was also obtained. The faradaic efficiencies of hydrogen could be reduced from 31.4 to 2.1% after 1 h of electrolysis with a 5 nm thick carbon layer. Furthermore, the impact of the carbon layer thickness (5–30 nm) on this inhibiting effect was investigated. We determined an optimal thickness of 15 nm where the hydrogen evolution reaction was inhibited and a decent stability was obtained. Next, a thickness of 15 nm was selected for durability measurements. Interestingly, these durability measurements revealed the beneficial impact of the carbon layer already after 6 h by suppressing the hydrogen evolution such that an increase of only 37.9% exists compared to 56.9% without the use of an additional carbon layer, which is an improvement of 150%. Since carbon is only applied afterward, it reveals its great potential in terms of electrocatalysis in general. |
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Thesis |
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Publisher |
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Place of Publication |
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Wos |
000818507900001 |
Publication Date |
2022-05-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
2574-0970 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.9 |
Times cited |
3 |
Open Access |
OpenAccess |
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Notes |
L.P. was supported through a Ph.D. fellowship strategic basic research (1S56920N) of the Research Foundation-Flanders (FWO). S.B. acknowledges financial support from ERC Consolidator Grant Number 815128 REALNANO. This research was financed by the Research Council of the University of Antwerp (BOF-GOA 33928). P.C. and R.-G.C. acknowledge financial support by FWO Flanders (project no. G038215N). The authors recognize the contribution of S. Pourbabak and T. Derez for the assistance with the Ag and carbon coating, Indah Prihatiningtyas and Bart Van der Bruggen for the assistance with the contact angle measurements, Daniel Choukroun for the use of the in-house-made hybrid flow cell, and Stijn Van den Broeck for his assistance with the FIB measurements. |
Approved |
Most recent IF: 5.9 |
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| |
Call Number |
UA @ admin @ c:irua:188887 |
Serial |
7099 |
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| Permanent link to this record |
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Author |
Parastaev, A.; Muravev, V.; Osta, E.H.; Kimpel, T.F.; Simons, J.F.M.; van Hoof, A.J.F.; Uslamin, E.; Zhang, L.; Struijs, J.J.C.; Burueva, D.B.; Pokochueva, E.V.; Kovtunov, K.V.; Koptyug, I.V.; Villar-Garcia, I.J.; Escudero, C.; Altantzis, T.; Liu, P.; Béché, A.; Bals, S.; Kosinov, N.; Hensen, E.J.M. |
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Title |
Breaking structure sensitivity in CO2 hydrogenation by tuning metal–oxide interfaces in supported cobalt nanoparticles |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Nature Catalysis |
Abbreviated Journal |
Nat Catal |
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| |
Volume |
5 |
Issue |
11 |
Pages |
1051-1060 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
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Abstract |
A high dispersion of the active metal phase of transition metals on oxide supports is important when designing efficient heterogeneous catalysts. Besides nanoparticles, clusters and even single metal atoms can be attractive for a wide range of reactions. However, many industrially relevant catalytic transformations suffer from structure sensitivity, where reducing the size of the metal particles below a certain size substantially lowers catalytic performance. A case in point is the low activity of small cobalt nanoparticles in the hydrogenation of CO and CO2. Here we show how engineering of catalytic sites at the metal–oxide interface in cerium oxide–zirconium dioxide (ceria–zirconia)-supported cobalt can overcome this structure sensitivity. Few-atom cobalt clusters dispersed on 3 nm cobalt(II)-oxide particles stabilized by ceria–zirconia yielded a highly active CO2 methanation catalyst with a specific activity higher than that of larger particles under the same conditions. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000884939300006 |
Publication Date |
2022-11-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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| |
ISSN |
2520-1158 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
37.8 |
Times cited |
32 |
Open Access |
OpenAccess |
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Notes |
This research was supported by the Applied and Engineering Sciences division of the Netherlands Organization for Scientific Research through the Alliander (now Qirion) Perspective program on Plasma Conversion of CO2. We acknowledge Diamond Light Source for time on beamline B18 under proposal SP20715-1. This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 823717 – ESTEEM3. S.B. acknowledges support from the European Research Council (ERC Consolidator Grant #815128 REALNANO) and T.A. acknowledges funding from the University of Antwerp Research fund (BOF). A.B. received funding from the European Union under grant agreement No 823717 – ESTEEM3. The authors acknowledge funding through the Hercules grant (FWO, University of Antwerp) I003218N “Infrastructure for imaging nanoscale processes in gas/vapour or liquid environments”. I.V.K., D.B.B., and E.V.P. acknowledge the Russian Ministry of Science and Higher Education (contract 075-15-2021-580) for financial support of parahydrogen-based studies. Experiments using synchrotron radiation XPS were performed at the CIRCE beamline at ALBA Synchrotron with the collaboration of ALBA staff. F. Oropeza Palacio and Rim C.J. van de Poll are acknowledged for the help with RPES measurements.; esteem3reported; esteem3jra |
Approved |
Most recent IF: 37.8 |
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| |
Call Number |
EMAT @ emat @c:irua:192068 |
Serial |
7230 |
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| Permanent link to this record |
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Author |
Shi, P.-J.; Xu, Q.; Sandhu, H.S.; Gielis, J.; Ding, Y.-L.; Li, H.-R.; Dong, X.-B. |
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Title |
