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Records |
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Author |
Yadav, D.K.; Kumar, S.; Saloni; Misra, S.; Yadav, L.; Teli, M.; Sharma, P.; Chaudhary, S.; Kumar, N.; Choi, E.H.; Kim, H.S.; Kim, M.-hyun |
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Title |
Molecular Insights into the Interaction of RONS and Thieno[3,2-c]pyran Analogs with SIRT6/COX-2: A Molecular Dynamics Study |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
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| |
Volume |
8 |
Issue |
8 |
Pages |
4777 |
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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 |
SIRT6 and COX-2 are oncogenes target that promote the expression of proinflammatory and pro-survival proteins through a signaling pathway, which leads to increased survival and proliferation of tumor cells. However, COX-2 also suppresses skin tumorigenesis and their relationship with SIRT6, making it an interesting target for the discovery of drugs with anti-inflammatory and anti-cancer properties. Herein, we studied the interaction of thieno[3,2-c] pyran analogs and RONS species with SIRT6 and COX-2 through the use of molecular docking and molecular dynamic simulations. Molecular docking studies revealed the importance of hydrophobic and hydrophilic amino acid residues for the stability. The molecular dynamics study examined conformational changes in the enzymes caused by the binding of the substrates and how those changes affected the stability of the protein-drug complex. The average RMSD values of the backbone atoms in compounds 6 and 10 were calculated from 1000 ps to 10000 ps and were found to be 0.13 nm for both compounds. Similarly, the radius of gyration values for compounds 6 and 10 were found to be 1.87 +/- 0.03 nm and 1.86 +/- 0.02 nm, respectively. The work presented here, will be of great help in lead identification and optimization for early drug discovery. |
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Publisher |
Nature Publishing Group |
Place of Publication |
London |
Editor |
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Language |
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Wos |
000427685200002 |
Publication Date |
2018-03-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2045-2322 |
ISBN |
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Additional Links  |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.259 |
Times cited |
10 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.259 |
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Call Number |
UA @ lucian @ c:irua:150841 |
Serial |
4974 |
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Author |
Pinto, N.; Rezvani, S.J.; Perali, A.; Flammia, L.; Milošević, M.V.; Fretto, M.; Cassiago, C.; De Leo, N. |
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Title |
Dimensional crossover and incipient quantum size effects in superconducting niobium nanofilms |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
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| |
Volume |
8 |
Issue |
8 |
Pages |
4710 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Superconducting and normal state properties of Niobium nanofilms have been systematically investigated as a function of film thickness, on different substrates. The width of the superconductingto- normal transition for all films is remarkably narrow, confirming their high quality. The superconducting critical current density exhibits a pronounced maximum for thickness around 25 nm, marking the 3D-to-2D crossover. The magnetic penetration depth shows a sizeable enhancement for the thinnest films. Additional amplification effects of the superconducting properties have been obtained with sapphire substrates or squeezing the lateral size of the nanofilms. For thickness close to 20 nm we measured a doubled perpendicular critical magnetic field compared to its large thickness value, indicating shortening of the correlation length and the formation of small Cooper pairs. Our data analysis indicates an exciting interplay between quantum-size and proximity effects together with strong-coupling effects and the importance of disorder in the thinnest films, placing these nanofilms close to the BCS-BEC crossover regime. |
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Thesis |
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Publisher |
Nature Publishing Group |
Place of Publication |
London |
Editor |
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Language |
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Wos |
000427588300011 |
Publication Date |
2018-03-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2045-2322 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.259 |
Times cited |
37 |
Open Access |
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Notes |
; We thank Antonio Bianconi, Mauro Doria and Vincenzo Lacquaniti for useful discussions. We acknowledge the collaboration with Federica Celegato for AFM analysis and Sara Quercetti for the electrical properties characterization. A. P. and N. P. acknowledge financial support from University of Camerino FAR project CESEMN. We also acknowledge the collaboration within the MultiSuper International Network (http://www.multisuper.org) for exchange of ideas and suggestions. ; |
Approved |
Most recent IF: 4.259 |
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Call Number |
UA @ lucian @ c:irua:150843UA @ admin @ c:irua:150843 |
Serial |
4965 |
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Author |
Belov, I.; Vermeiren, V.; Paulussen, S.; Bogaerts, A. |
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Title |
Carbon dioxide dissociation in a microwave plasma reactor operating in a wide pressure range and different gas inlet configurations |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Journal of CO2 utilization |
Abbreviated Journal |
J Co2 Util |
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| |
Volume |
24 |
Issue |
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Pages |
386-397 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Microwave (MW) plasmas represent a promising solution for efficient CO2 dissociation. MW discharges are also very versatile and can be sustained at various pressure and gas flow regimes. To identify the most favorable conditions for the further scale-up of the CO2 decomposition reaction, a MW plasma reactor operating in pure CO2 in a wide pressure range (200 mbar–1 bar) is studied. Three different gas flow configurations are explored: a direct, reverse and a vortex regime. The CO2 conversion and energy efficiency drop almost linearly with increasing pressure, regardless of the gas flow regime. The results obtained in the direct flow configuration underline the importance of post-discharge cooling, as the exhaust of the MW plasma reactor in this regime expanded into the vacuum chamber without additional quenching. As a result, this system yields exhaust temperatures of up to 1000 K, which explains the lowest conversion (∼3.5% at 200 mbar and 2% at 1 bar). A post-discharge cooling step is introduced for the reverse gas inlet regime and allows the highest conversion to be achieved (∼38% at 200 mbar and 6.2% at 1 bar, with energy efficiencies of 23% and 3.7%). Finally, a tangential gas inlet is utilized in the vortex configuration to generate a swirl flow pattern. This results in the generation of a stable discharge in a broader range of CO2 flows (15–30 SLM) and the highest energy efficiencies obtained in this study (∼25% at 300 mbar and ∼13% at 1 bar, at conversions of 21% and 12%). The experimental results are complemented with computational fluid dynamics simulations and with the analysis of the latest literature to identify the further research directions. |
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Place of Publication |
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Language |
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Wos |
000428234500045 |
Publication Date |
2018-03-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2212-9820 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.292 |
Times cited |
8 |
Open Access |
Not_Open_Access: Available from 16.03.2020
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Notes |
The research leading to these results has received funding from the European Union Seventh Framework Programme (FP7-PEOPLE-2013- ITN) under Grant Agreement№606889 (R |
Approved |
Most recent IF: 4.292 |
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Call Number |
PLASMANT @ plasmant @c:irua:150874 |
Serial |
4955 |
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| Permanent link to this record |
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Author |
Zhang, Q.-Z.; Bogaerts, A. |
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Title |
Propagation of a plasma streamer in catalyst pores |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
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Volume |
27 |
Issue |
3 |
Pages |
