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Author |
De Meyer, R.; Albrecht, W.; Bals, S. |
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Title |
Effectiveness of reducing the influence of CTAB at the surface of metal nanoparticles during in situ heating studies by TEM |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Micron |
Abbreviated Journal |
Micron |
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Volume |
144 |
Issue |
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Pages |
103036 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
In situ TEM is a valuable technique to offer novel insights in the behavior of nanomaterials under various conditions. However, interpretation of in situ experiments is not straightforward since the electron beam can impact the outcome of such measurements. For example, ligands surrounding metal nanoparticles transform into a protective carbon layer upon electron beam irradiation and may impact the apparent thermal stability during in situ heating experiments. In this work, we explore the effect of different treatments typically proposed to remove such ligands. We found that plasma treatment prior to heating experiments for Au nanorods and nanostars increased the apparent thermal stability of the nanoparticles, while an activated carbon treatment resulted in a decrease of the observed thermal stability. Treatment with HCl barely changed the experimental outcome. These results demonstrate the importance of carefully selecting pre-treatments procedures during in situ heating experiments. |
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Wos |
000632282600002 |
Publication Date |
2021-02-19 |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0968-4328 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
1.98 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
H2020; European Research Council; This work was supported by the European Union’s Horizon 2020 research and innovation program [grant agreement No 823717 (ESTEEM3) and No 815128 (REALNANO)]; We acknowledge Prof. Luis M. Liz-Marzán and co-workers of the Bionanoplasmonics Laboratory, CICbiomaGUNE, Spain for providing the Au nanoparticles.; sygma; esteem3jra; esteem3reported |
Approved |
Most recent IF: 1.98 |
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Call Number |
EMAT @ emat @c:irua:175874 |
Serial |
6677 |
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Permanent link to this record |
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Author |
Fedina, L.; Gutakovskii, A.; Aseev, A.; van Landuyt, J.; Vanhellemont, J. |
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Title |
Extended defects formation in Si crystals by clustering of intrinsic point defects studied by in-situ electron irradiation in an HREM |
Type |
A1 Journal article |
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Year |
1999 |
Publication |
Physica status solidi: A: applied research
T2 – International Conference on Extended Defects in Semiconductors (EDS 98), Sept. 06-11, 1998, Jaszowiec, Poland |
Abbreviated Journal |
Phys Status Solidi A |
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Volume |
171 |
Issue |
1 |
Pages |
147-157 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
In situ irradiation experiments in a high resolution electron microscope JEOL-4000EX at room temperature resulted in discovery of the isolated and combined clustering of vacancies and self-interstitial atoms on {111}- and {113}-habit planes both leading to an extended defect formation in Si crystals. The type of the defect is strongly affected by the type of supersaturation of point defects depending on the crystal thickness during electron irradiation. Because of the existence of energy barriers against recombination of interstitials with the extended aggregates of vacancies, a large family of intermediate defect configurations (IDCs) is formed on {113}- and {111}-habit planes at a low temperature under interstitial supersaturation in addition to the well-known {133}-defects of interstitial type. The formation of metastable IDCs inside vacancy aggregates prevents a way of recombination of defects in extended shape. |
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Publisher |
Wiley |
Place of Publication |
Berlin |
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Wos |
000078539700020 |
Publication Date |
2002-09-10 |
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Abbreviated Series Title |
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Edition |
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ISSN |
0031-8965;1521-396X; |
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 |
40 |
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:95798 |
Serial |
1152 |
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Permanent link to this record |
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Author |
Fedina, L.; Gutakovskii, A.; Aseev, A.; van Landuyt, J.; Vanhellemont, J. |
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Title |
Clustering of vacancies on {113} planes in Si layers close to Si-Si3N4 interfaces and further aggregation of self-interstitials inside vacancy clusters during electron irradiation |
Type |
A1 Journal article |
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Year |
1999 |
Publication |
Institute of physics conference series
T2 – Conference on Microscopy of Semiconducting Materials, MAR 22-25, 1999, UNIV OXFORD, OXFORD, ENGLAND |
Abbreviated Journal |
