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Author  |
Fang, C.M.; van Huis, M.A.; Thijsse, B.J.; Zandbergen, H.W. |
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Title |
Stability and crystal structures of iron carbides : a comparison between the semi-empirical modified embedded atom method and quantum-mechanical DFT calculations |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
85 |
Issue |
5 |
Pages |
054116-054116,7 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Iron carbides play a crucial role in steel manufacturing and processing and to a large extent determine the physical properties of steel products. The modified embedded atom method (MEAM) in combination with Lee's Fe-C potential is a good candidate for molecular dynamics simulations on larger Fe-C systems. Here, we investigate the stability and crystal structures of pure iron and binary iron carbides using MEAM and compare them with the experimental data and quantum-mechanical density functional theory calculations. The analysis shows that the Fe-C potential gives reasonable results for the relative stability of iron and iron carbides. The performance of MEAM for the prediction of the potential energy and the calculated lattice parameters at elevated temperature for pure iron phases and cementite are investigated as well. The conclusion is that Lee's MEAM Fe-C potential provides a promising basis for further molecular dynamics simulations of Fe-C alloys and steels at lower temperatures (up to 800 K). |
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Wos |
000300931900004 |
Publication Date |
2012-02-29 |
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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 |
1098-0121;1550-235X; |
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 |
18 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
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Call Number |
UA @ lucian @ c:irua:97201 |
Serial |
3117 |
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Author |
Fang, C.M.; van Huis, M.A.; Jansen, J.; Zandbergen, H.W. |
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Title |
Role of carbon and nitrogen in Fe2C and Fe2N from first-principles calculations |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
84 |
Issue |
9 |
Pages |
094102-094102,10 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Although Fe2C and Fe2N are technologically important materials, the exact nature of the chemical bonding of C and N atoms and the related impact on the electronic properties are at present unclear. Here, results of first-principles electronic structure calculations for Fe2X (X = C, N) phases are presented. The electronic structure calculations show that the roles of N and C in iron nitrides and carbides are comparable, and that the X-X interactions have significant impact on electronic properties. Accurate analysis of the spatially resolved differences in electron densities reveals a subtle distinction between the chemical bonding and charge transfer of N and C ions. |
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Wos |
000294772800003 |
Publication Date |
2011-09-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
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 |
24 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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Call Number |
UA @ lucian @ c:irua:92327 |
Serial |
2912 |
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Author |
Fang, C.M.; Sluiter, M.H.F.; van Huis, M.; Ande, C.K.; Zandbergen, H.W. |
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Title |
Origin of predominance of cementite among iron carbides in steel at elevated temperature |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
105 |
Issue |
5 |
Pages |
4 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A long-standing challenge in physics is to understand why cementite is the predominant carbide in steel. Here we show that the prevalent formation of cementite can be explained only by considering its stability at elevated temperature. A systematic highly accurate quantum mechanical study was conducted on the stability of binary iron carbides. The calculations show that all the iron carbides are unstable relative to the elemental solids, -Fe and graphite. Apart from a cubic Fe23C6 phase, the energetically most favorable carbides exhibit hexagonal close-packed Fe sublattices. Finite-temperature analysis showed that contributions from lattice vibration and anomalous Curie-Weis magnetic ordering, rather than from the conventional lattice mismatch with the matrix, are the origin of the predominance of cementite during steel fabrication processes. |
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Place of Publication |
New York, N.Y. |
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Wos |
000280472900008 |
Publication Date |
2010-07-30 |
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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 |
0031-9007;1079-7114; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.462 |
Times cited |
65 |
Open Access |
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Notes |
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Approved |
Most recent IF: 8.462; 2010 IF: 7.622 |
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Call Number |
UA @ lucian @ c:irua:84064 |
Serial |
2526 |
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Author |
Fang, C.; Verbrigghe, N.; Sigurdsson, B.D.D.; Ostonen, I.; Leblans, N.I.W.; Maranon-Jimenez, S.; Fuchslueger, L.; Sigurosson, P.; Meeran, K.; Portillo-Estrada, M.; Verbruggen, E.; Richter, A.; Sardans, J.; Penuelas, J.; Bahn, M.; Vicca, S.; Janssens, I.A. |
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Title |
Decadal soil warming decreased vascular plant above and belowground production in a subarctic grassland by inducing nitrogen limitation |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
New phytologist |
Abbreviated Journal |
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Volume |
240 |
Issue |
2 |
Pages |
565-576 |
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Keywords |
A1 Journal article; Plant and Ecosystems (PLECO) – Ecology in a time of change |
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Abstract |
Below and aboveground vegetation dynamics are crucial in understanding how climate warming may affect terrestrial ecosystem carbon cycling. In contrast to aboveground biomass, the response of belowground biomass to long-term warming has been poorly studied. Here, we characterized the impacts of decadal geothermal warming at two levels (on average +3.3 degrees C and +7.9 degrees C) on below and aboveground plant biomass stocks and production in a subarctic grassland. Soil warming did not change standing root biomass and even decreased fine root production and reduced aboveground biomass and production. Decadal soil warming also did not significantly alter the root-shoot ratio. The linear stepwise regression model suggested that following 10 yr of soil warming, temperature was no longer the direct driver of these responses, but losses of soil N were. Soil N losses, due to warming-induced decreases in organic matter and water retention capacity, were identified as key driver of the decreased above and belowground production. The reduction in fine root production was accompanied by thinner roots with increased specific root area. These results indicate that after a decade of soil warming, plant productivity in the studied subarctic grassland was affected by soil warming mainly by the reduction in soil N. |