Comparison of dwarf bamboos (Indocalamus sp.) leaf parameters to determine relationship between spatial density of plants and total leaf area per plant |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Ecology and evolution |
Abbreviated Journal |
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| |
Volume |
5 |
Issue |
20 |
Pages |
4578-4589 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The relationship between spatial density and size of plants is an important topic in plant ecology. The self-thinning rule suggests a −3/2 power between average biomass and density or a −1/2 power between stand yield and density. However, the self-thinning rule based on total leaf area per plant and density of plants has been neglected presumably because of the lack of a method that can accurately estimate the total leaf area per plant. We aimed to find the relationship between spatial density of plants and total leaf area per plant. We also attempted to provide a novel model for accurately describing the leaf shape of bamboos. We proposed a simplified Gielis equation with only two parameters to describe the leaf shape of bamboos one model parameter represented the overall ratio of leaf width to leaf length. Using this method, we compared some leaf parameters (leaf shape, number of leaves per plant, ratio of total leaf weight to aboveground weight per plant, and total leaf area per plant) of four bamboo species of genus Indocalamus Nakai (I. pedalis (Keng) P.C. Keng, I. pumilus Q.H. Dai and C.F. Keng, I. barbatus McClure, and I. victorialis P.C. Keng). We also explored the possible correlation between spatial density and total leaf area per plant using log-linear regression. We found that the simplified Gielis equation fit the leaf shape of four bamboo species very well. Although all these four species belonged to the same genus, there were still significant differences in leaf shape. Significant differences also existed in leaf area per plant, ratio of leaf weight to aboveground weight per plant, and leaf length. In addition, we found that the total leaf area per plant decreased with increased spatial density. Therefore, we directly demonstrated the self-thinning rule to improve light interception. |
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Corporate Author |
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Place of Publication |
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Editor |
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Language |
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Wos |
000363731500008 |
Publication Date |
2015-09-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
2045-7758 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:128662 |
Serial |
7691 |
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Author |
Blidar, A.; Trashin, S.; Carrion, E.N.; Gorun, S.M.; Cristea, C.; De Wael, K. |
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Title |
Enhanced photoelectrochemical detection of an analyte triggered by its concentration by a singlet oxygen-generating fluoro photosensitizer |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Acs Sensors |
Abbreviated Journal |
Acs Sensors |
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Volume |
5 |
Issue |
11 |
Pages |
3501-3509 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The use of a photocatalyst (photosensitizer) which produces singlet oxygen instead of enzymes for oxidizing analytes creates opportunities for designing cost-efficient and sensitive photoelectrochemical sensors. We report that perfluoroisopropyl-substituted zinc phthalocyanine (F64PcZn) interacts specifically with a complex phenolic compound, the antibiotic rifampicin (RIF), but not with hydroquinone or another complex phenolic compound, the antibiotic doxycycline. The specificity is imparted by the selective preconcentration of RIF in the photocatalytic layer, as revealed by electrochemical and optical measurements, complemented by molecular modeling that confirms the important role of a hydrophobic cavity formed by the iso-perfluoropropyl groups of the photocatalyst. The preconcentration effect favorably enhances the RIF photoelectrochemical detection limit as well as sensitivity to nanomolar (ppb) concentrations, LOD = 7 nM (6 ppb) and 2.8 A.M-1.cm(-2), respectively. The selectivity to RIF, retained in the photosensitizer layer, is further enhanced by the selective removal of all unretained phenols via simple washing of the electrodes with pure buffer. The utility of the sensor for analyzing municipal wastewater was demonstrated. This first demonstration of enhanced selectivity and sensitivity due to intrinsic interactions of a molecular photocatalyst (photosensitizer) with an analyte, without use of a biorecognition element, may allow the design of related, robust, simple, and viable sensors. |
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Place of Publication |
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Language |
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Wos |
000595550100021 |
Publication Date |
2020-10-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2379-3694 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.9 |
Times cited |
|
Open Access |
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Notes |
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Approved |
Most recent IF: 8.9; 2020 IF: NA |
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Call Number |
UA @ admin @ c:irua:176057 |
Serial |
7913 |
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| Permanent link to this record |
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Author |
Van Grieken, R.E.; Adams, F.C. |
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Title |
Folding of aerosol loaded filters during X-ray fluorescence analysis |
Type |
A1 Journal article |
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Year |
1976 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
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Volume |
5 |
Issue |
2 |
Pages |