Inst Phys Conf Ser |
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Volume |
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Issue |
164 |
Pages |
495-498 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
In situ HREM irradiation of (110) FZ-Si crystals covered with thin Si3N4 films was carried out in a JEOL-4000EX microscope, operated at 400 keV at room temperature. It is found that clustering of vacancies on (113) planes is realised in a Si layer close to the Si-Si3N4 interface at the initial stage of irradiation. Further aggregation of self-interstitials inside vacancy clusters is considered as an alternative way of point defect recombination in extended shape, to be accomplished with the formation of the extended defects of interstitial type upon interstitial supersaturation. |
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Wos |
000166835300106 |
Publication Date |
0000-00-00 |
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Abbreviated Series Title |
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Edition |
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ISSN |
0-7503-0650-5; 0951-3248 |
ISBN |
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Additional Links |
UA library record; WoS full record; |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:102918 |
Serial |
376 |
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Permanent link to this record |
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Author |
Dhayalan, S.K.; Kujala, J.; Slotte, J.; Pourtois, G.; Simoen, E.; Rosseel, E.; Hikavyy, A.; Shimura, Y.; Iacovo, S.; Stesmans, A.; Loo, R.; Vandervorst, W.; |
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Title |
On the manifestation of phosphorus-vacancy complexes in epitaxial Si:P films |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
108 |
Issue |
108 |
Pages |
082106 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In situ doped epitaxial Si: P films with P concentrations > 1 x 10(21) at./cm(3) are suitable for source-drain stressors of n-FinFETs. These films combine the advantages of high conductivity derived from the high P doping with the creation of tensile strain in the Si channel. It has been suggested that the tensile strain developed in the Si: P films is due to the presence of local Si3P4 clusters, which however do not contribute to the electrical conductivity. During laser annealing, the Si3P4 clusters are expected to disperse resulting in an increased conductivity while the strain reduces slightly. However, the existence of Si3P4 is not proven. Based on first-principles simulations, we demonstrate that the formation of vacancy centered Si3P4 clusters, in the form of four P atoms bonded to a Si vacancy, is thermodynamically favorable at such high P concentrations. We suggest that during post epi-growth annealing, a fraction of the P atoms from these clusters are activated, while the remaining part goes into interstitial sites, thereby reducing strain. We corroborate our conjecture experimentally using positron annihilation spectroscopy, electron spin resonance, and Rutherford backscattering ion channeling studies. (C) 2016 AIP Publishing LLC. |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
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Language |
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Wos |
000373057000023 |
Publication Date |
2016-02-24 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-6951; 1077-3118 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
9 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.411 |
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Call Number |
UA @ lucian @ c:irua:133245 |
Serial |
4217 |
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Permanent link to this record |
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Author |
Mobaraki, A.; Kandemir, A.; Yapicioglu, H.; Gulseren, O.; Sevik, C. |
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Title |
Validation of inter-atomic potential for WS2 and WSe2 crystals through assessment of thermal transport properties |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Computational materials science |
Abbreviated Journal |
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Volume |
144 |
Issue |
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Pages |
92-98 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In recent years, transition metal dichalcogenides (TMDs) displaying astonishing properties are emerged as a new class of two-dimensional layered materials. The understanding and characterization of thermal transport in these materials are crucial for efficient engineering of 2D TMD materials for applications such as thermoelectric devices or overcoming general overheating issues. In this work, we obtain accurate Stillinger-Weber type empirical potential parameter sets for single-layer WS2 and WSe2 crystals by utilizing particle swarm optimization, a stochastic search algorithm. For both systems, our results are quite consistent with first-principles calculations in terms of bond distances, lattice parameters, elastic constants and vibrational properties. Using the generated potentials, we investigate the effect of temperature on phonon energies and phonon linewidth by employing spectral energy density analysis. We compare the calculated frequency shift with respect to temperature with corresponding experimental data, clearly demonstrating the accuracy of the generated inter-atomic potentials in this study. Also, we evaluate the lattice thermal conductivities of these materials by means of classical molecular dynamics simulations. The predicted thermal properties are in very good agreement with the ones calculated from first-principles. (C) 2017 Elsevier B.V. All rights reserved. |