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Wos |
001043561400001 |
Publication Date |
2023-08-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0028-646x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.4 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 9.4; 2023 IF: 7.33 |
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Call Number |
UA @ admin @ c:irua:198443 |
Serial |
9199 |
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Author |
Falkenberg, G.; Fleissner, G.E.; Fleissner, G.U.E.; Schuchardt, K.; Kühbacher, M.; Chalmin, E.; Janssens, K. |
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Title |
High resolution micro-XRF maps of iron oxides inside sensory dendrites of putative avian magnetoreceptors |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Journal of physics : conference series |
Abbreviated Journal |
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Volume |
186 |
Issue |
1 |
Pages |
012084-3 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Iron mineral containing sensory dendrites in the inner lining of the upper beak of homing pigeons [1] and various bird species [2] are the first candidate structures for an avian magnetic field receptor. A new concept of magnetoreception [3, 4] is based on detailed ultra-structural optical and electron microscopy analyses in combination with synchrotron radiation microscopic X-ray fluorescence analysis (micro-XRF) and microscopic X-ray absorption near edge structures (micro-XANES). Several behavioral experiments [5, 6] and first mathematical simulations [6] affirm our avian magnetoreceptor model. The iron minerals inside the dendrites are housed in three different subcellular compartments (bullets, platelets, vesicles), which could be clearly resolved and identified by electron microscopy on ultrathin sections [1, 3]. Micro-XRF and micro-XANES data obtained at HASYLAB beamline L added information about the elemental distribution and Fe speciation [3], but are averaged over the complete dendrite due to limited spatial resolution. Here we present recently performed micro-XRF maps with sub-micrometer resolution (ESRF ID21), which reveal for the first time subcellular structural information from almost bulk-like dendrite sample material. Due to the thickness of 30 μm the microarchitecture of the dendrites can be considered as undisturbed and artefacts introduced by sectioning might be widely reduced. |
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Wos |
000282023900084 |
Publication Date |
2009-09-26 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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 |
2 |
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:111317 |
Serial |
5642 |
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Author |
Facetti, J.; Dekov, V.M.; Van Grieken, R. |
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Title |
Heavy metals in sediments from the Paraguay river: a preliminary study |
Type |
A1 Journal article |
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Year |
1998 |
Publication |
The science of the total environment |
Abbreviated Journal |
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Volume |
209 |
Issue |
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Pages |
79-86 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Wos |
000072368900008 |
Publication Date |
2002-07-26 |
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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 |
0048-9697; 1879-1026 |
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:20961 |
Serial |
8025 |
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Author |
Fabri, C.; Tsagris, M.; Moretti, M.; Van Passel, S. |
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Title |
Adaptation to climate change : the irrigation technology mix of Italian farmers |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Applied economic perspectives and policy |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-22 |
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Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
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Abstract |
Farmers should increasingly adopt more water‐efficient irrigation technologies—such as drip irrigation—as a result of climate warming and aggravating water scarcity. We analyze how Italian farmers adapt to climate change by changing their irrigation technology mix. We apply a two‐stage econometric model to data from 5876 Italian farms. We find that farmers' initial reaction to increasing temperatures is reducing their surface‐irrigated fractions. When temperatures increase further, farmers switch toward more sprinkler irrigation. Our results show that farmers are not autonomously moving to drip irrigation in response to climate change, suggesting that government incentives are needed to encourage this transition. |
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Wos |
001125360800001 |
Publication Date |
2023-12-16 |
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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 |
2040-5790 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
5.8 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 5.8; 2023 IF: 1.361 |
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Call Number |
UA @ admin @ c:irua:201688 |
Serial |
9184 |
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Author |
Fabri, C.; Moretti, M.; Van Passel, S. |
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Title |
On the (ir)relevance of heatwaves in climate change impacts on European agriculture |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Climatic Change |
Abbreviated Journal |
Climatic Change |
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Volume |
174 |
Issue |
1-2 |
Pages |
16-20 |
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Keywords |
A1 Journal article; Engineering Management (ENM) |
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Abstract |
The Ricardian model is a widely used approach based on cross-sectional regression analysis to estimate climate change impacts on agricultural productivity. Up until now, researchers have focused on the impacts of gradual changes in temperature and precipitation, even though climate change is known to encompass also changes in the severity and frequency of extreme weather events. This research investigates the impact of heatwaves on European agriculture, additional to the impact of average climate change. Using a dataset of more than 60,000 European farms, the study examines whether adding a measure for heatwaves to the Ricardian model influences its results. We find that heatwaves have a minor impact on agricultural productivity and that this impact is moderated by average temperature. In colder regions, farm productivity increases with the number of heatwave days. For warmer regions, land values decrease with heatwave frequency. Despite the moderating effect, the marginal effect of heatwave frequency, i.e. the percentage change in agricultural land values caused by one more heatwave day per year, is small in comparison to the effect of average temperature increases. Non-marginal effects are found to be relevant, but only in the case of increased heatwave frequency. According to our results, farms are not expected to suffer more from extreme weather than from mean climate change, as was claimed by several previous studies. |
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Corporate Author |
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Thesis |
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Language |