61-67 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Folding aerosol loaded filters in two with the loaded side inwards during the X-ray analysis not only reduces possible filter heterogeneity effects and improves sample protection, but also increases the sensitivity and renders filter paper absorption corrections simple and more accurate in many instances. It is shown that folding an aerosol loaded Whatman filter paper during Kα X-rays counting leads to an increased sensitivity for all elements up from calcium, scandium or titanium (depending on the sensitivity definition and on the aerosol load) and for all elements up from phosphorus, sulphur or chlorine in the case of the Nuclepore filter. Although the absorption by the filter, into which the aerosol penetrates to some extent, is always more important in the sandwich than in the usual geometry, the dependence of the absorption correction on the usually unknown average deposition depth is less pronounced. Assuming all the aerosol material to be collected at the very surface of the filter and hence being present in the centre of the sandwich to be analysed, leads to an extremely simple filter paper absorption correction which is less prone to uncertainties than more sophisticated corrections in the usual geometry requiring additional measurements. This is the case for all elements up from potassium on Whatman filters and up from phosphorus on Nuclepore filters. |
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Wos |
A1976BM95300002 |
Publication Date |
2005-05-28 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0049-8246 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:116480 |
Serial |
7976 |
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Author |
Caratelli, D.; Gielis, J.; Ricci, P.E. |
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Title |
Fourier-like solution of the Dirichlet problem for the Laplace Equation in k-type Gielis domains |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Journal of pure and applied mathematics : advances and applications |
Abbreviated Journal |
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Volume |
5 |
Issue |
2 |
Pages |
99-111 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The interior and exterior Dirichlet problems for the Laplace equation in k-type Gielis domains are analytically addressed by using a suitable Fourier-like technique. A dedicated numerical procedure based on the computer-aided algebra tool Mathematica© is developed in order to validate the proposed approach. In this way, highly accurate approximations of the solution, featuring properties similar to the classical ones, are obtained. Computed results are found to be in good agreement with theoretical findings on Fourier series expansion presented by Carleson. |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:91090 |
Serial |
7982 |
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Author |
Gysels, K.; Delalieux, F.; Deutsch, F.; Van Grieken, R.; Camuffo, D.; Bernardi, A.; Sturaro, G.; Busse, H.-J.; Wieser, M. |
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Title |
Indoor environment and conservation in the Royal Museum of Fine Arts, Antwerp, Belgium |
Type |
A1 Journal article |
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Year |
2004 |
Publication |
Journal of cultural heritage |
Abbreviated Journal |
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Volume |
5 |
Issue |
|
Pages |
221-230 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Language |
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Wos |
000222196400010 |
Publication Date |
2004-05-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1296-2074 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:44970 |
Serial |
8084 |
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Author |
Van Winckel, T.; Vlaeminck, S.E.; Al-Omari, A.; Bachmann, B.; Sturm, B.; Wett, B.; Takács, I.; Bott, C.; Murthy, S.N.; De Clippeleir, H. |
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Title |
Screen versus cyclone for improved capacity and robustness for sidestream and mainstream deammonification |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Environmental Science: Water Research & Technology |
Abbreviated Journal |
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Volume |
5 |
Issue |
10 |
Pages |
1769-1781 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Deammonification systems are being implemented as cost- and resource-efficient nitrogen removal processes. However, their complexity is a major hurdle towards successful transposition from side- to mainstream application. Merely out-selecting nitrite oxidizing bacteria (NOB) or retaining anammox bacteria (AnAOB) does not guarantee efficient mainstream deammonification. This paper presents for the first time the interactions and synergies between kinetic selection, through management of residual substrates, and physical selection, through separation of solid retention times (SRTs). This allowed the formulation of tangible operational recommendations for successful deammonification. Activity measurements were used to establish retention efficiencies (η) for AnAOB for full-scale cyclones and rotating drum screens installed at a sidestream and mainstream deammonification reactor (Strass, Austria). In the sidestream reactor, using a screen (η = 91%) instead of a cyclone (η = 88%) may increase the capacity by up to 29%. For the mainstream reactor, higher AnAOB retention efficiencies achieved by the screen (η = 72%) compared to the cyclone (η = 42%) induced a prospective increase in capacity by 80–90%. In addition, the switch in combination with bioaugmentation from the sidestream made the process less dependent on nitrite availability, thus aiding in the outselection of NOB. This allowed for a more flexible (intermittent) aeration strategy and a reduced need for tight SRT control for NOB washout. A sensitivity analysis explored expected trends to provide possible operational windows for further calibration. In essence, characterization of the physical selectors at full scale allowed a deeper understanding of operational windows of the process and quantification of capacity, ultimately leading to a more space and energy conservation process. |
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Place of Publication |
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Language |
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Wos |
000487968200013 |
Publication Date |
2019-08-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
2053-1400 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:162540 |
Serial |
8498 |
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Author |
Vanderborght, B.M.; Van Grieken, R.E. |
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Title |