035009 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Although plasma catalysis is gaining increasing interest for various environmental applications, the underlying mechanisms are still far from understood. For instance, it is not yet clear whether and how plasma streamers can propagate in catalyst pores, and what is the minimum pore size to make this happen. As this is crucial information to ensure good plasma-catalyst interaction, we study here the mechanism of plasma streamer propagation in a catalyst pore, by means of a twodimensional particle-in-cell/Monte Carlo collision model, for various pore diameters in the nm range to μm-range. The so-called Debye length is an important criterion for plasma penetration into catalyst pores, i.e. a plasma streamer can penetrate into pores when their diameter is larger than the Debye length. The Debye length is typically in the order of a few 100 nm up to 1 μm at the conditions under study, depending on electron density and temperature in the plasma streamer. For pores in the range of ∼50 nm, plasma can thus only penetrate to some extent and at
very short times, i.e. at the beginning of a micro-discharge, before the actual plasma streamer reaches the catalyst surface and a sheath is formed in front of the surface. We can make plasma streamers penetrate into smaller pores (down to ca. 500 nm at the conditions under study) by increasing the applied voltage, which yields a higher plasma density, and thus reduces the Debye length. Our simulations also reveal that the plasma streamers induce surface charging of the catalyst pore sidewalls, causing discharge enhancement inside the pore, depending on pore diameter and depth. |
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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 |
000427976800001 |
Publication Date |
2018-03-20 |
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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 |
1361-6595 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.302 |
Times cited |
16 |
Open Access |
OpenAccess |
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Notes |
We acknowledge financial support from the European Marie Skłodowska-Curie Individual Fellowship within H2020 (Grant Agreement 702604) and from the Fund for Scientific Research Flanders (FWO) (Excellence of Science Program; EOS ID 30505023). This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. |
Approved |
Most recent IF: 3.302 |
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Call Number |
PLASMANT @ plasmant @c:irua:150877 |
Serial |
4954 |
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Author |
Wang, Z.; Zhang, Y.; Neyts, E.C.; Cao, X.; Zhang, X.; Jang, B.W.-L.; Liu, C.-jun |
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Title |
Catalyst preparation with plasmas : how does it work? |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
ACS catalysis |
Abbreviated Journal |
Acs Catal |
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Volume |
8 |
Issue |
3 |
Pages |
2093-2110 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Catalyst preparation with plasmas is increasingly attracting interest. A plasma is a partially ionized gas, consisting of electrons, ions, molecules, radicals, photons, and excited species, which are all active species for catalyst preparation and treatment. Under the influence of plasma, nucleation and crystal growth in catalyst preparation can be very different from those in the conventional thermal approach. Some thermodynamically unfavorable reactions can easily take place with plasmas. Compounds such as sulfides, nitrides, and phosphides that are produced under harsh conditions can be synthesized by plasma under mild conditions. Plasmas can produce catalysts with smaller particle sizes and controllable structure. Plasma is also a facile tool for reduction, oxidation, doping, etching, coating, alloy formation, surface treatment, and surface cleaning in a simple and direct way. A rapid and convenient plasma template removal has thus been established for zeolite synthesis. It can operate at room temperature and allows the catalyst preparation on temperature-sensitive supporting materials. Plasma is typically effective for the production of various catalysts on metallic substrates. In addition, plasma-prepared transition-metal catalysts show enhanced low-temperature activity with improved stability. This provides a useful model catalyst for further improvement of industrial catalysts. In this review, we aim to summarize the recent advances in catalyst preparation with plasmas. The present understanding of plasma-based catalyst preparation is discussed. The challenges and future development are addressed. |
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Publisher |
Amer chemical soc |
Place of Publication |
Washington |
Editor |
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Language |
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Wos |
000426804100055 |
Publication Date |
2018-01-29 |
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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 |
2155-5435 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
10.614 |
Times cited |
81 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 10.614 |
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Call Number |
UA @ lucian @ c:irua:150880 |
Serial |
4963 |
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Author |
Lan Thanh Nguyen; Anh Pham Hoai Nguyen; Van Passel, S.; Azadi, H.; Lebailly, P. |
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Title |
Access to preferential loans for poverty reduction and rural development : evidence from Vietnam |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal Of Economic Issues |
Abbreviated Journal |
J Econ Issues |
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Volume |
52 |
Issue |
1 |
Pages |
246-269 |
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Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
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Abstract |
Preferential loans play an important role in the process of reducing poverty in developing countries. Considering the data set from the 2010 Vietnam Household Living Standards Survey, we aim to examine the influential factors in probability of households getting access to preferential loans. Additionally, we analyze the determinants of household income in association with the loans by applying a quantile regression model. Our results show that ethnicity-related factors have the largest marginal effect on the access to preferential loans. The results from the quantile regression model demonstrate that the debt factor has a deeper impact on the borrowing group at the lower quantiles of household income. |
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Place of Publication |
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Wos |
000426925300012 |
Publication Date |
2018-12-05 |
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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 |
0021-3624 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
0.581 |
Times cited |
3 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 0.581 |
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Call Number |
UA @ admin @ c:irua:150919 |
Serial |
6146 |
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Author |
Mahr, C.; Müller-Caspary, K.; Graf, M.; Lackmann, A.; Grieb, T.; Schowalter, M.; Krause, F.F.; Mehrtens, T.; Wittstock, A.; Weissmueller, J.; Rosenauer, A. |
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Title |
Measurement of local crystal lattice strain variations in dealloyed nanoporous gold |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Materials research letters |
Abbreviated Journal |
Mater Res Lett |
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Volume |
6 |
Issue |
1 |
Pages |
84-92 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Reversible macroscopic length changes in nanoporous structures can be achieved by applying electric potentials or by exposing them to different gases or liquids. Thus, these materials are interesting candidates for applications as sensors or actuators. Macroscopic length changes originate from microscopic changes of crystal lattice parameters. In this report, we show spatially resolved measurements of crystal lattice strain in dealloyed nanoporous gold. The results confirm theory by indicating a compression of the lattice along the axis of cylindrically shaped ligaments and an expansion in radial direction. Furthermore, we show that curved npAu surfaces show inward relaxation of the surface layer. [GRAPHICS] . |
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Thesis |
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Publisher |
Taylor & Francis |
Place of Publication |
Abingdon |
Editor |
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Language |
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Wos |
000428141500013 |
Publication Date |
2017-11-03 |
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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 |
2166-3831 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.773 |
Times cited |
4 |
Open Access |
Not_Open_Access |
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Notes |