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Wos |
000861873100002 |
Publication Date |
2022-09-29 |
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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 |
0165-0009; 1573-1480 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
4.8 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.8 |
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Call Number |
UA @ admin @ c:irua:191483 |
Serial |
7364 |
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Author |
Eyckmans, K.; Zhang, J.; de Hoog, J.; Joos, P.; Van Grieken, R. |
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Title |
Leaching of nutrients and trace metals from aerosol samples: a comparison between a re-circulation and an ultrasound system |
Type |
A1 Journal article |
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Year |
2001 |
Publication |
International journal of environmental analytical chemistry |
Abbreviated Journal |
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Volume |
80 |
Issue |
3 |
Pages |
227-243 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Corporate Author |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000172385700006 |
Publication Date |
2007-07-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0306-7319 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:36087 |
Serial |
8167 |
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Author |
Eyckmans, K.; de Hoog, J.; van der Auwera, L.; Van Grieken, R. |
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Title |
Speciation of aerosols by combining bulk ion chromatography and thin-window electron probe micro analysis |
Type |
A1 Journal article |
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Year |
2003 |
Publication |
International journal of environmental analytical chemistry |
Abbreviated Journal |
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Volume |
83 |
Issue |
9 |
Pages |
777-786 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Place of Publication |
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Language |
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Wos |
000184457600006 |
Publication Date |
2004-05-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0306-7319 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:43556 |
Serial |
8571 |
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Author |
Evers, W.H.; Goris, B.; Bals, S.; Casavola, M.; de Graaf, J.; van Roij, R.; Dijkstra, M.; Vanmaekelbergh, D. |
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Title |
Low-dimensional semiconductor superlattices formed by geometric control over nanocrystal attachment |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
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Volume |
13 |
Issue |
6 |
Pages |
2317-2323 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Oriented attachment, the process in which nanometer-sized crystals fuse by atomic bonding of specific crystal facets, is expected to be more difficult to control than nanocrystal self-assembly that is driven by entropic factors or weak van der Waals attractions. Here, we present a study of oriented attachment of PbSe nanocrystals that counteract this tuition. The reaction was studied in a thin film of the suspension casted on an immiscible liquid at a given temperature. We report that attachment can be controlled such that it occurs with one type of facets exclusively. By control of the temperature and particle concentration we obtain one- or two-dimensional PbSe single crystals, the latter with a honeycomb or square superimposed periodicity in the nanometer range. We demonstrate the ability to convert these PbSe superstructures into other semiconductor compounds with the preservation of crystallinity and geometry. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington |
Editor |
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Language |
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Wos |
000320485100001 |
Publication Date |
2012-10-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1530-6984;1530-6992; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.712 |
Times cited |
206 |
Open Access |
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Notes |
262348 ESMI; Hercules 3 |
Approved |
Most recent IF: 12.712; 2013 IF: 12.940 |
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Call Number |
UA @ lucian @ c:irua:101777 |
Serial |
1847 |
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| Permanent link to this record |
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Author |
Even, A.; ten Brink, H.M.; Khlystov, A.; Smekens, A.; Berghmans, P.; Van Grieken, R. |
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Title |
The influence of black carbon on the crystallization point of salt aerosol |
Type |
A1 Journal article |
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Year |
2000 |
Publication |
Journal of aerosol science |
Abbreviated Journal |
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Volume |
31 |
Issue |
S1 |
Pages |
336-337 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Place of Publication |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
|
| |
ISSN |
0021-8502; 1879-1964 |
ISBN |
|
Additional Links |
UA library record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
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Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:31636 |
Serial |
8088 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Evans, T.; Kiflawi, I.; Luyten, W.; Van Tendeloo, G.; Woods, G.S. |
|
| |
Title |
Conversion of platelets into dislocation loops and voidite formation in type IaB diamonds |
Type |
A1 Journal article |
| |
Year |
1995 |
Publication |
Proceedings of the Royal Society of London: series A: mathematical and physical sciences |
Abbreviated Journal |
P Roy Soc A-Math Phy |
|
| |
Volume |
449 |
Issue |
|
Pages |
295-313 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
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Place of Publication |
London |
Editor |
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| |
Language |
|
Wos |
A1995QY10100007 |
Publication Date |
2006-12-18 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1364-5021;1471-2946; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.192 |
Times cited |
32 |
Open Access |
|
|
| |
Notes |
|
Approved |
COMPUTER SCIENCE, INTERDISCIPLINARY 11/104 Q1 # PHYSICS, MATHEMATICAL 1/53 Q1 # |
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| |
Call Number |
UA @ lucian @ c:irua:13314 |
Serial |
513 |
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| Permanent link to this record |
| |
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| |
|
Author |
Evangelista, H.; Maldonado, J.; Godoi, R.H.M.; Pereira, E.B.; Koch, D.; Tanizaki-Fonseca, K.; Van Grieken, R.; Sampaio, M.; Setzer, A.; Alencar, A.; Gonçalves, S.C. |
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| |
Title |
Sources and transport of urban and biomass burning aerosol black carbon at the South-West Atlantic coast |
Type |
A1 Journal article |
| |
Year |
2007 |
Publication |
Journal of atmospheric chemistry |
Abbreviated Journal |
|
|
| |
Volume |
56 |
Issue |
3 |
Pages |
225-238 |
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| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
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| |
Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
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Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
000245105900002 |
Publication Date |