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Wos |
000424902300013 |
Publication Date |
2017-12-16 |
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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 |
0927-0256 |
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:193774 |
Serial |
8729 |
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Permanent link to this record |
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Author |
Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Huygh, S.; Bal, K.M.; Neyts, E.C. |
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Title |
Temperature influence on the reactivity of plasma species on a nickel catalyst surface : an atomic scale study |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Catalysis today |
Abbreviated Journal |
Catal Today |
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Volume |
211 |
Issue |
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Pages |
131-136 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In recent years, the potential use of hydrogen as a clean energy source has gained considerable attention. Especially H2 formation by Ni-catalyzed reforming of methane at elevated temperatures is an attractive process. However, a more fundamental knowledge at the atomic level is needed for a full comprehension of the reactions at the catalyst surface. In this contribution, we therefore investigate the H2 formation after CHx impacts on a Ni(1 1 1) surface in the temperature range 4001600 K, by means of reactive molecular dynamics (MD) simulations using the ReaxFF potential. While some H2 formation is already observed at the lower temperatures, substantial H2 formation is only obtained at elevated temperatures of 1400 K and above. At 1600 K, the H2 molecules are even the most frequently formed species. In direct correlation with the increasing dehydrogenation at elevated temperatures, an increased surface-to-subsurface C-diffusivity is observed as well. This study highlights the major importance of the temperature on the H2 formation. |
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Place of Publication |
Amsterdam |
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Language |
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Wos |
000320697800020 |
Publication Date |
2013-03-25 |
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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 |
0920-5861; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.636 |
Times cited |
27 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.636; 2013 IF: 3.309 |
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Call Number |
UA @ lucian @ c:irua:108675 |
Serial |
3500 |
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Permanent link to this record |
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Author |
Kumar, N.; Attri, P.; Dewilde, S.; Bogaerts, A. |
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Title |
Inactivation of human pancreatic ductal adenocarcinoma with atmospheric plasma treated media and water: a comparative study |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
51 |
Issue |
25 |
Pages |
255401 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In recent years, the interest in treating cancer cells with plasma treated media (PTM) and plasma treated water (PTW) has increased tremendously. However, the actions of PTM and PTW are still not entirely understood. For instance, it is not clear whether the action of PTM is due to a modification in proteins/amino acids after plasma treatment of the media, or due to reactive oxygen and nitrogen species (RONS) generated from the plasma, or a combination of both effects. To differentiate between the actions of RONS and modified proteins/amino acids on the treatment of cancer cells, we compared the effects of PTM and PTW on two different pancreatic ductal adenocarcinomas (MiaPaca-2, BxPc3) and pancreatic stellate cells
(PSCs) (hPSC128-SV). PSCs closely interact with cancer cells to create a tumor-promoting environment that stimulates local tumor progression and metastasis. We treated culture media and deionized water with a cold atmospheric plasma (CAP) jet, and subsequently applied this PTM/PTW at various ratios to the pancreatic cancer and PSC cell lines. We evaluated cell death, intracellular ROS concentrations and the mRNA expression profiles of four oxidative stress-related genes, i.e. Mitogen-activated protein kinase 7 (MAPK7), B-cell lymphoma 2 (BCL2), Checkpoint kinase 1 (CHEK1) and DNA damage-inducible transcript 3, also known as C/EBP homologous protein (CHOP). Our findings demonstrate that PTM and PTW have a similar efficacy to kill pancreatic cancer cells, while PTW is slightly more effective in killing PSCs, as compared to PTM. Furthermore, we observed an enhancement of the intracellular ROS concentrations in both pancreatic cancer cells and PSCs. Thus, it is likely that under our experimental conditions, the anti-cancer activity of PTM can be attributed more to the RONS present in the treated liquid, than to the modification of proteins/amino acids in the media. Furthermore, the fact that the chemo-resistant PSCs were killed by PTM/PTW may offer possibilities for new anti-cancer therapies for pancreatic cancer cells, including PSCs. |