Trace metal analysis of water containing humic substances by X-ray fluorescence |
Type |
A1 Journal article |
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Year |
1978 |
Publication |
International journal of environmental analytical chemistry |
Abbreviated Journal |
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| |
Volume |
5 |
Issue |
3 |
Pages |
221-237 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Chelation by oxine followed by adsorption on activated carbon results in the efficient collection of many trace metal ions, independent of the trace metal concentration and of high alkali and alkaline earth ion abundances. Preconcentration factors around 10000 are often achieved. When this preconcentration procedure is combined with energy-dispersive X-ray fluorescence, accurate and precise analysis can be carried out, as was proven in several experiments. The technique can also be applied for the determination of divalent ions in natural waters containing up to 10 ppm of humic substances. Trivalent ions can quantitatively be collected from natural water provided suKicient activated carbon is added. Omitting the oxine chelation prior to the activated carbon adsorption step still results in collection of a sometimes important fraction of the trace metal ions from natural waters. This is related to organically bound or colloidal forms of the trace metals. |
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Wos |
A1978FR88000005 |
Publication Date |
2007-07-07 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0306-7319 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:116570 |
Serial |
8692 |
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Author |
Saeumel, I.; Ramirez, L.R.; Santolin, J.; Pintado, K. |
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Title |
A step to disentangle diversity patterns in Uruguayan grasslands : climatic seasonality, novel land-uses, and landscape context drive diversity of ground flora |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Conservation Science and Practice |
Abbreviated Journal |
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Volume |
5 |
Issue |
9 |
Pages |
1-20 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
South American grasslands contain extraordinary biodiversity and play a central role in the subsistence of regional agroecosystems. In recent decades, afforestation, followed by the soybean planting boom, have led to drastic land-use changes at the expense of grasslands. Impacts on local biodiversity have remained understudied. We explored the taxonomic richness and ss-diversity of plants of ground layer (excluding trees and shrubs) at different land uses, its interplay at regional scale with environmental heterogeneity, and at local scale with novel land cover types and landscape configurations. We conducted correlation, principal component, NDMS, and SDR analysis to explore variation of taxonomic richness, richness difference, replacement, and similarity of ground flora as response to environmental filters and land use change across Uruguay. We surveyed 160 plots distributed in 10 land cover types, that is, closed and open native forests, different grasslands, crops, orchards, and timber plantations. We observed overlaying regional patterns driven by seasonality of temperature and precipitation, and land cover shaping taxonomic richness at local scale. Landscape configuration affects diversity patterns of native ground flora, which seems to be sustained mainly by the “old growth grassland” species pool. Taxonomic richness of native species decreases with an increase of distance to grassland. Crops and grasslands harbor a higher number of native species in the ground flora than native forests and timber plantations. The introduction of exotics is driven mostly by crops or highly modified pastures. Diversity patterns only partially reflect the ecoregion concept. Expanding the perspective from conservation in purely natural ecosystems to measures conserving species richness in human-modified landscapes is a powerful tool against species loss in the Anthropocene. |
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Wos |
001034673500001 |
Publication Date |
2023-07-24 |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2578-4854 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ admin @ c:irua:198300 |
Serial |
8828 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Liu, J.; Wang, C.; Yu, W.; Zhao, H.; Hu, Z.-Y.; Liu, F.; Hasan, T.; Li, Y.; Van Tendeloo, G.; Li, C.; Su, B.-L. |
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| |
Title |
Bioinspired noncyclic transfer pathway electron donors for unprecedented hydrogen production |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
CCS chemistry |
Abbreviated Journal |
|
|
| |
Volume |
5 |
Issue |
6 |
Pages |
1470-1482 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Electron donors are widely exploited in visible-light photocatalytic hydrogen production. As a typical electron donor pair and often the first choice for hydrogen production, the sodium sulfide-sodium sulfite pair has been extensively used. However, the resultant thiosulfate ions consume the photogenerated electrons to form an undesirable pseudocyclic electron transfer pathway during the photocatalytic process, strongly limiting the solar energy conversion efficiency. Here, we report novel and bioinspired electron donor pairs offering a noncyclic electron transfer pathway that provides more electrons without the consumption of the photogenerated electrons. Compared to the state-of-the-art electron donor pair Na2S-Na2SO3, these novel Na2S-NaH2PO2 and Na2S-NaNO2 electron donor pairs enable an unprecedented enhancement of up to 370% and 140% for average photocatalytic H-2 production over commercial CdS nanoparticles, and they are versatile for a large series of photocatalysts for visible-light water splitting. The discovery of these novel electron donor pairs can lead to a revolution in photocatalysis and is of great significance for industrial visible-light-driven H-2 production. [GRAPHICS] . |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
001037091900008 |
Publication Date |
2022-06-30 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
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Edition |
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| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ admin @ c:irua:198409 |