2007-01-02 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0167-7764 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:63841 |
Serial |
8561 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Evangelista, H.; Maldonado, J.; dos Santos, E.A.; Godoi, R.H.M.; Garcia, C.A.E.; Garcia, V.M.T.; Johnson, E.; da Cunha, K.D.; Leite, C.B.; Van Grieken, R.; van Meel, K.; Makarovska, Y.; Gaiero, D.M. |
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| |
Title |
Inferring episodic atmospheric iron fluxes in the Western South Atlantic |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Atmospheric environment : an international journal |
Abbreviated Journal |
|
|
| |
Volume |
44 |
Issue |
5 |
Pages |
703-712 |
|
| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
| |
Abstract |
Iron (Fe) and other trace elements such as Zn, Mn, Ni and Cu are known as key-factors in marine biogeochemical cycles. It is believed that ocean primary productivity blooms in iron deficient regions can be triggered by iron in aeolian dust. Up to now, scarce aerosol elemental composition, based on measurements over sea at the Western South Atlantic (WSA), exist. An association between the Patagonian semi-desert dust/Fe and chlorophyll-a variability at the Argentinean continental shelf is essentially inferred from models. We present here experimental data of Fe enriched aerosols over the WSA between latitudes 22°S62°S, during 4 oceanographic campaigns between 2002 and 2005. These data allowed inferring the atmospheric Fe flux onto different latitudinal bands which varied from 30.4 to 1688 nmolFe m−2 day−1 (October 29thNovember 15th, 2003); 5.831586 nmolFe m−2 day−1 (February 15thMarch 6th, 2004) and 4.73586 nmolFe m−2 day−1(October 21stNovember 5th, 2005). |
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| |
Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
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|
| |
Language |
|
Wos |
000274931800012 |
Publication Date |
2009-11-19 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1352-2310 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:80695 |
Serial |
8086 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Euán-Díaz, E.C.; Misko, V.R.; Peeters, F.M.; Herrera-Velarde, S.; Castaneda-Priego, R. |
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| |
Title |
Single-file diffusion in periodic energy landscapes : the role of hydrodynamic interactions |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
|
| |
Volume |
86 |
Issue |
3Part 1 |
Pages |
031123 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We report on the dynamical properties of interacting colloids confined to one dimension and subjected to external periodic energy landscapes. We particularly focus on the influence of hydrodynamic interactions on the mean-square displacement. Using Brownian dynamics simulations, we study colloidal systems with two types of repulsive interparticle interactions, namely, Yukawa and superparamagnetic potentials. We find that in the homogeneous case, hydrodynamic interactions lead to an enhancement of the particle mobility and the mean-square displacement at long times scales as t(alpha), with alpha = 1/2 + epsilon and epsilon being a small correction. This correction, however, becomes much more important in the presence of an external field, which breaks the homogeneity of the particle distribution along the line and, therefore, promotes a richer dynamical scenario due to the hydrodynamical coupling among particles. We provide here the complete dynamical scenario in terms of the external potential parameters: amplitude and commensurability. |
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| |
Address |
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| |
Corporate Author |
|
Thesis |
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|
| |
Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
|
|
| |
Language |
|
Wos |
000308873500002 |
Publication Date |
2012-09-21 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.366 |
Times cited |
14 |
Open Access |
|
|
| |
Notes |
; This work was partially supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), and PIFI 3.4-PROMEP and CONACyT (Grant Nos. 61418/2007 and 102339/2008, Ph.D. Scholarship No. 230171/ 2010). ; |
Approved |
Most recent IF: 2.366; 2012 IF: 2.313 |
|
| |
Call Number |
UA @ lucian @ c:irua:101840 |
Serial |
3021 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Euan-Diaz, E.; Herrera-Velarde, S.; Misko, V.R.; Peeters, F.M.; Castaneda-Priego, R. |
|
| |
Title |
Structural transitions and long-time self-diffusion of interacting colloids confined by a parabolic potential |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
|
| |
Volume |
142 |
Issue |
142 |
Pages |
024902 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We report on the ordering and dynamics of interacting colloidal particles confined by a parabolic potential. By means of Brownian dynamics simulations, we find that by varying the magnitude of the trap stiffness, it is possible to control the dimension of the system and, thus, explore both the structural transitions and the long-time self-diffusion coefficient as a function of the degree of confinement. We particularly study the structural ordering in the directions perpendicular and parallel to the confinement. Further analysis of the local distribution of the first-neighbors layer allows us to identify the different structural phases induced by the parabolic potential. These results are summarized in a structural state diagram that describes the way in which the colloidal suspension undergoes a structural re-ordering while increasing the confinement. To fully understand the particle dynamics, we take into account hydrodynamic interactions between colloids; the parabolic potential constricts the available space for the colloids, but it does not act on the solvent. Our findings show a non-linear behavior of the long-time self-diffusion coefficient that is associated to the structural transitions induced by the external field. (C) 2015 AIP Publishing LLC. |
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| |
Address |
|
|
| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
000348129700053 |
Publication Date |
2015-01-10 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0021-9606;1089-7690; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.965 |
Times cited |
7 |
Open Access |
|
|
| |
Notes |
; This work was partially supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), PIFI 3.4 – PROMEP, and CONACyT (Grant Nos. 61418/2007, 102339/2008, Ph.D. scholarship 230171/2010). R.C.-P. also acknowledges financial support provided by the Marcos Moshinsky fellowship 2013-2014. The authors also thank to the General Coordination of Information and Communications Technologies (CGSTIC) at Cinvestav for providing HPC resources on the Hybrid Cluster Super-computer Xiuhcoatl, which have contributed partially to the research results reported in this paper. ; |
Approved |
Most recent IF: 2.965; 2015 IF: 2.952 |
|
| |
Call Number |
c:irua:123832 |
Serial |
3267 |
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| Permanent link to this record |
| |
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| |
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Author |
Esteban, D.A.; Vanrompay, H.; Skorikov, A.; Béché, A.; Verbeeck, J.; Freitag, B.; Bals, S. |
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| |
Title |
Fast electron low dose tomography for beam sensitive materials |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Microscopy And Microanalysis |
Abbreviated Journal |
Microsc Microanal |
|
| |
Volume |