; This work has been supported by the Deutsche Forschungsgemeinschaft (DFG) under contracts no. RO2057/12-1 (SP 6), WI4497/1-1 (SP 2) and WE1424/17-1 (SP 3) within the research unit FOR2213 (www.nagocat.de). K.M.-C acknowledges support by the DFG under contract no. MU3660/1-1 and T.G. under contract no. RO2057/ 11-1. ; |
Approved |
Most recent IF: 4.773 |
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Call Number |
UA @ lucian @ c:irua:150921 |
Serial |
4973 |
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Author |
van Walsem, J.; Roegiers, J.; Modde, B.; Lenaerts, S.; Denys, S. |
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Title |
Integration of a photocatalytic multi-tube reactor for indoor air purification in HVAC systems : a feasibility study |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Environmental Science and Pollution Research |
Abbreviated Journal |
Environ Sci Pollut R |
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Volume |
25 |
Issue |
18 |
Pages |
18015-18026 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
This work is focused on an in-depth experimental characterization of multi-tube reactors for indoor air purification integrated in ventilation systems. Glass tubes were selected as an excellent photocatalyst substrate to meet the challenging requirements of the operating conditions in a ventilation system in which high flow rates are typical. Glass tubes show a low-pressure drop which reduces the energy demand of the ventilator, and additionally, they provide a large exposed surface area to allow interaction between indoor air contaminants and the photocatalyst. Furthermore, the performance of a range of P25-loaded sol-gel coatings was investigated, based on their adhesion properties and photocatalytic activities. Moreover, the UV light transmission and photocatalytic reactor performance under various operating conditions were studied. These results provide vital insights for the further development and scaling up of multi-tube reactors in ventilation systems which can provide a better comfort, improved air quality in indoor environments, and reduced human exposure to harmful pollutants. |
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Place of Publication |
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Wos |
000436879200071 |
Publication Date |
2018-04-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0944-1344; 1614-7499 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.741 |
Times cited |
3 |
Open Access |
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Notes |
; J.V.W. acknowledges the Agentschap Innoveren and Ondernemen for a PhD fellowship. ; |
Approved |
Most recent IF: 2.741 |
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Call Number |
UA @ admin @ c:irua:150946 |
Serial |
5967 |
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Author |
de Jong van Coevorden, C.M.; Gielis, J.; Caratelli, D. |
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Title |
Application of Gielis transformation to the design of metamaterial structures |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of physics : conference series |
Abbreviated Journal |
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Volume |
963 |
Issue |
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Pages |
Unsp 012008 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
In this communication, the use of Gielis transformation to design more compact metamaterial unit cells is explored. For this purpose, transformed complementary split ring resonators and spiral resonators are coupled to micro-strip lines and theirbehaviour is investigated. The obtained results confirm that the useof the considered class of supershaped geometries enables the synthesis of very compact scalable microwave components. |
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Place of Publication |
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Wos |
000435022800008 |
Publication Date |
2018-02-20 |
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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 |
1742-6588; 1742-6596 |
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:150947 |
Serial |
7475 |
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Author |
Lin, S.; Shao, L.; Hui, C.; Song, Y.; Reddy, G.V.P.; Gielis, J.; Li, F.; Ding, Y.; Wei, Q.; Shi, P.; Reddy, G.V.P. |
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Title |
Why does not the leaf weight-area allometry of bamboos follow the 3/2-power law? |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Frontiers in plant science |
Abbreviated Journal |
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Volume |
9 |
Issue |
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Pages |
583 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The principle of similarity (Thompson, 1917) states that the weight of an organism follows the 3/2-power law of its surface area and is proportional to its volume on the condition that the density is constant. However, the allometric relationship between leaf weight and leaf area has been reported to greatly deviate from the 3/2-power law, with the irregularity of leaf density largely ignored for explaining this deviation. Here, we choose 11 bamboo species to explore the allometric relationships among leaf area (A), density (ρ), length (L), thickness (T), and weight (W). Because the edge of a bamboo leaf follows a simplified two-parameter Gielis equation, we could show that A ∝ L2 and that A ∝ T2. This then allowed us to derive the density-thickness allometry ρ ∝ Tb and the weight-area allometry W ∝ A(b+3)/2 ≈ A9/8, where b approximates −3/4. Leaf density is strikingly negatively associated with leaf thickness, and it is this inverse relationship that results in the weight-area allometry to deviate from the 3/2-power law. In conclusion, although plants are prone to invest less dry mass and thus produce thinner leaves when the leaf area is sufficient for photosynthesis, such leaf thinning needs to be accompanied with elevated density to ensure structural stability. The findings provide the insights on the evolutionary clue about the biomass investment and output of photosynthetic organs of plants. Because of the importance of leaves, plants could have enhanced the ratio of dry material per unit area of leaf in order to increase the efficiency of photosynthesis, relative the other parts of plants. Although the conclusion is drawn only based on 11 bamboo species, it should also be applicable to the other plants, especially considering previous works on the exponent of the weight-area relationship being less than 3/2 in plants. |
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Wos |
000431415100001 |
Publication Date |
2018-05-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1664-462x |
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:150948 |
Serial |
8758 |
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| Permanent link to this record |
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Author |
Gielis, J.; Caratelli, D.; de Jong van Coevorden, M.; Ricci, P.E. |
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Title |
The common descent of biological shape description and special functions |
Type |
H1 Book chapter |
| |
Year |
2018 |
Publication |
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Abbreviated Journal |
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| |
Volume |
230 |
Issue |
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Pages |
119-131
T2 - Differential and difference equations |
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Keywords |
H1 Book chapter; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Gielis transformations, with their origin in botany, are used to define square waves and trigonometric functions of higher order. They are rewritten in terms of Chebyshev polynomials. The origin of both, a uniform descriptor and the origin of orthogonal polynomials, can be traced back to a letter of Guido Grandi to Leibniz in 1713 on the mathematical description of the shape of flowers. In this way geometrical description and analytical tools are seamlessly combined. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000451375900010 |
Publication Date |
2018-05-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
978-3-319-75646-2; 2194-1009; 978-3-319-75647-9; 978-3-319-75646-2 |
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:150949 |
Serial |
7685 |
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| Permanent link to this record |
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Author |
Heyne, M.H.; de Marneffe, J.-F.; Nuytten, T.; Meersschaut, J.; Conard, T.; Caymax, M.; Radu, I.; Delabie, A.; Neyts, E.C.; De Gendt, S. |
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Title |
The conversion mechanism of amorphous silicon to stoichiometric WS2 |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
J Mater Chem C |
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| |
Volume |
6 |
Issue |
15 |
Pages |