Serial |
8837 |
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| Permanent link to this record |
| |
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| |
|
Author |
Wang, Y.; Yuan, Y.; Liao, X.; Van Tendeloo, G.; Zhao, Y.; Sun, C. |
|
| |
Title |
Chip-based in situ TEM investigation of structural thermal instability in aged layered cathode |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Nanoscale Advances |
Abbreviated Journal |
|
|
| |
Volume |
5 |
Issue |
16 |
Pages |
4182-4190 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Thermally induced oxygen release is an intrinsic structural instability in layered cathodes, which causes thermal runaway issues and becomes increasingly critical with the continuous improvement in energy density. Furthermore, thermal runaway events always occur in electrochemically aged cathodes, where the coupling of the thermal and electrochemical effect remains elusive. Herein, we report the anomalous segregation of cobalt metal in an aged LiCoO2 cathode, which is attributed to the local exposure of the high-energy (100) surface of LiCoO2 and weak interface Co-O dangling bonds significantly promoting the diffusion of Co. The presence of the LCO-Co interface severely aggregated the oxygen release in the form of dramatic Co growth. A unique particle-to-particle oxygen release pathway was also found, starting from the isolated high reduction areas induced by the cycling heterogeneity. This study provides atomistic insight into the robust coupling between the intrinsic structural instability and electrochemical cycling. |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
001030149900001 |
Publication Date |
2023-07-14 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2516-0230 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
4.7 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 4.7; 2023 IF: NA |
|
| |
Call Number |
UA @ admin @ c:irua:198281 |
Serial |
8841 |
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| Permanent link to this record |
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| |
|
Author |
Rakesh Roshan, S.C.; Yedukondalu, N.; Pandey, T.; Kunduru, L.; Muthaiah, R.; Rajaboina, R.K.; Ehm, L.; Parise, J.B. |
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| |
Title |
Effect of atomic mass contrast on lattice thermal conductivity : a case study for alkali halides and alkaline-earth chalcogenides |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
ACS applied electronic materials |
Abbreviated Journal |
|
|
| |
Volume |
5 |
Issue |
11 |
Pages |
5852-5863 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
Lattice thermal conductivity (kappa(L)) is of great scientific interest for the development of efficient energy conversion technologies. Therefore, microscopic understanding of phonon transport is critically important for designing functional materials. In our previous study (Roshan et al., ACS Applied Energy Mater. 2021, 5, 882-896), anomalous kappa(L) trends were predicted for rocksalt alkaline-earth chalcogenides (AECs). In the present work, we extended it to alkali halides (AHs) and conducted a thorough investigation to explore the role of atomic mass contrast on lattice dynamics and phonon transport properties of 36 binary compounds (20 AHs + 16 AECs). The calculated spectral and cumulative kappa(L) reveal that low-lying optical phonon modes significantly boost kappa(L) alongside acoustic phonons in materials where the atomic mass ratio approaches unity and cophonocity nears zero. Phonon scattering rates are relatively low for materials with a mass ratio close to one, and the corresponding phonon lifetimes are higher, which enhances kappa(L). Phonon lifetimes play a critical role, outweighing phonon group velocities, in determining the anomalous trends in kappa(L) for both AHs and AECs. To further explore the role of atomic mass contrast in kappa(L), the effect of tensile lattice strain on phonon transport has also been investigated. Under tensile strain, both group velocities and phonon lifetimes decrease in the low frequency range, leading to a decrease in kappa(L). This work provides insights on how atomic mass contrast can tune the contribution of optical phonons to kappa(L) and its implications on scattering rates by either enhancing or suppressing kappa(L). These insights would aid in the selection of elements for designing new functional materials with and without atomic mass contrast to achieve relatively high and low kappa(L) values, respectively. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
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Wos |
001096792500001 |
Publication Date |
2023-10-26 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2637-6113 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:201198 |
Serial |
9026 |
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| Permanent link to this record |
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| |
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Author |
van Cleempoel, A.; Joutsensaari, J.; Kauppinen, E.; Gijbels, R.; Claeys, M. |
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| |
Title |
Aerosol synthesis and characterization of ultrafine fullerene particles |
Type |
A1 Journal article |
| |
Year |
1998 |
Publication |
Fullerene science and technology |
Abbreviated Journal |
Fullerene Sci Techn |
|
| |
Volume |
6 |
Issue |
4 |
Pages |
599-627 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
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| |
Address |
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Corporate Author |
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Thesis |
|
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| |
Publisher |
|
Place of Publication |
New York |
Editor |
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| |
Language |
|
Wos |
000074859200001 |
Publication Date |
2008-04-23 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1064-122X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
3 |
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:24038 |
Serial |
78 |
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| Permanent link to this record |
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| |
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Author |