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Language |
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Wos |
000434266900001 |
Publication Date |
2018-06-04 |
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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 |
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 |
6 |
Open Access |
OpenAccess |
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Notes |
We gratefully acknowledge financial support from the Research Foundation—Flanders (FWO) (grant number 12J5617N) and from the European Marie Skłodowska–Curie Individual Fellowship ‘Anticancer-PAM’ within Horizon2020 (grant number 743546). We also thank Atsushi Masamune (Division of Gastroenterology, Tohoku University Graduate School of Medicine, Sendai, Miyagi Prefecture, Japan) for providing us with human PSCs (hPSC128-SV) for this study. |
Approved |
Most recent IF: 2.588 |
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Call Number |
PLASMANT @ plasmant @c:irua:151962 |
Serial |
4997 |
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Permanent link to this record |
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Author |
Van der Paal, J.; Verheyen, C.; Neyts, E.C.; Bogaerts, A. |
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Title |
Hampering Effect of Cholesterol on the Permeation of Reactive Oxygen Species through Phospholipids Bilayer: Possible Explanation for Plasma Cancer Selectivity |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
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Volume |
7 |
Issue |
7 |
Pages |
39526 |
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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 |
In recent years, the ability of cold atmospheric pressure plasmas (CAPS) to selectively induce cell death in cancer cells has been widely established. This selectivity has been assigned to the reactive oxygen and nitrogen species (RONS) created in CAPs. To provide new insights in the search for an explanation
for the observed selectivity, we calculate the transfer free energy of multiple ROS across membranes containing a varying amount of cholesterol. The cholesterol fraction is investigated as a selectivity parameter because membranes of cancer cells are known to contain lower fractions of cholesterol compared to healthy cells. We find that cholesterol has a significant effect on the permeation of
reactive species across a membrane. Indeed, depending on the specific reactive species, an increasing cholesterol fraction can lead to (i) an increase of the transfer free energy barrier height and width, (ii) the formation of a local free energy minimum in the center of the membrane and (iii) the creation of extra free energy barriers due to the bulky sterol rings. In the context of plasma oncology, these observations suggest that the increased ingress of RONS in cancer cells can be explained by the decreased cholesterol fraction of their cell membrane. |
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Wos |
000391306900001 |
Publication Date |
2017-01-06 |
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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 |
27 |
Open Access |
OpenAccess |
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Notes |
The authors acknowledge financial support from the Fund for Scientific Research (FWO) Flanders, grant number 11U5416N. The calculations were performed in part using the Turing HPC infrastructure of 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 Universiteit Antwerpen. |
Approved |
Most recent IF: 4.259 |
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Call Number |
PLASMANT @ plasmant @ c:irua:139512 |
Serial |
4340 |
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Permanent link to this record |
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Author |
Mangnus, M.J.J.; de Wit, J.W.; Vonk, S.J.W.; Geuchies, J.J.; Albrecht, W.; Bals, S.; Houtepen, A.J.; Rabouw, F.T. |
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Title |
High-throughput characterization of single-quantum-dot emission spectra and spectral diffusion by multiparticle spectroscopy |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
ACS Photonics |
Abbreviated Journal |
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Volume |
10 |
Issue |
8 |
Pages |
2688-2698 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
In recent years, quantum dots (QDs) have emerged as bright,color-tunablelight sources for various applications such as light-emitting devices,lasing, and bioimaging. One important next step to advance their applicabilityis to reduce particle-to-particle variations of the emission propertiesas well as fluctuations of a single QD's emission spectrum,also known as spectral diffusion (SD). Characterizing SD is typicallyinefficient as it requires time-consuming measurements at the single-particlelevel. Here, however, we demonstrate multiparticle spectroscopy (MPS)as a high-throughput method to acquire statistically relevant informationabout both fluctuations at the single-particle level and variationsat the level of a synthesis batch. In MPS, we simultaneously measureemission spectra of many (20-100) QDs with a high time resolution.We obtain statistics on single-particle emission line broadening fora batch of traditional CdSe-based core-shell QDs and a batchof the less toxic InP-based core-shell QDs. The CdSe-basedQDs show significantly narrower homogeneous line widths, less SD,and less inhomogeneous broadening than the InP-based QDs. The timescales of SD are longer in the InP-based QDs than in the CdSe-basedQDs. Based on the distributions and correlations in single-particleproperties, we discuss the possible origins of line-width broadeningof the two types of QDs. Our experiments pave the way to large-scale,high-throughput characterization of single-QD emission propertiesand will ultimately contribute to facilitating rational design offuture QD structures. |