4122-4130 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The deposition of ultra-thin tungsten films and their related 2D chalcogen compounds on large area dielectric substrates by gas phase reactions is challenging. The lack of nucleation sites complicates the adsorption of W-related precursors and subsequent sulfurization usually requires high temperatures. We propose here a technique in which a thin solid amorphous silicon film is used as reductant for the gas phase precursor WF6 leading to the conversion to metallic W. The selectivity of the W conversion towards the underlying dielectric surfaces is demonstrated. The role of the Si surface preparation, the conversion temperature, and Si thickness on the formation process is investigated. Further, the in situ conversion of the metallic tungsten into thin stoichiometric WS2 is achieved by a cyclic approach based on WF6 and H2S pulses at the moderate temperature of 450 1C, which is much lower than usual oxide sulfurization processes. |
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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 |
000430538000036 |
Publication Date |
2018-03-20 |
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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 |
2050-7526 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
5.256 |
Times cited |
4 |
Open Access |
OpenAccess |
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| |
Notes |
This work was supported throughout a strategic fundamental research grant for M. H. by the agency Flanders innovation & entrepreneurship (VLAIO). |
Approved |
Most recent IF: 5.256 |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:150968 |
Serial |
4921 |
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| Permanent link to this record |
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Author |
Wang, W.; Snoeckx, R.; Zhang, X.; Cha, M.S.; Bogaerts, A. |
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Title |
Modeling Plasma-based CO2and CH4Conversion in Mixtures with N2, O2, and H2O: The Bigger Plasma Chemistry Picture |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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| |
Volume |
122 |
Issue |
16 |
Pages |
8704-8723 |
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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 |
Because of the unique properties of plasma technology, its use in gas conversion applications is gaining significant interest around the globe. Plasma-based CO2 and CH4 conversion has become a major research area. Many investigations have already been performed regarding the single-component gases, that is, CO2 splitting and CH4 reforming, as well as for two-component mixtures, that is, dry reforming of methane
(CO2/CH4), partial oxidation of methane (CH4/O2), artificial photosynthesis (CO2/H2O), CO2 hydrogenation (CO2/H2), and even first steps toward the influence of N2 impurities have been taken, that is, CO2/N2 and CH4/N2. In this Feature Article we briefly discuss the advances made in literature for these different steps from a plasma chemistry modeling point of view. Subsequently, we present a comprehensive plasma chemistry set, combining the knowledge gathered in this field so far and supported with extensive experimental data. This set can be used for chemical kinetics plasma modeling for all possible combinations of CO2, CH4, N2, O2, and H2O to investigate the bigger picture of the underlying plasmachemical pathways for these mixtures in a dielectric barrier discharge plasma. This is extremely valuable
for the optimization of existing plasma-based CO2 conversion and CH4 reforming processes as well as for investigating the influence of N2, O2, and H2O on these processes and even to support plasma-based multireforming processes. |
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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 |
000431151200002 |
Publication Date |
2018-04-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1932-7447 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
28 |
Open Access |
OpenAccess |
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Notes |
Federaal Wetenschapsbeleid, IAP/7 ; King Abdullah University of Science and Technology; H2020 Marie Sklodowska-Curie Actions, 657304 ; Fonds Wetenschappelijk Onderzoek, G.0217.14N G.0383.16N G.0254.14N ; |
Approved |
Most recent IF: 4.536 |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:150969 |
Serial |
4922 |
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| Permanent link to this record |
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Author |
Uytdenhouwen, Y.; Van Alphen, S.; Michielsen, I.; Meynen, V.; Cool, P.; Bogaerts, A. |
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Title |
A packed-bed DBD micro plasma reactor for CO 2 dissociation: Does size matter? |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
348 |
Issue |
|
Pages |
557-568 |
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Keywords |
A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
DBD plasma reactors are of great interest for environmental and energy applications, such as CO2 conversion, but they suffer from limited conversion and especially energy efficiency. The introduction of packing materials has been a popular subject of investigation in order to increase the reactor performance. Reducing the discharge gap of the reactor below one millimetre can enhance the plasma performance as well. In this work, we combine both effects and use a packed-bed DBD micro plasma reactor to investigate the influence of gap size reduction, in combination with a packing material, on the conversion and efficiency of CO2 dissociation. Packing materials used in this work were SiO2, ZrO2, and Al2O3 spheres as well as glass wool. The results are compared to a regular size reactor as a benchmark. Reducing the discharge gap can greatly increase the CO2 conversion, although at a lower energy efficiency. Adding a packing material further increases the conversion when keeping a constant residence time, but is greatly dependent on the material composition, gap and sphere size used. Maximum conversions of 50–55% are obtained for very long residence times (30 s and higher) in an empty reactor or with certain packing material combinations, suggesting a balance in CO2 dissociation and recombination reactions. The maximum energy efficiency achieved is 4.3%, but this is for the regular sized reactor at a short residence time (7.5 s). Electrical characterization is performed to reveal some trends in the electrical behaviour of the plasma upon reduction of the discharge gap and addition of a packing material. |
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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 |
000434467000055 |
Publication Date |
2018-05-03 |
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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 |
1385-8947 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
6.216 |
Times cited |
22 |
Open Access |
Not_Open_Access: Available from 03.05.2020
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Notes |
We acknowledge financial support from the European Fund for Regional Development through the cross-border collaborative Interreg V program Flanders-the Netherlands (project EnOp), the Fund for Scientific Research (FWO; Grant Number: G.0254.14N) and an IOF-SBO (SynCO2Chem) project from the University of Antwerp. |
Approved |
Most recent IF: 6.216 |
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Call Number |
PLASMANT @ plasmant @c:irua:151238 |
Serial |
4956 |
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| Permanent link to this record |
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Author |
Lackmann, J.-W.; Wende, K.; Verlackt, C.; Golda, J.; Volzke, J.; Kogelheide, F.; Held, J.; Bekeschus, S.; Bogaerts, A.; Schulz-von der Gathen, V.; Stapelmann, K. |
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Title |
Chemical fingerprints of cold physical plasmas – an experimental and computational study using cysteine as tracer compound |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
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| |
Volume |
8 |
Issue |
1 |
Pages |
7736 |
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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 |
Reactive oxygen and nitrogen species released by cold physical plasma are being proposed as effectors in various clinical conditions connected to inflammatory processes. As these plasmas can be tailored in a wide range, models to compare and control their biochemical footprint are desired to infer on the molecular mechanisms underlying the observed effects and to enable the discrimination between different plasma sources. Here, an improved model to trace short-lived reactive species is presented. Using FTIR, high-resolution mass spectrometry, and molecular dynamics computational simulation, covalent modifications of cysteine treated with different plasmas were deciphered and the respective product pattern used to generate a fingerprint of each plasma source. Such, our experimental model allows a fast and reliable grading of the chemical potential of plasmas used for medical purposes. Major reaction products were identified to be cysteine sulfonic acid, cystine, and cysteine fragments. Less abundant products, such as oxidized cystine derivatives or S-nitrosylated cysteines, were unique to different plasma sources or operating conditions. The data collected point at hydroxyl radicals, atomic O, and singlet oxygen as major contributing species that enable an impact on cellular thiol groups when applying cold plasma in vitro or in vivo. |