Dendooven, J.; Devloo-Casier, K.; Ide, M.; Grandfield; Kurttepeli; Ludwig, K.F.; Bals, S.; Van der Voort, P.; Detavernier, C. |
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| |
Title |
Atomic layer deposition-based tuning of the pore size in mesoporous thin films studied by in situ grazing incidence small angle X-ray scattering |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
|
| |
Volume |
6 |
Issue |
24 |
Pages |
14991-14998 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Atomic layer deposition (ALD) enables the conformal coating of porous materials, making the technique suitable for pore size tuning at the atomic level, e.g., for applications in catalysis, gas separation and sensing. It is, however, not straightforward to obtain information about the conformality of ALD coatings deposited in pores with diameters in the low mesoporous regime (<10 nm). In this work, it is demonstrated that in situ synchrotron based grazing incidence small angle X-ray scattering (GISAXS) can provide valuable information on the change in density and internal surface area during ALD of TiO2 in a porous titania film with small mesopores (3-8 nm). The results are shown to be in good agreement with in situ X-ray fluorescence data representing the evolution of the amount of Ti atoms deposited in the porous film. Analysis of both datasets indicates that the minimum pore diameter that can be achieved by ALD is determined by the size of the Ti-precursor molecule. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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| |
Language |
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Wos |
000345458200051 |
Publication Date |
2014-10-13 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2040-3364;2040-3372; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
7.367 |
Times cited |
41 |
Open Access |
OpenAccess |
|
| |
Notes |
239865 Cocoon; 335078 Colouratom; Fwo; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); |
Approved |
Most recent IF: 7.367; 2014 IF: 7.394 |
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| |
Call Number |
UA @ lucian @ c:irua:122227 |
Serial |
169 |
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| Permanent link to this record |
| |
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| |
|
Author |
Schryvers, D.; Holland-Moritz, D. |
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| |
Title |
Austenite and martensite microstructures in splat-cooled Ni-Al |
Type |
A1 Journal article |
| |
Year |
1998 |
Publication |
Intermetallics |
Abbreviated Journal |
Intermetallics |
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| |
Volume |
6 |
Issue |
|
Pages |
427-436 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Chicago, Ill. |
Editor |
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Language |
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Wos |
000074235500010 |
Publication Date |
2002-07-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
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| |
ISSN |
0966-9795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.14 |
Times cited |
13 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.14; 1998 IF: 1.785 |
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| |
Call Number |
UA @ lucian @ c:irua:48365 |
Serial |
209 |
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| Permanent link to this record |
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Author |
Oleshko, V.; Gijbels, R.; Jacob, W.; Lakiere, F.; van Daele, A.; Silaev, E.; Kaplun, L. |
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| |
Title |
Characterization of double structure tabular microcrystals of silver halide emulsions by means of electron energy-loss spectroscopy, zero-loss electron spectroscopic imaging and energy dispersive X-ray microanalysis |
Type |
A1 Journal article |
| |
Year |
1995 |
Publication |
Microscopy, microanalysis, microstructures |
Abbreviated Journal |
|
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| |
Volume |
6 |
Issue |
1 |
Pages |
79-88 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Ivry |
Editor |
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Language |
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Wos |
A1995QY30300008 |
Publication Date |
2003-08-13 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1154-2799; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
7 |
Open Access |
|
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| |
Notes |
|
Approved |
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| |
Call Number |
UA @ lucian @ c:irua:8457 |
Serial |
322 |
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| Permanent link to this record |
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| |
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Author |
Schütte, K.; Doddi, A.; Kroll, C.; Meyer, H.; Wiktor, C.; Gemel, C.; Van Tendeloo, G.; Fischer, R.A.; Janiak, C. |
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| |
Title |
Colloidal nickel/gallium nanoalloys obtained from organometallic precursors in conventional organic solvents and in ionic liquids : noble-metal-free alkyne semihydrogenation catalysts |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
|
| |
Volume |
6 |
Issue |
10 |
Pages |
5532-5544 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Efforts to replace noble-metal catalysts by low-cost alternatives are of constant interest. The organometallic, non-aqueous wet-chemical synthesis of various hitherto unknown nanocrystalline Ni/Ga intermetallic materials and the use of NiGa for the selective semihydrogenation of alkynes to alkenes are reported. Thermal co-hydrogenolysis of the all-hydrocarbon precursors [Ni(COD)(2)] (COD = 1,5-cyclooctadiene) and GaCp* (Cp* = pentamethylcyclopentadienyl) in high-boiling organic solvents mesitylene and n-decane in molar ratios of 1 : 1, 2 : 3 and 3 : 1 yields the nano-crystalline powder materials of the over-all compositions NiGa, Ni2Ga3 and Ni3Ga, respectively. Microwave induced co-pyrolysis of the same precursors without additional hydrogen in the ionic liquid [BMIm][BF4] (BMIm = 1-butyl-3-methyl-imidazolium) selectively yields the intermetallic phases NiGa and Ni3Ga from the respective 1 : 1 and 3 : 1 molar ratios of the precursors. The obtained materials are characterized by transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDX), IR, powder X-ray diffraction (PXRD) and atomic