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Wos |
001009443500001 |
Publication Date |
2023-06-18 |
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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 |
2330-4022 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7 |
Times cited |
1 |
Open Access |
OpenAccess |
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Notes |
This work was supported by The Netherlands Center for Multiscale Catalytic Energy Conversion (MCEC), an NWO Gravitation Programme funded by the Ministry of Education, Culture and Science of the government of The Netherlands. The electron microscopy experiments at EMAT were supported by the European Commission (EUSMI grant E210100474). |
Approved |
Most recent IF: 7; 2023 IF: 6.756 |
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Call Number |
UA @ admin @ c:irua:197337 |
Serial |
8879 |
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Permanent link to this record |
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Author |
Colin D. Judge, Nicolas Gauquelin, Lori Walters, Mike Wright, James I. Cole, James Madden, Gianluigi A. Botton, Malcolm Griffiths |
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Title |
Intergranular fracture in irradiated Inconel X-750 containing very high concentrations of helium and hydrogen |
Type |
A1 Journal Article |
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Year |
2015 |
Publication |
Journal of Nuclear Materials |
Abbreviated Journal |
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Volume |
457 |
Issue |
457 |
Pages |
165-172 |
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Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
In recent years, it has been observed that Inconel X-750 spacers in CANDU reactors exhibits lower ductility with reduced load carrying capacity following irradiation in a reactor environment. The fracture behaviour of ex-service material was also found to be entirely intergranular at high doses. The thermalized flux spectrum in a CANDU reactor leads to transmutation of 58Ni to 59Ni. The 59Ni itself has unusually high thermal neutron reaction cross-sections of the type: (n, γ), (n, p), and (n, α). The latter two reactions, in particular, contribute to a significant enhancement of the atomic displacements in addition to creating high concentrations of hydrogen and helium within the material. Microstructural examinations by transmission electron microscopy (TEM) have confirmed the presence of helium bubbles in the matrix and aligned along grain boundaries and matrix–precipitate interfaces. Helium bubble size and density are found to be highly dependent on the irradiation temperature and material microstructure; the bubbles are larger within grain boundary precipitates. TEM specimens extracted from fracture surfaces and crack tips provide information that is consistent with crack propagation along grain boundaries due to the presence of He bubbles. |
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Wos |
000349169100022 |
Publication Date |
2014-11-01 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
|
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ISSN |
|
ISBN |
|
Additional Links |
|
|
|
Impact Factor |
|
Times cited |
29 |
Open Access |
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|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
EMAT @ emat @ |
Serial |
4540 |
|
Permanent link to this record |
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Author |
Van der Paal, J.; Fridman, G.; Bogaerts, A. |
|
|
Title |
Ceramide cross-linking leads to pore formation: Potential mechanism behind CAP enhancement of transdermal drug delivery |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
|
|
Volume |
16 |
Issue |
16 |
Pages |
1900122 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
In recent years, cold atmospheric plasma (CAP) has been proposed as a novel method to enhance transdermal drug delivery, while avoiding tissue damage. However, the underlying mechanism for the increasing skin permeability upon CAP treatment is still undefined. We propose a mechanism in which CAP-generated reactive species induce cross-linking of skin lipids, leading to the generation of nanopores, thereby facilitating the permeation of drug molecules. Molecular dynamics simulations support this proposed mechanism. Furthermore, our results indicate that to achieve maximum enhancement of the permeability, the optimal treatment will depend on the exact lipid composition of the skin, as well as on the CAP source used. |
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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 |
000479747500001 |
Publication Date |
2019-07-30 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1612-8850 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.846 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.846 |
|
|
Call Number |
UA @ admin @ c:irua:161874 |
Serial |
6287 |
|