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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 |
000432275800035 |
Publication Date |
2018-05-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2045-2322 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.259 |
Times cited |
19 |
Open Access |
OpenAccess |
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Notes |
This work was supported by the German Research Foundation (DFG, grant PAK816 to V.SvdG.), the Federal German Ministry of Education and Research (grant number 03Z22DN12 to K.W. and 03Z22DN11 to S.B.), and the FWO-Flanders (grant number G012413N to A.B.). K.W. likes to thank T. von Woedtke and K.-D. Weltmann for constant support. The authors thank K. Kartaschew for fruitful discussion and G. Bruno for support during mock studies. |
Approved |
Most recent IF: 4.259 |
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Call Number |
PLASMANT @ plasmant @c:irua:151241 |
Serial |
4957 |
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Author |
Florea, A.; Cowen, T.; Piletsky, S.; De Wael, K. |
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Title |
Polymer platforms for selective detection of cocaine in street samples adulterated with levamisole |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Talanta : the international journal of pure and applied analytical chemistry |
Abbreviated Journal |
Talanta |
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Volume |
186 |
Issue |
186 |
Pages |
362-367 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Accurate drug detection is of utmost importance for fighting against drug abuse. With a high number of cutting agents and adulterants being added to cut or mask drugs in street powders the number of false results is increasing. We demonstrate for the first time the usefulness of employing polymers readily synthesized by electrodeposition to selectively detect cocaine in the presence of the commonly used adulterant levamisole. The polymers were selected by computational modelling to exhibit high binding affinity towards cocaine and deposited directly on the surface of graphene-modified electrodes via electropolymerization. The resulting platforms allowed a distinct electrochemical signal for cocaine, which is otherwise suppressed by levamisole. Square wave voltammetry was used to quantify cocaine alone and in the presence of levamisole. The usefulness of the platforms was demonstrated in the screening of real street samples. |
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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 |
000435048800049 |
Publication Date |
2018-04-25 |
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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 |
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Edition |
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ISSN |
0039-9140; 1873-3573 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.162 |
Times cited |
9 |
Open Access |
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Notes |
; This project has received funding from the European Union's Horizon 2020 Research and Innovation Programme under the Marie Sklodowska-Curie Grant Agreement no. 753223 Narcoreader. This work was also supported by IOF-SBO (UAntwerp). The authors thank Gert Nuyts for the help with SEM analyses. ; |
Approved |
Most recent IF: 4.162 |
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Call Number |
UA @ admin @ c:irua:151250 |
Serial |
5777 |
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Author |
Sathiyamoorthy, S.; Girijakumari, G.; Kannan, P.; Venugopal, K.; Thiruvottriyur Shanmugam, S.; Veluswamy, P.; De Wael, K.; Ikeda, H. |
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Title |
Tailoring the functional properties of polyurethane foam with dispersions of carbon nanofiber for power generator applications |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
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Volume |
449 |
Issue |
449 |
Pages |
507-513 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
To produce effective thermoelectric nanocomposites, carbon nanofibers (CNF) incorporated polyurethane (PU) foams with nanocomposites are prepared via in-situ polymerization method to create a synergy that would produce a high thermopower. The formation mechanism of foams, the reaction kinetics, and the physical properties such as density and water absorption studied before and after CNF incorporation. The microscopy images showed a uniform dispersion of CNF in the PU matrix of the prepared foams. Spectroscopic studies such as X-ray photoelectron and laser Raman spectroscopy suggested the existence of a tight intermolecular binding interaction between the carbon nanofibers and the PU matrix in the prepared composite foams. It found that the thermopower is directly dependent on the concentration of carbon nanofiber since, with rising concentration of 1%3%, the coefficient values increased from 1.2 μV/K to 11.9 μV/K respectively, a value higher than that of earlier report. This unique nanocomposite offers a new opportunity to recycle waste heat in portable/wearable electronics and other applications, which will broaden the development of low weight and mechanical flexibility. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000438025400064 |
Publication Date |
2018-02-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0169-4332 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.387 |
Times cited |
4 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.387 |
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Call Number |
UA @ admin @ c:irua:151287 |
Serial |
5868 |
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Author |
Claes, N.; Asapu, R.; Blommaerts, N.; Verbruggen, S.W.; Lenaerts, S.; Bals, S. |
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Title |
Characterization of silver-polymer core–shell nanoparticles using electron microscopy |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
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Volume |
10 |
Issue |
10 |
Pages |
9186-9191 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Silver-polymer core–shell nanoparticles show interesting optical properties, making them widely applicable in the field of plasmonics. The uniformity, thickness and homogeneity of the polymer shell will affect the properties of the system which makes a thorough structural characterization of these core–shell silver-polymer nanoparticles of great importance. However, visualizing the shell and the particle simultaneously is far from straightforward due to the sensitivity of the polymer shell towards the electron beam. In this study, we use different 2D and 3D electron microscopy techniques to investigate different structural aspects of the polymer coating. |
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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 |
000437007700028 |
Publication Date |
2018-04-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2040-3364 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.367 |
Times cited |
11 |
Open Access |
OpenAccess |
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Notes |
N. C. and S. B. acknowledge financial support from European Research Council (ERC Starting Grant #335078-COLOURATOMS) and from the FWO through project funding (G038116N). R. A. and S. L. acknowledge the Research Foundation Flanders (FWO) for financial support. (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); ECAS_Sara |
Approved |
Most recent IF: 7.367 |
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Call Number |
EMAT @ emat @c:irua:151290UA @ admin @ c:irua:151290 |
Serial |
4959 |
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Author |
Wang, W.; Berthelot, A.; Zhang, Q.; Bogaerts, A. |
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Title |
Modelling of plasma-based dry reforming: how do uncertainties in the input data affect the calculation results? |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
51 |
Issue |
20 |
Pages |
204003 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
One of the main issues in plasma chemistry modeling is that the cross sections and rate coefficients are subject to uncertainties, which yields uncertainties in the modeling results and hence hinders the predictive capabilities. In this paper, we reveal the impact of these uncertainties on the model predictions of plasma-based dry reforming in a dielectric barrier discharge. For this purpose, we performed a detailed uncertainty analysis and sensitivity study. 2000 different combinations of rate coefficients, based on the uncertainty from a log-normal distribution, are used to predict the uncertainties in the model output. The uncertainties in the electron density and electron temperature are around 11% and 8% at the maximum of the power deposition for a 70% confidence level. Still, this can have a major effect on the electron impact rates and hence on the calculated conversions of CO2 and CH4, as well as on the selectivities of CO and H2. For the CO2 and CH4 conversion, we obtain uncertainties of 24% and 33%, respectively. For the CO and H2 selectivity, the corresponding uncertainties are 28% and 14%, respectively. We also identify which reactions contribute most to the uncertainty in the model predictions. In order to improve the accuracy and reliability of plasma chemistry models, we recommend using only verified rate coefficients, and we point out the need for dedicated verification experiments. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000430960600003 |