27 |
Issue |
S1 |
Pages |
2116-2118 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
|
|
| |
Address |
|
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
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|
| |
Language |
|
Wos |
|
Publication Date |
2021-07-30 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1431-9276 |
ISBN |
|
Additional Links |
UA library record |
|
| |
Impact Factor |
1.891 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 1.891 |
|
| |
Call Number |
EMAT @ emat @c:irua:183278 |
Serial |
6813 |
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| Permanent link to this record |
| |
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| |
|
Author |
Esteban, D.A.; Chamocho, E.G.; Carretero González, J.; Urones Garrote, E.; Otero Díaz, L.C.; Brande, D.Á. |
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| |
Title |
Enhancing Electrochemical Properties of Walnut Shell Activated Carbon with Embedded MnO Clusters for Supercapacitor Applications |
Type |
A1 Journal Article |
| |
Year |
2024 |
Publication |
Batteries & Supercaps |
Abbreviated Journal |
Batteries & Supercaps |
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| |
Volume |
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Issue |
|
Pages |
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| |
Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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| |
Abstract |
Activated carbon (AC) materials from renewable sources are widely used in electrochemical applications due to their well‐known high surface area. However, their application as electrode material in double‐layer electrochemical devices may be limited due to their relatively low electrical conductivity and lightweight. To overcome these limitations, the incorporation of pseudocapacitance metal oxide nanoparticles is an optimum approach. These nanoparticles can provide a second energy storage mechanism to the composite, mitigating the loss of surface area associated with their incorporation. As a result, the composite material is endowed with increased conductivity and higher density, making it more suitable for practical implementation in real devices. In this study, we have incorporated a fine dispersion of 1 % of MnO clusters into a highly porous activated carbon synthesized from walnut shells (WAC). The high‐resolution electron microscopy studies, combined with their related analytical techniques, allow us to determine the presence of the cluster within the matrix carbon precisely. The resulting MnO@WAC composite demonstrated significantly improved capacitive behavior compared with the WAC material, with increased volumetric capacitance and higher charge retention at higher current densities. The composite‘s electrochemical performance suggests its potential as a promising electrode material for supercapacitors, addressing drawbacks associated with traditional AC materials. |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
001198179300001 |
Publication Date |
2024-04-08 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2566-6223 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
Grants PID2020-112848RB-C21 funded by MCIN/AEI/ 10.13039/501100011033 and by the European Union PRTR funding through projects are acknowledged. Access to the ICTS- CNME for TEM is also acknowledged. |
Approved |
Most recent IF: NA |
|
| |
Call Number |
EMAT @ emat @c:irua:205463 |
Serial |
9119 |
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| Permanent link to this record |
| |
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| |
|
Author |
Esquivel, M.R.; Zelaya, E. |
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| |
Title |
Synthesis and characterisation of lanthanide-based dioxide |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Advances in applied ceramics |
Abbreviated Journal |
Adv Appl Ceram |
|
| |
Volume |
110 |
Issue |
4 |
Pages |
219-224 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
In the present work, the microstructure and structure of La(0.25)Ce(0.52)Nd(0.17)Pr(0.06)(OH)(3) and La(0.25)Ce(0.52)Nd(0.17)Pr(0.06)O(2) is obtained from transmission electron microscopy and X-ray diffraction measurements. Space group P6(3)/m is assigned to the structure of La(0.25)Ce(0.52)Nd(0.17)Pr(0.06)(OH)(3). Lanthanides are assigned to Wyckoff positions 2c. Cell parameters are a=6.375(5) angstrom and c=3.753(5) angstrom. The thermal decomposition of this compound was studied by differential scanning calorimetry. The process is exothermal with an enthalpy change Delta H degrees value of -254 +/- 10 kJ mol(-1). The decomposition kinetics is complex and two global processes with E(a) values of 98 +/- 4 and 61 +/- 2 kJ mol 21 were observed. The product is a lanthanide dioxide. Space group Fm3m is assigned to the La(0.25)Ce(0.52)Nd(0.17)Pr(0.06)O(2). Lanthanides are distributed in Wyckoff positions 4a. The cell parameter is a=5.479(5) angstrom. Nanopores in the oxide surface are obtained using this method and characterised by STEM measurements. |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Leeds |
Editor |
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| |
Language |
|
Wos |
000291206700006 |
Publication Date |
2011-05-30 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1743-6753;1743-6761; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.325 |
Times cited |
3 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.325; 2011 IF: 0.871 |
|
| |
Call Number |
UA @ lucian @ c:irua:105588 |
Serial |
3410 |
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| Permanent link to this record |
| |
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| |
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Author |
Esquivel, D.; Ouwehand, J.; Meledina, M.; Turner, S.; Tendeloo, G.V.; Romero-Salguero, F.J.; Clercq, J.D.; Voort, P.V.D. |
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| |
Title |
Thiol-ethylene bridged PMO: A high capacity regenerable mercury adsorbent via intrapore mercury thiolate crystal formation |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
J Hazard Mater |
|
| |
Volume |
339 |
Issue |
339 |
Pages |
368-377 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Highly ordered thiol-ethylene bridged Periodic Mesoporous Organosilicas were synthesized directly from a homemade thiol-functionalized bis-silane precursor. These high surface area materials contain up to 4.3 mmol/g sulfur functions in the walls and can adsorb up to 1183 mg/g mercury ions. Raman spectroscopy reveals the existence of thiol and disulfide moieties. These groups have been evaluated by a combination of Raman spectroscopy, Ellman’s reagent and elemental analysis. The adsorption of mercury ions was evidenced by different techniques, including Raman, XPS and porosimetry, which indicate that thiol groups are highly accessible to mercury. Scanning transmission electron microscopy combined with EDX showed an even homogenous distribution of the sulfur atoms throughout the structure, and have revealed for the first time that a fraction of the adsorbed mercury is forming thiolate nanocrystals in the pores. The adsorbent is highly selective for mercury and can be regenerated and reused multiple times, maintaining its structure and functionalities and showing only a marginal loss of adsorption capacity after several runs. |
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| |
Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
000407188200040 |
Publication Date |
2017-06-22 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0304-3894 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.065 |