absorption spectroscopy (AAS). The single-source precursor [Ni(GaCp*)(PMe3)(3)] with a fixed Ni : Ga stoichiometry of 1 : 1 was employed as well. In comparison with the co-hydrogenolytic dual precursor source approach it turned out to be less practical due to inefficient nickel incorporation caused by the parasitic formation of stable [Ni(PMe3)(4)]. The use of ionic liquid [BMIm][BF4] as a non-conventional solvent to control the reaction and stabilize the nanoparticles proved to be particularly advantageous and stable colloids of the nanoalloys NiGa and Ni3Ga were obtained. A phase-selective Ni/Ga colloid synthesis in conventional solvents and in the presence of surfactants such as hexadecylamine (HDA) was not feasible due to the undesired reactivity of HDA with GaCp* leading to inefficient gallium incorporation. Recyclable NiGa nanoparticles selectively semihydrogenate 1-octyne and diphenylacetylene (tolan) to 1-octene and diphenylethylene, respectively, with a yield of about 90% and selectivities of up to 94 and 87%. Ni-NPs yield alkanes with a selectivity of 97 or 78%, respectively, under the same conditions. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
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Place of Publication |
Cambridge |
Editor |
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| |
Language |
|
Wos |
000335148800069 |
Publication Date |
2014-03-06 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2040-3364;2040-3372; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
7.367 |
Times cited |
40 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 7.367; 2014 IF: 7.394 |
|
| |
Call Number |
UA @ lucian @ c:irua:117251 |
Serial |
390 |
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| Permanent link to this record |
| |
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| |
|
Author |
Bogaerts, A.; Bultinck, E.; Eckert, M.; Georgieva, V.; Mao, M.; Neyts, E.; Schwaederlé, L. |
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| |
Title |
Computer modeling of plasmas and plasma-surface interactions |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
|
| |
Volume |
6 |
Issue |
5 |
Pages |
295-307 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
In this paper, an overview is given of different modeling approaches used for describing gas discharge plasmas, as well as plasma-surface interactions. A fluid model is illustrated for describing the detailed plasma chemistry in capacitively coupled rf discharges. The strengths and limitations of Monte Carlo simulations and of a particle-in-cell-Monte Carlo collisions model are explained for a magnetron discharge, whereas the capabilities of a hybrid Monte Carlo-fluid approach are illustrated for a direct current glow discharge used for spectrochemical analysis of materials. Finally, some examples of molecular dynamics simulations, for the purpose of plasma-deposition, are given. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
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Place of Publication |
Weinheim |
Editor |
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| |
Language |
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Wos |
000266471800003 |
Publication Date |
2009-04-20 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1612-8850;1612-8869; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.846 |
Times cited |
18 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.846; 2009 IF: 4.037 |
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| |
Call Number |
UA @ lucian @ c:irua:76833 |
Serial |
461 |
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| Permanent link to this record |
| |
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| |
|
Author |
Bertoni, G.; Grillo, V.; Brescia, R.; Ke, X.; Bals, S.; Catellani, A.; Li, H.; Manna, L. |
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| |
Title |
Direct determination of polarity, faceting, and core location in colloidal core/shell wurtzite semiconductor nanocrystals |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
|
| |
Volume |
6 |
Issue |
7 |
Pages |
6453-6461 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
The ability to determine the atomic arrangement and termination of various facets of surfactant-coated nanocrystals is of great importance for understanding their growth mechanism and their surface properties and represents a critical piece of information that can be coupled to other experimental techniques and to calculations. This is especially appealing in the study of nanocrystals that can be grown in strongly anisotropic shapes, for which the relative growth rates of various facets can be influenced under varying reaction conditions. Here we show that in two representative cases of rod-shaped nanocrystals in the wurtzite phase (CdSe(core)/CdS(shell) and ZnSe(core)/ZnS(shell) nanorods) the terminations of the polar facets can be resolved unambiguously by combining advanced electron microscopy techniques, such as aberration-corrected HRTEM with exit wave reconstruction or aberration-corrected HAADF-STEM. The [0001] and [000-1] polar directions of these rods, which grow preferentially along their c-axis, are revealed clearly, with one side consisting of the Cd (or Zn)-terminated (0001) facet and the other side with a pronounced faceting due to Cd (or Zn)-terminated {10-1-1} facets. The lateral faceting of the rods is instead dominated by three nonpolar {10-10} facets. The core buried in the nanostructure can be localized in both the exit wave phase and HAADF-STEM images. |
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Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
000306673800079 |
Publication Date |
2012-06-18 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1936-0851;1936-086X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
13.942 |
Times cited |
63 |
Open Access |
|
|
| |
Notes |
The authors gratefully acknowledge funding from the European Research Council under grant number 240111 (NANO-ARCH) and the financial support from the Flemish Hercules 3 Programme for large infrastructures. G.B. and V.G. thank E. Rotunno for his help with STEM_CELL and IWFR. |
Approved |
Most recent IF: 13.942; 2012 IF: 12.062 |
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| |
Call Number |
UA @ lucian @ c:irua:101138 |
Serial |
710 |
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| Permanent link to this record |