Publication Date |
2018-04-25 |
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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 |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
7 |
Open Access |
OpenAccess |
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Notes |
We acknowledge financial support from the Fund for Scientific Research Flanders (FWO) (Grant No. G.0383.16N) and the TOP-BOF project of the University of Antwerp. The calculations were carried out 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. |
Approved |
Most recent IF: 2.588 |
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Call Number |
PLASMANT @ plasmant @c:irua:151292 |
Serial |
4958 |
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| Permanent link to this record |
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Author |
Tarakanov, P.A.; Tarakanova, E.N.; Dorovatovskii, P.V.; Zubavichus, Y.V.; Khrustalev, V.N.; Trashin, S.A.; De Wael, K.; Neganova, M.E.; Mischenko, D.V.; Sessler, J.L.; Stuzhin, P.A.; Pushkarev, V.E.; Tomilova, L.G. |
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Title |
Optical readout of controlled monomer-dimer self-assembly |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Journal of the Chemical Society : Dalton transactions |
Abbreviated Journal |
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Volume |
47 |
Issue |
40 |
Pages |
14169-14173 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
5,7-Substituted 1,4-diazepinoporphyrazine magnesium(II) complexes were synthesized via Mg(II)-alkoxide templated macrocyclization. A single crystal growth synchrotron diffraction analysis permitted what is to our knowledge the first structural characterization of a 1,4-diazepinoporphyrazine. It exists as a dimer in the solid state. In silico calculations supported by solution phase spectral studies involving a series of representative derivatives, provided insights into the factors governing dimerization of 1,4-diazepinoporphyrazines. The present 1,4-diazepinoporphyrazines serve as useful probes for understanding the determinants that guide dimermonomer equilibria and the self-assembly of phthalocyanine derivatives. |
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Wos |
000447708900005 |
Publication Date |
2018-04-10 |
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ISSN |
0300-9246; 1477-9226; 1472-7773 |
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 |
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Notes |
; We thank Dr Alexander V. Chernyak for recording the NMR spectra. Synthetic and optical spectroscopic studies in this work were supported by the RSF (Grant 17-73-10413). NMR studies were supported by the Council under the President of the Russian Federation for State Support of Young Scientists and Leading Scientific Schools (Grant MD-2991.2017.3). SR-XRD studies were supported by the RUDN University Program “5-100”. We also acknowledge support of electrochemical, in vitro and in vivo studies by the State Assignment (Theme 45.5 Creation of compounds with given physicochemical properties) and the facilities provided by the Center of Collective Use of IPAC RAS (Chernogolovka, Russia). Single-crystal X-ray measurements have been performed at the unique scientific facility Kurchatov Synchrotron Radiation Source supported by the Ministry of Education and Science of the Russian Federation (project code RFMEFI61917X0007). ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:151294 |
Serial |
5755 |
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Author |
Bekaert, J. |
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Title |
Ab initio description of multicomponent superconductivity in bulk to atomically thin materials |
Type |
Doctoral thesis |
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Year |
2018 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
290 p. |
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Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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UA library record |
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Open Access |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:151304 |
Serial |
5192 |
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Author |
De Jong, M.; Florea, A.; Eliaerts, J.; Van Durme, F.; Samyn, N.; De Wael, K. |
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Title |
Tackling poor specificity of cocaine color tests by electrochemical strategies |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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Volume |
90 |
Issue |
11 |
Pages |
6811-6819 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
This paper presents electrochemical strategies for the fast screening of cocaine and most common cutting agents found in seized drug samples. First, a study on the performance of Scott color tests on cocaine and a wide range of cutting agents is described. The cutting agents causing false positive or false negative results when in mixture with cocaine are identified. To overcome the lack of specificity of color tests, we further propose a fast screening strategy by means of square wave voltammetry on disposable graphite screen printed electrodes, which reveals the unique fingerprint of cocaine and cutting agents. By employing a forward and backward scan and by a dual pH strategy, we enrich the electrochemical fingerprint and enable the simultaneous detection of cocaine and cutting agents. The effectiveness of the developed strategies was tested for the detection of cocaine in seized cocaine samples and compared with the color tests. Moreover, we prove the usefulness of square wave voltammetry for predicting possible interfering agents in color tests, based on the reduction peak of cobalt thiocyanate. The developed electrochemical strategies allow for a quick screening of seized cocaine samples resulting in a selective identification of drugs and cutting agents. |
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Wos |
000434893200066 |
Publication Date |
2018-05-09 |
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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 |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.32 |
Times cited |
7 |
Open Access |
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Notes |
; This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 753223 Narcoreader. This work was also supported by Grants BR/314 /PI/APTADRU and IOF-SBO. ; |
Approved |
Most recent IF: 6.32 |
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Call Number |
UA @ admin @ c:irua:151316 |
Serial |
5867 |
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Author |
Zhang, H.; Wang, W.; Li, X.; Han, L.; Yan, M.; Zhong, Y.; Tu, X. |
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Title |
Plasma activation of methane for hydrogen production in a N2 rotating gliding arc warm plasma : a chemical kinetics study |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
345 |
Issue |
345 |
Pages |
67-78 |
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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 work, a chemical kinetics study on methane activation for hydrogen production in a warm plasma, i.e., N-2 rotating gliding arc (RGA), was performed for the first time to get new insights into the underlying reaction mechanisms and pathways. A zero-dimensional chemical kinetics model was developed, which showed a good agreement with the experimental results in terms of the conversion of CH4 and product selectivities, allowing us to get a better understanding of the relative significance of various important species and their related reactions to the formation and loss of CH4, H-2, and C2H2 etc. An overall reaction scheme was obtained to provide a realistic picture of the plasma chemistry. The results reveal that the electrons and excited nitrogen species (mainly N-2(A)) play a dominant role in the initial dissociation of CH4. However, the H atom induced reaction CH4+ H -> CH3+ H-2, which has an enhanced reaction rate due to the high gas temperature (over 1200 K), is the major contributor to both the conversion of CH4 and H-2 production, with its relative contributions of > 90% and > 85%, respectively, when only considering the forward reactions. The coexistence and interaction of thermochemical and plasma chemical processes in the rotating gliding arc warm plasma significantly enhance the process performance. The formation of C-2 hydrocarbons follows a nearly one-way path of C2H6 -> C2H4 -> C2H2, explaining why the selectivities of C-2 products decreased in the order of C2H2 > C2H4 > C2H6. |
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Publisher |