Times cited |
12 |
Open Access |
OpenAccess |
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| |
Notes |
D.E. thanks the F.W.O. Flanders (Fund Scientific Research) for a postdoctoral grant (3E10813W). J.O. acknowledges also F.W.O. Flanders, research project G006813N, and the research Board of Ghent University, UGent GOA (Concerted Research Actions) (grant 01G00710) for financial support. F. J. R.-S. acknowledges funding of this research by the Spanish Ministry of Economy and Competitiveness (Project MAT2013-44463-R), Andalusian Regional Government (FQM-346 group), and Feder Funds. The Titan microscope used for this investigation was partially funded by the Hercules foundation of the Flemish government. This work was supported by the Belgian IAP-PAI network. |
Approved |
Most recent IF: 6.065 |
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| |
Call Number |
EMAT @ emat @ c:irua:144433 |
Serial |
4624 |
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| Permanent link to this record |
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| |
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Author |
Espinoza Torres, C.; Condó, A.M.; Haberkorn, N.; Zelaya, E.; Schryvers, D.; Guimpel, J.; Lovey, F.C. |
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| |
Title |
Structures in textured Cu-Al-Ni shape memory thin films grown by sputtering |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Materials characterization |
Abbreviated Journal |
Mater Charact |
|
| |
Volume |
96 |
Issue |
|
Pages |
256-262 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
The structure and texture formation in CuAlNi thin films of different thicknesses (1 μm to 5 μm) grown by DC magnetron sputtering without any intentional heating of the substrate are reported. The as-grown films present grains with an average size of 20 nm. The films with thickness of 1 μm have a single metastable phase with a hexagonal structure and are textured with planes (0002) parallel to the plane of the films. It was observed that thicker films present phase coexistence between metastable hexagonal and body centered cubic structures with a gradual increment of the body centered cubic phase fraction. The films with thickness of 5 μm are textured with planes (0002) and View the MathML source101¯0 in the hexagonal structure, whereas in the body centered cubic structure the films are textured with {110} planes parallel to the plane of the films. This fact can be associated with self-heating of the substrate during the growth of the films and with the relative stability of the metastable phases. Free standing films annealed in a second step (1123 K for 1 h) present austenitic phase with L21 structure and sub-micrometric grains textured with {220}L21 planes parallel to the plane of the films. The martensitic transformation temperature was determined from the analysis of resistance against temperature measurements. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
New York |
Editor |
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| |
Language |
|
Wos |
000343346400032 |
Publication Date |
2014-08-10 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1044-5803; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.714 |
Times cited |
9 |
Open Access |
|
|
| |
Notes |
(CONICET PIP 11220090100457) and MINCYT-FWO International Exchange Project FW/09/03 is also acknowledged |
Approved |
Most recent IF: 2.714; 2014 IF: 1.845 |
|
| |
Call Number |
UA @ lucian @ c:irua:118931 |
Serial |
3321 |
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| Permanent link to this record |
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| |
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Author |
Espinosa, I.M.P.; Karaaslan, Y.; Sevik, C.; Martini, A. |
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| |
Title |
Atomistic model of the anisotropic response of ortho-Mo₂C to indentation |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
AIP advances |
Abbreviated Journal |
|
|
| |
Volume |
13 |
Issue |
6 |
Pages |
065125-65127 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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| |
Abstract |
Molybdenum carbide has various applications for which studying the material using classical molecular dynamics simulations would be valuable. Here, we develop an empirical potential within the Tersoff formalism using particle swarm optimization for the orthorhombic phase of Mo2C. The developed potential is shown to predict lattice constants, elastic properties, and equation of state results that are consistent with current and previously reported results from experiments and first principles calculations. We demonstrate the potential with simulations of indentation using multiple indenter sizes that load and unload in three different directions relative to the crystallographic lattice of orthorhombic Mo2C. Direction-dependent force-displacement trends are analyzed and explained in terms of the spatial distributions of stress and strain within the material during indentation. This study reveals the anisotropic elasticity of orthorhombic Mo2C and, more generally, provides researchers with a new empirical potential that can be used to explore the properties and behavior of the material going forward. |
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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 |
001016472500005 |
Publication Date |
2023-06-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
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Series Issue |
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Edition |
|
|
| |
ISSN |
2158-3226 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
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| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:198333 |
Serial |
8834 |
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| Permanent link to this record |
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| |
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Author |
Espinosa, E.H.; Lonescu, R.; Bittencourt, C.; Felten, A.; Erni, R.; Van Tendeloo, G.; Pireaux, J.-J.; Llobet, E. |
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| |
Title |
Metal-decorated multi-wall carbon nanotubes for low temperature gas sensing |
Type |
A1 Journal article |
| |
Year |
2007 |
Publication |
Thin solid films : an international journal on the science and technology of thin and thick films |
Abbreviated Journal |
Thin Solid Films |
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| |
Volume |
515 |
Issue |
23 |
Pages |
8322-8327 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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| |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam : Elsevier |
Editor |
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| |
Language |
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Wos |
000250353700005 |
Publication Date |
2007-03-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
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Edition |
|
|
| |
ISSN |
0040-6090; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.879 |
Times cited |
86 |
Open Access |
|
|
| |
Notes |
Pai 5/1 |
Approved |
Most recent IF: 1.879; 2007 IF: 1.693 |
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| |
Call Number |
UA @ lucian @ c:irua:66631 |
Serial |
2008 |
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| Permanent link to this record |
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| |
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Author |
Esken, D.; Zhang, X.; Lebedev, O.I.; Schröder, F.; Fischer, R.A. |