Permanent link to this record |
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|
Author |
Bogaerts, A.; Snoeckx, R.; Berthelot, A.; Heijkers, S.; Wang, W.; Sun, S.; Van Laer, K.; Ramakers, M.; Michielsen, I.; Uytdenhouwen, Y.; Meynen, V.; Cool, P. |
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Title |
Plasma based co2 conversion: a combined modeling and experimental study |
Type |
P1 Proceeding |
|
Year |
2016 |
Publication |
Hakone Xv: International Symposium On High Pressure Low Temperature Plasma Chemistry: With Joint Cost Td1208 Workshop: Non-equilibrium Plasmas With Liquids For Water And Surface Treatment |
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
|
|
|
Keywords |
P1 Proceeding; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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|
Abstract |
In recent years there is increased interest in plasma-based CO2 conversion. Several plasma setups are being investigated for this purpose, but the most commonly used ones are a dielectric barrier discharge (DBD), a microwave (MW) plasma and a gliding arc (GA) reactor. In this proceedings paper, we will show results from our experiments in a (packed bed) DBD reactor and in a vortex-flow GA reactor, as well as from our model calculations for the detailed plasma chemistry in a DBD, MW and GA, for pure CO2 as well as mixtures of CO2 with N-2, CH4 and H2O. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Masarykova univ |
Place of Publication |
Brno |
Editor |
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Language |
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Wos |
|
Publication Date |
0000-00-00 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
978-80-210-8318-9 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
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|
Call Number |
UA @ lucian @ c:irua:141553 |
Serial |
4526 |
|
Permanent link to this record |
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Author |
Bogaerts, A.; Berthelot, A.; Heijkers, S.; Kolev, S.; Snoeckx, R.; Sun, S.; Trenchev, G.; Van Laer, K.; Wang, W. |
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Title |
CO2conversion by plasma technology: insights from modeling the plasma chemistry and plasma reactor design |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
|
|
Volume |
26 |
Issue |
26 |
Pages |
063001 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
In recent years there has been growing interest in the use of plasma technology for CO2 conversion. To improve this application, a good insight into the underlying mechanisms is of great importance. This can be obtained from modeling the detailed plasma chemistry in order to understand the chemical reaction pathways leading to CO2 conversion (either in pure form or mixed with another gas). Moreover, in practice, several plasma reactor types are being investigated for CO2 conversion, so in addition it is essential to be able to model these reactor geometries so that their design can be improved, and the most energy efficient CO2 conversion can be achieved. Modeling the detailed plasma chemistry of CO2 conversion in complex reactors is, however, very time-consuming. This problem can be overcome by using a combination of two different types of model: 0D chemical reaction kinetics models are very suitable for describing the detailed plasma chemistry, while the characteristic features of different reactor geometries can be studied by 2D or 3D fluid models. In the first instance the latter can be developed in argon or helium with a simple chemistry to limit the calculation time; however, the ultimate aim is to implement the more complex CO2 chemistry in these models. In the present paper, examples will be given of both the 0D plasma chemistry models and the 2D and 3D fluid models for the most common plasma reactors used for CO2 conversion in order to emphasize the complementarity of both approaches. Furthermore, based on the modeling insights, the paper discusses the possibilities and limitations of plasma-based CO2 conversion in different types of plasma reactors, as well as what is needed to make further progress in this field. |
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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 |
000412173700001 |
Publication Date |
2017-05-15 |
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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 |
1361-6595 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.302 |
Times cited |
26 |
Open Access |
OpenAccess |
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|
Notes |
We would like to thank T Silva, N Britoun, Th Godfroid and R Snyders (Université de Mons and Materia Nova Research Center), A Ozkan, Th Dufour and F Reniers (Université Libre de Bruxelles) andK Van Wesenbeeck and S Lenaerts (University of Antwerp) for providingexperimental data to validate our models. Furthermore, we acknowledge the financial support from the IAP/7 (Inter-university Attraction Pole) program ‘PSI-Physical Chemistry of Plasma-Surface Interactions’ by the Belgian Federal Office for Science Policy (BELSPO), the Francqui Research Foundation, the European Union’s Seventh Framework Programme for research, technological development and demonstration under grant agreement no. 606889, the European Marie Skłodowska- Curie Individual Fellowship project ‘GlidArc’ within Horizon2020, the Methusalem financing of the University of Antwerp, the Fund for Scientific Research, Flanders (FWO; grant nos. G.0383.16N and 11U5316N) and the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Flanders). 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 Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. |