Elsevier Sequoia |
Place of Publication |
Lausanne |
Editor |
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Wos |
000430696500008 |
Publication Date |
2018-03-24 |
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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 |
1385-8947; 1873-3212 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.216 |
Times cited |
25 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 6.216 |
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Call Number |
UA @ lucian @ c:irua:151450 |
Serial |
5036 |
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Author |
Aierken, Y.; Sevik, C.; Gulseren, O.; Peeters, F.M.; Çakir, D. |
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Title |
In pursuit of barrierless transition metal dichalcogenides lateral heterojunctions |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
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Volume |
29 |
Issue |
29 |
Pages |
295202 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
There is an increasing need to understand interfaces between two-dimensional materials to realize an energy efficient boundary with low contact resistance and small heat dissipation. In this respect, we investigated the impact of charge and substitutional atom doping on the electronic transport properties of the hybrid metallic-semiconducting lateral junctions, formed between metallic (1T and 1T(d)) and semiconducting (1H) phases of MoS2 by means of first-principles and non-equilibrium Green function formalism based calculations. Our results clearly revealed the strong influence of the type of interface and crystallographic orientation of the metallic phase on the transport properties of these systems. The Schottky barrier height, which is the dominant mechanism for contact resistance, was found to be as large as 0.63 eV and 1.19 eV for holes and electrons, respectively. We found that armchair interfaces are more conductive as compared to zigzag termination due to the presence of the metallic Mo zigzag chains that are directed along the transport direction. In order to manipulate these barrier heights we investigated the influence of electron doping of the metallic part (i.e. 1T(d) -MoS2). We observed that the Fermi level of the hybrid system moves towards the conduction band of semiconducting 1H-MoS2 due to filling of 4d-orbital of metallic MoS2, and thus the Schottky barrier for electrons decreases considerably. Besides electron doping, we also investigated the effect of substitutional doping of metallic MoS2 by replacing Mo atoms with either Re or Ta. Due to its valency, Re (Ta) behaves as a donor (acceptor) and reduces the Schottky barrier for electrons (holes). Since Re and Ta based transition metal dichalcogenides crystallize in either the 1T(d) or 1T phase, substitutional doping with these atom favors the stabilization of the 1T(d) phase of MoS2. Co-doping of hybrid structure results in an electronic structure, which facilities easy dissociation of excitons created in the 1H part. |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000432823800002 |
Publication Date |
2018-05-01 |
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Series Editor |
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Abbreviated Series Title |
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Edition |
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ISSN |
0957-4484 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.44 |
Times cited |
4 |
Open Access |
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Notes |
; This work was supported by the bilateral project between the The Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-VI) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. We acknowledge the support from TUBITAK (Grant No. 115F024). ; |
Approved |
Most recent IF: 3.44 |
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Call Number |
UA @ lucian @ c:irua:151451UA @ admin @ c:irua:151451 |
Serial |
5029 |
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Author |
Grieb, T.; Krause, F.F.; Schowalter, M.; Zillmann, D.; Sellin, R.; Müller-Caspary, K.; Mahr, C.; Mehrtens, T.; Bimberg, D.; Rosenauer, A. |
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Title |
Strain analysis from nano-beam electron diffraction : influence of specimen tilt and beam convergence |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
190 |
Issue |
190 |
Pages |
45-57 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Strain analyses from experimental series of nano-beam electron diffraction (NBED) patterns in scanning transmission electron microscopy are performed for different specimen tilts. Simulations of NBED series are presented for which strain analysis gives results that are in accordance with experiment. This consequently allows to study the relation between measured strain and actual underlying strain. A two-tilt method which can be seen as lowest-order electron beam precession is suggested and experimentally implemented. Strain determination from NBED series with increasing beam convergence is performed in combination with the experimental realization of a probe-forming aperture with a cross inside. It is shown that using standard evaluation techniques, the influence of beam convergence on spatial resolution is lower than the influence of sharp rings around the diffraction disc which occur at interfaces and which are caused by the tails of the intensity distribution of the electron probe. (C) 2018 Elsevier B.V. All rights reserved. |
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Place of Publication |
Amsterdam |
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Wos |
000432868800006 |
Publication Date |
2018-04-12 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
0304-3991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
1 |
Open Access |
OpenAccess |
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Notes |
; This work was supported by the German Research Foundation (DFG) under Contracts RO2057/11-1 and RO2057/12-1. ; |
Approved |
Most recent IF: 2.843 |
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Call Number |
UA @ lucian @ c:irua:151454 |
Serial |
5041 |
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Author |
Simchi, H.; Simchi, M.; Fardmanesh, M.; Peeters, F.M. |
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Title |
Phase transition and field effect topological quantum transistor made of monolayer MoS2 |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
30 |
Issue |
23 |
Pages |
235303 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We study topological phase transitions and topological quantum field effect transistor in monolayer molybdenum disulfide (MoS2) using a two-band Hamiltonian model. Without considering the quadratic (q(2)) diagonal term in the Hamiltonian, we show that the phase diagram includes quantum anomalous Hall effect, quantum spin Hall effect, and spin quantum anomalous Hall effect regions such that the topological Kirchhoff law is satisfied in the plane. By considering the q(2) diagonal term and including one valley, it is shown that MoS2 has a non-trivial topology, and the valley Chern number is non-zero for each spin. We show that the wave function is (is not) localized at the edges when the q(2) diagonal term is added (deleted) to (from) the spin-valley Dirac mass equation. We calculate the quantum conductance of zigzag MoS2 nanoribbons by using the nonequilibrium Green function method and show how this device works as a field effect topological quantum transistor. |
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Place of Publication |
London |
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Wos |
000432821600001 |
Publication Date |
2018-04-26 |
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Edition |
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ISSN |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
2 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 2.649 |
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Call Number |
UA @ lucian @ c:irua:151457UA @ admin @ c:irua:151457 |
Serial |
5035 |
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Author |
Korneychuk, S.; Partoens, B.; Guzzinati, G.; Ramaneti, R.; Derluyn, J.; Haenen, K.; Verbeeck, J. |
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Title |
Exploring possibilities of band gap measurement with off-axis EELS in TEM |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
189 |
Issue |
189 |
Pages |
76-84 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