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| |
Title |
Pd@MOF-5: limitations of gas-phase infiltration and solution impregnation of [Zn4O(bdc)3] (MOF-5) with metalorganic palladium precursors for loading with Pd nanoparticles |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
|
| |
Volume |
19 |
Issue |
9 |
Pages |
1314-1319 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
The limitations of the loading of the porous metalorganic framework [Zn4O(bdc)3] (bdc = benzene-1,4-dicarboxylate; MOF-5 or IRMOF-1) with Pd nanoparticles was investigated. First, the volatile organometallic precursor [Pd(5-C5H5)(3-C3H5)] was employed to get the inclusion compound [Pd(5-C5H5)(3-C3H5)]x@MOF-5 via gas-phase infiltration at 10-3 mbar. A loading of four molecules of [Pd(5-C5H5)(3-C3H5)] per formula unit of MOF-5 (x = 4) can be reached (35 wt.% Pd). Second, the metalorganic precursor [Pd(acac)2] (acac = 2,4-pentanedionate) was used and the inclusion materials [Pd(acac)2]x@MOF-5 of different Pd loadings were obtained by incipient wetness infiltration. However, the maximum loading was lower as compared with the former case with about two precursor molecules per formula unit of MOF-5. Both loading routes are suitable for the synthesis of Pd nanoparticles inside the porous host matrix. Homogeneously distributed nanoparticles with diameter of 2.4(±0.2) nm can be achieved by photolysis of the inclusion compounds [Pd(5-C5H5)(3-C3H5)]x@MOF-5 (x 4), while the hydrogenolysis of [Pd(acac)2]x@MOF-5 (x 2) leads to a mixture of small particles inside the network (< 3 nm) and large Pd agglomerates (40 nm) on the outer surface of the MOF-5 specimens. The pure Pdx@MOF-5 materials proved to be stable under hydrogen pressure (2 bar) at 150 °C over many hours. Neither hydrogenation of the bdc linkers nor particle growth was observed. The new composite materials were characterized by 1H/13C-MAS-NMR, powder XRD, ICP-AES, FT-IR, N2 sorption measurements and high resolution TEM. Raising the Pd loading of a representative sample Pd4@MOF-5 (35 wt.% Pd) by using [Pd(5-C5H5)(3-C3H5)] as precursor in a second cycle of gas-phase infiltration and photolysis was accompanied by the collapse of the long-range crystalline order of the MOF. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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| |
Language |
|
Wos |
000263450300015 |
Publication Date |
2009-01-22 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0959-9428;1364-5501; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
100 |
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:76318 |
Serial |
2565 |
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| Permanent link to this record |
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| |
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Author |
Esken, D.; Turner, S.; Wiktor, C.; Kalidindi, S.B.; Van Tendeloo, G.; Fischer, R.A. |
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Title |
GaN@ZIF-8 : selective formation of gallium nitride quantum dots inside a zinc methylimidazolate framework |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
|
| |
Volume |
133 |
Issue |
41 |
Pages |
16370-16373 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The microporous zeolitic imidazolate framework [Zn(MeIM)2; ZIF-8; MeIM = imidazolate-2-methyl] was quantitatively loaded with trimethylamine gallane [(CH3)3NGaH3]. The obtained inclusion compound [(CH3)3NGaH3]@ZIF-8 reveals three precursor molecules per host cavity. Treatment with ammonia selectively yields the caged cyclotrigallazane intermediate (H2GaNH2)3@ZIF-8, and further annealing gives GaN@ZIF-8. This new composite material was characterized with FT-IR spectroscopy, solid-state NMR spectroscopy, powder X-ray diffraction, elemental analysis, (scanning) transmission electron microscopy combined with electron energy-loss spectroscopy, photoluminescence (PL) spectroscopy, and N2 sorption measurements. The data give evidence for the presence of GaN nanoparticles (13 nm) embedded in the cavities of ZIF-8, including a blue-shift of the PL emission band caused by the quantum size effect. |
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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 |
Washington, D.C. |
Editor |
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| |
Language |
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Wos |
000295997500014 |
Publication Date |
2011-09-13 |
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| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0002-7863;1520-5126; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
13.858 |
Times cited |
82 |
Open Access |
|
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| |
Notes |
Hercules |
Approved |
Most recent IF: 13.858; 2011 IF: 9.907 |
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| |
Call Number |
UA @ lucian @ c:irua:93582 |
Serial |
1315 |
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| Permanent link to this record |
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| |
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Author |
Esken, D.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Fischer, R.A. |
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| |
Title |
Au@ZIFs: stabilization and encapsulation of cavity-size matching gold clusters inside functionalized Zeolite Imidazolate Frameworks, ZIFs |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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| |
Volume |
22 |
Issue |
23 |
Pages |
6393-6401 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The selective formation and stabilization of very small, naked metal particles inside the cavities of metal organic frameworks (MOFs) and the simultaneous realization of an even distribution of the particles throughout the crystalline MOF host matrix over a wide range of metal loading are challenging goals. MOFs reveal high specific surface areas, tunable pore sizes, and organic linkers, which are able to interact with guests. The chemically very robust zeolite imidazolate frameworks (ZIFs) are a subclass of MOFs. We chose the microporous sodalite-like ZIF-8 (Zn(MelM)(2); IM = imidazolate) and ZIF-90 (Zn(ICA)(2); ICA = imidazolate-2-carboxyaldehyde) as host matrices to influence the dispersion of imbedded gold nanoparticles (Au NPs). The metal loading was achieved via gas phase infiltration of [Au(CO)Cl] followed by a thermal hydrogenation step to form the Au NPs. Low-dose high-resolution transmission electron microscopy ((HR)TEM) and electron tomography reveal a homogeneous distribution of Au NPs throughout the ZIF matrix. The functional groups of ZIF-90 direct the anchoring of intermediate Au species and stabilize drastically smaller and quite monodisperse Au NPs in contrast to the parent not functionalized ZIF-8. The particles can be very small, match the cavity size and approach defined molecular clusters of magic numbers, i.e., Au(55), independently from the level of loading. Post-synthetic oxidation of the aldehyde groups to yield alkyl esters by the adjacent, catalytically active metal NPs is presented as a new concept of encapsulating nanoparticles inside MOFs and allows multiple steps of metal loadings without decomposition of the MOF. |
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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 |
Washington, D.C. |
Editor |
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| |
Language |
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Wos |
000284975100025 |
Publication Date |
2010-11-12 |