| |
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| |
|
Author |
Colla, M.-S.; Amin-Ahmadi, B.; Idrissi, H.; Malet, L.; Godet, S.; Raskin, J.-P.; Schryvers, D.; Pardoen, T. |
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| |
Title |
Dislocation-mediated relaxation in nanograined columnar palladium films revealed by on-chip time-resolved HRTEM testing |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
|
| |
Volume |
6 |
Issue |
6 |
Pages |
5922 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The high-rate sensitivity of nanostructured metallic materials demonstrated in the recent literature is related to the predominance of thermally activated deformation mechanisms favoured by a large density of internal interfaces. Here we report time-resolved high-resolution electron transmission microscopy creep tests on thin nanograined films using on-chip nanomechanical testing. Tests are performed on palladium, which exhibited unexpectedly large creep rates at room temperature. Despite the small 30-nm grain size, relaxation is found to be mediated by dislocation mechanisms. The dislocations interact with the growth nanotwins present in the grains, leading to a loss of coherency of twin boundaries. The density of stored dislocations first increases with applied deformation, and then decreases with time to drive additional deformation while no grain boundary mechanism is observed. This fast relaxation constitutes a key issue in the development of various micro- and nanotechnologies such as palladium membranes for hydrogen applications. |
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Wos |
000348742300002 |
Publication Date |
2015-01-05 |
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ISSN |
2041-1723; |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.124 |
Times cited |
34 |
Open Access |
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Notes |
Iap7/21; Fwo G012012n |
Approved |
Most recent IF: 12.124; 2015 IF: 11.470 |
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Call Number |
c:irua:122045 |
Serial |
731 |
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Author |
De Backer, L.; Vos, W.; Dieriks, B.; Daems, D.; Verhulst, S.; Vinchurkar, S.; Ides, K.; de Backer, J.; Germonpré, P.; de Backer, W. |
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Title |
The effects of long-term noninvasive ventilation in hypercapnic COPD patients : a randomized controlled pilot study |
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A1 Journal article |
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Year |
2011 |
Publication |
International journal of chronic obstructive pulmonary disease |
Abbreviated Journal |
Int J Chronic Obstr |
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Volume |
6 |
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Pages |
615-624 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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Abstract |
Introduction: Noninvasive ventilation (NIV) is a well-established treatment for acute-on-chronic respiratory failure in hypercapnic COPD patients. Less is known about the effects of a long-term treatment with NIV in hypercapnic COPD patients and about the factors that may predict response in terms of improved oxygenation and lowered CO2 retention.Methods: In this study, we randomized 15 patients to a routine pharmacological treatment (n = 5, age 66 [standard deviation ± 6] years, FEV1 30.5 [±5.1] %pred, PaO2 65 [±6] mmHg, PaCO2 52.4 [±6.0] mmHg) or to a routine treatment and NIV (using the Synchrony BiPAP device [Respironics, Inc, Murrsville, PA]) (n = 10, age 65 [±7] years, FEV1 29.5 [±9.0] %pred, PaO2 59 [±13] mmHg, PaCO2 55.4 [±7.7] mmHg) for 6 months. We looked at arterial blood gasses, lung function parameters and performed a low-dose computed tomography of the thorax, which was later used for segmentation (providing lobe and airway volumes, iVlobe and iVaw) and post-processing with computer methods (providing airway resistance, iRaw) giving overall a functional image of the separate airways and lobes.Results: In both groups there was a nonsignificant change in FEV1 (NIV group 29.5 [9.0] to 38.5 [14.6] %pred, control group 30.5 [5.1] to 36.8 [8.7] mmHg). PaCO2 dropped significantly only in the NIV group (NIV: 55.4 [7.7] → 44.5 [4.70], P = 0.0076; control: 52.4 [6.0] → 47.6 [8.2], NS). Patients actively treated with NIV developed a more inhomogeneous redistribution of mass flow than control patients. Subsequent analysis indicated that in NIV-treated patients that improve their blood gases, mass flow was also redistributed towards areas with higher vessel density and less emphysema, indicating that flow was redistributed towards areas with better perfusion. There was a highly significant correlation between the % increase in mass flow towards lobes with a blood vessel density of >9% and the increase in PaO2. Improved ventilation–perfusion match and recruitment of previously occluded small airways can explain the improvement in blood gases.Conclusion: We can conclude that in hypercapnic COPD patients treated with long-term NIV over 6 months, a mass flow redistribution occurs, providing a better ventilation–perfusion match and hence better blood gases and lung function. Control patients improve homogeneously in iVaw and iRaw, without improvement in gas exchange since there is no improved ventilation/perfusion ratio or increased alveolar ventilation. These differences in response can be detected through functional imaging, which gives a more detailed report on regional lung volumes and resistances than classical lung function tests do. Possibly only patients with localized small airway disease are good candidates for long-term NIV treatment. To confirm this and to see if better arterial blood gases also lead to better health related quality of life and longer survival, we have to study a larger population. |
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000208709800066 |
Publication Date |
2011-11-18 |
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ISSN |
1178-2005; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.157 |
Times cited |
28 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.157; 2011 IF: NA |
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Call Number |
UA @ lucian @ c:irua:93164 |
Serial |
866 |
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