A technique to measure the band gap of dielectric materials with high refractive index by means of energy electron loss spectroscopy (EELS) is presented. The technique relies on the use of a circular (Bessel) aperture and suppresses Cherenkov losses and surface-guided light modes by enforcing a momentum transfer selection. The technique also strongly suppresses the elastic zero loss peak, making the acquisition, interpretation and signal to noise ratio of low loss spectra considerably better, especially for excitations in the first few eV of the EELS spectrum. Simulations of the low loss inelastic electron scattering probabilities demonstrate the beneficial influence of the Bessel aperture in this setup even for high accelerating voltages. The importance of selecting the optimal experimental convergence and collection angles is highlighted. The effect of the created off-axis acquisition conditions on the selection of the transitions from valence to conduction bands is discussed in detail on a simplified isotropic two band model. This opens the opportunity for deliberately selecting certain transitions by carefully tuning the microscope parameters. The suggested approach is experimentally demonstrated and provides good signal to noise ratio and interpretable band gap signals on reference samples of diamond, GaN and AlN while offering spatial resolution in the nm range. (C) 2018 Elsevier B.V. All rights reserved. |
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Place of Publication |
Amsterdam |
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Wos |
000432868500008 |
Publication Date |
2018-03-29 |
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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 |
0304-3991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
7 |
Open Access |
OpenAccess |
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Notes |
; S.K., B.P. and J.V. acknowledge funding from the “Geconcentreerde Onderzoekacties” (GOA) project “Solarpaint” of the University of Antwerp. S.K. and J.V. also acknowledge the FWO-Vlaanderen for financial support under contract G.0044.13N 'Charge ordering'. Financial support via the Methusalem “NANO” network is acknowledged. GG acknowledges support from a postdoctoral fellowship grant from the Fonds Wetenschappelijk Onderzoek-Vlaanderen (FWO). ; |
Approved |
Most recent IF: 2.843 |
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Call Number |
UA @ lucian @ c:irua:151472UA @ admin @ c:irua:151472 |
Serial |
5026 |
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Author |
Nematollahi, P.; Esrafili, M.D.; Neyts, E.C. |
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Title |
The role of healed N-vacancy defective BC2N sheet and nanotube by NO molecule in oxidation of NO and CO gas molecules |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Surface science : a journal devoted to the physics and chemistry of interfaces |
Abbreviated Journal |
Surf Sci |
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Volume |
672-673 |
Issue |
672-673 |
Pages |
39-46 |
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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 study, the healing of N-vacancy boron carbonitride nanosheet (NV-BC2NNS) and nanotube (NV-BC2NNT) by NO molecule is studied by means of density functional theory calculations. Two different N-vacancies are considered in each of these structures in which the vacancy site is surrounded by either three B-atoms (NB) or by two B- and one C-atom (NBC). By means of the healed BC2NNS and BC2NNT as a support, the removal of two toxic gas molecules (NO and CO) are applicable. It should be noted that the obtained energy barriers of both healing and oxidizing processes are significantly lower than those of graphene, carbon nanotubes or boron nitride nanostructures. Also, at the end of the oxidation process, the pure BC2NNS or BC2NNT is obtained without any additional defects. Therefore, by using this method, we can considerably purify the defective BC2NNS/BC2NNT. Moreover, according to the thermochemistry calculations we can further confirm that the healing process of the NV-BC2NNS and NV-BC2NNT by NO are feasible at room temperature. So, we can claim that this study could be very helpful in both purifying the defective BC2NNS/BC2NNT while in the same effort removing toxic NO and CO gases. |
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Place of Publication |
Amsterdam |
Editor |
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Wos |
000432614700007 |
Publication Date |
2018-03-08 |
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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 |
0039-6028 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.062 |
Times cited |
1 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.062 |
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Call Number |
UA @ lucian @ c:irua:151478 |
Serial |
5044 |
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Author |
de de Meux, A.J.; Pourtois, G.; Genoe, J.; Heremans, P. |
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Title |
Defects in amorphous semiconductors : the case of amorphous indium gallium zinc oxide |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review applied |
Abbreviated Journal |
Phys Rev Appl |
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Volume |
9 |
Issue |
9 |
Pages |
054039 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Based on a rational classification of defects in amorphous materials, we propose a simplified model to describe intrinsic defects and hydrogen impurities in amorphous indium gallium zinc oxide (a-IGZO). The proposed approach consists of organizing defects into two categories: point defects, generating structural anomalies such as metal-metal or oxygen-oxygen bonds, and defects emerging from changes in the material stoichiometry, such as vacancies and interstitial atoms. Based on first-principles simulations, it is argued that the defects originating from the second group always act as perfect donors or perfect acceptors. This classification simplifies and rationalizes the nature of defects in amorphous phases. In a-IGZO, the most important point defects are metal-metal bonds (or small metal clusters) and peroxides (O-O single bonds). Electrons are captured by metal-metal bonds and released by the formation of peroxides. The presence of hydrogen can lead to two additional types of defects: metal-hydrogen defects, acting as acceptors, and oxygen-hydrogen defects, acting as donors. The impact of these defects is linked to different instabilities observed in a-IGZO. Specifically, the diffusion of hydrogen and oxygen is connected to positive-and negative-bias stresses, while negative-bias illumination stress originates from the formation of peroxides. |
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Publisher |
American Physical Society |
Place of Publication |
College Park, Md |
Editor |
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Language |
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Wos |
000433070900003 |
Publication Date |
2018-05-25 |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2331-7019 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.808 |
Times cited |
7 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.808 |
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Call Number |
UA @ lucian @ c:irua:151497 |
Serial |
5019 |
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Author |
Zhang, S.-H.; Yang, W.; Peeters, F.M. |
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Title |
Veselago focusing of anisotropic massless Dirac fermions |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
97 |
Issue |
20 |
Pages |
205437 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Massless Dirac fermions (MDFs) emerge as quasiparticles in various novel materials such as graphene and topological insulators, and they exhibit several intriguing properties, of which Veselago focusing is an outstanding example with a lot of possible applications. However, up to now Veselago focusing merely occurred in p-n junction devices based on the isotropic MDF, which lacks the tunability needed for realistic applications. Here, motivated by the emergence of novel Dirac materials, we investigate the propagation behaviors of anisotropic MDFs in such a p-n junction structure. By projecting the Hamiltonian of the anisotropic MDF to that of the isotropic MDF and deriving an exact analytical expression for the propagator, precise Veselago focusing is demonstrated without the need for mirror symmetry of the electron source and its focusing image. We show a tunable focusing position that can be used in a device to probe masked atom-scale defects. This study provides an innovative concept to realize Veselago focusing relevant for potential applications, and it paves the way for the design of novel electron optics devices by exploiting the anisotropic MDF. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000433026700005 |
Publication Date |
2018-05-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
9 |
Open Access |
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Notes |
; This work was supported by the National Key R&D Program of China (Grant No. 2017YFA0303400), the NSFC (Grants No. 11504018 and No. 11774021), the MOST of China (Grant No. 2014CB848700), and the NSFC program for “Scientific Research Center” (Grant No. U1530401). Support by the bilateral project (FWO-MOST) is gratefully acknowledged. S.H.Z. is also supported by “the Fundamental Research Funds for the Central Universities (ZY1824).” We acknowledge the computational support from the Beijing Computational Science Research Center (CSRC). ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:151501UA @ admin @ c:irua:151501 |
Serial |
5047 |
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| Permanent link to this record |