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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 |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
9.466 |
Times cited |
194 |
Open Access |
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| |
Notes |
Esteem 026019 |
Approved |
Most recent IF: 9.466; 2010 IF: 6.400 |
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| |
Call Number |
UA @ lucian @ c:irua:95530 |
Serial |
208 |
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| Permanent link to this record |
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Author |
Esken, D.; Noei, H.; Wang, Y.; Wiktor, C.; Turner, S.; Van Tendeloo, G.; Fischer, R.A. |
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Title |
ZnO@ZIF-8 : stabilization of quantum confined ZnO nanoparticles by a zinc methylimidazolate framework and their surface structural characterization probed by CO2 adsorption |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
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| |
Volume |
21 |
Issue |
16 |
Pages |
5907-5915 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The microporous and activated zeolitic imidazolate framework (Zn(MeIM)2; MeIM = imidazolate-2-methyl; ZIF-8) was loaded with the MOCVD precursor diethyl zinc [Zn(C2H5)2]. Exposure of ZIF-8 to the vapour of the volatile organometallic molecule resulted in the formation of the inclusion compound [Zn(C2H5)2]0.38@ZIF-8 revealing two precursor molecules per cavity. In a second step the obtained material was treated with oxygen (5 vol% in argon) at various temperatures (oxidative annealing) to achieve the composite material ZnO0.35@ZIF-8. The new material was characterized with powder XRD, FT-IR, UV-vis, solid state NMR, elemental analysis, N2 sorption measurements, and transmission electron microscopy. The data give evidence for the presence of nano-sized ZnO particles stabilized by ZIF-8 showing a blue-shift of the UV-vis absorption caused by quantum size effect (QSE). The surface structure and reactivity of embedded ZnO nanoparticles were characterized via carbon dioxide adsorption at different temperatures monitored by ultra-high vacuum FTIR techniques. It was found that the surface of ZnO nanoparticles is dominated by polar OZnO and ZnZnO facets as well as by defect sites, which all exhibit high reactivity towards CO2 activation forming various adsorbed carbonate and chemisorbed CO2δ− species. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000289260000012 |
Publication Date |
2011-03-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0959-9428;1364-5501; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
76 |
Open Access |
|
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| |
Notes |
Esteem 026019 |
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:88641 |
Serial |
3936 |
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| Permanent link to this record |
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Author |
Eshtehardi, H.A.; Van ‘t Veer, K.; Delplancke, M.-P.; Reniers, F.; Bogaerts, A. |
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Title |
Postplasma Catalytic Model for NO Production: Revealing the Underlying Mechanisms to Improve the Process Efficiency |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
ACS Sustainable Chemistry and Engineering |
Abbreviated Journal |
|
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| |
Volume |
11 |
Issue |
5 |
Pages |
1720-1733 |
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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 |
Plasma catalysis is emerging for plasma-assisted gas conversion
processes. However, the underlying mechanisms of plasma catalysis are poorly
understood. In this work, we present a 1D heterogeneous catalysis model with axial
dispersion (i.e., accounting for back-mixing and molecular diffusion of fluid elements in
the process stream in the axial direction), for plasma-catalytic NO production from
N2/O2 mixtures. We investigate the concentration and reaction rates of each species
formed as a function of time and position across the catalyst, in order to determine the
underlying mechanisms. To obtain insights into how the performance of the process
can be further improved, we also study how changes in the postplasma gas flow
composition entering the catalyst bed and in the operation conditions of the catalytic
stage affect the performance of NO production. |
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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 |
000926412800001 |
Publication Date |
2023-02-06 |
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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 |
|
Series Issue |
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Edition |
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| |
ISSN |
2168-0485 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
8.4 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
This research was supported by the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023) and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No. 810182 − SCOPE ERC Synergy project). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. |
Approved |
Most recent IF: 8.4; 2023 IF: 5.951 |
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Call Number |
PLASMANT @ plasmant @c:irua:195377 |
Serial |
7257 |
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| Permanent link to this record |
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| |
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Author |
Eshtehardi, H.A.; Van ‘t Veer, K.; Delplancke, M.-P.; Reniers, F.; Bogaerts, A. |
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| |
Title |
Postplasma Catalytic Model for NO Production: Revealing the Underlying Mechanisms to Improve the Process Efficiency |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
ACS Sustainable Chemistry and Engineering |
Abbreviated Journal |
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| |
Volume |
11 |
Issue |
5 |
Pages |
1720-1733 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
Plasma catalysis is emerging for plasma-assisted gas conversion
processes. However, the underlying mechanisms of plasma catalysis are poorly
understood. In this work, we present a 1D heterogeneous catalysis model with axial
dispersion (i.e., accounting for back-mixing and molecular diffusion of fluid elements in
the process stream in the axial direction), for plasma-catalytic NO production from
N2/O2 mixtures. We investigate the concentration and reaction rates of each species
formed as a function of time and position across the catalyst, in order to determine the
underlying mechanisms. To obtain insights into how the performance of the process
can be further improved, we also study how changes in the postplasma gas flow
composition entering the catalyst bed and in the operation conditions of the catalytic
stage affect the performance of NO production. |
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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 |
000926412800001 |
Publication Date |
2023-02-06 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2168-0485 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
8.4 |
Times cited |
|
Open Access |
OpenAccess |
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| |
Notes |
Fonds Wetenschappelijk Onderzoek, 30505023 GoF9618n ; Fonds De La Recherche Scientifique – FNRS, 30505023 GoF9618n ; H2020 European Research Council, 810182 ; |
Approved |
Most recent IF: 8.4; 2023 IF: 5.951 |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:195377 |
Serial |
7258 |
|
| Permanent link to this record |