Approved |
Most recent IF: 3.302 |
|
|
Call Number |
PLASMANT @ plasmant @ c:irua:144429 |
Serial |
4614 |
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Permanent link to this record |
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Author |
Yusupov, M.; Neyts, E.C.; Khalilov, U.; Snoeckx, R.; van Duin, A.C.T.; Bogaerts, A. |
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Title |
Atomic-scale simulations of reactive oxygen plasma species interacting with bacterial cell walls |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
|
|
Volume |
14 |
Issue |
9 |
Pages |
093043 |
|
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In recent years there has been growing interest in the use of low-temperature atmospheric pressure plasmas for biomedical applications. Currently, however, there is very little fundamental knowledge regarding the relevant interaction mechanisms of plasma species with living cells. In this paper, we investigate the interaction of important plasma species, such as O3, O2 and O atoms, with bacterial peptidoglycan (or murein) by means of reactive molecular dynamics simulations. Specifically, we use the peptidoglycan structure to model the gram-positive bacterium Staphylococcus aureus murein. Peptidoglycan is the outer protective barrier in bacteria and can therefore interact directly with plasma species. Our results demonstrate that among the species mentioned above, O3 molecules and especially O atoms can break important bonds of the peptidoglycan structure (i.e. CO, CN and CC bonds), which subsequently leads to the destruction of the bacterial cell wall. This study is important for gaining a fundamental insight into the chemical damaging mechanisms of the bacterial peptidoglycan structure on the atomic scale. |
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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 |
Bristol |
Editor |
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Language |
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Wos |
000309393400001 |
Publication Date |
2012-09-27 |
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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 |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.786 |
Times cited |
47 |
Open Access |
|
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|
Notes |
|
Approved |
Most recent IF: 3.786; 2012 IF: 4.063 |
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|
Call Number |
UA @ lucian @ c:irua:101014 |
Serial |
189 |
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Permanent link to this record |
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Author |
Chekol Zewdie, M. |
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Title |
How irrigation water impacts Ethiopian agriculture : an applied economics study |
Type |
Doctoral thesis |
|
Year |
2021 |
Publication |
|
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
xiv, 152 p. |
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Keywords |
Doctoral thesis; Economics; Engineering Management (ENM) |
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Abstract |
In recent decades, as crop production has increased in many areas where irrigation projects have been implemented, the global agricultural development community has promoted irrigation investments. However, due to the disappointing performance of irrigation farming in developing countries, irrigation intervention in Africa South of the Sahara including Ethiopia is an issue of debate. Moreover, several gaps exist in the Ethiopian irrigation farming literature. For instance, evidence about the direct and indirect effects of irrigation water on agriculture is not well documented. The irrigation farming literature has not disentangled the indirect effects of having access to irrigation water from the direct effect and the indirect effects have been underrepresented. Furthermore, most previous studies have applied either a quantitative or qualitative approach and have relied only on revealed data as main type of methodology, making studies that combine qualitative and quantitative research and that use both stated and revealed data underrepresented. In this study, different approaches have been applied to investigate how irrigation water impacts Ethiopia agriculture with special attention being given to disentangling the direct and indirect effects of irrigation water on Ethiopian agriculture. Using a structural equation model, a stochastic production frontier approach, and a discrete choice experiment, I drew evidence regarding the direct and indirect effects of irrigation water on crop revenue of smallholder farmers, the technical efficiency of irrigation user farmers, and the farmers’ willingness to pay to improve poor irrigation schemes from field observations, semi-structured interviews and focus group discussions with farmers, and key informant interviews with the local agricultural agents from the Koga and Fogera Districts of Amhara Region Ethiopia. The results indicate that irrigation water in general has both direct and indirect positive effects on agriculture, and the indirect effect is mediated by both improved farm inputs and the type of crops produced. The results also show that – due to poor extension services and backward agronomic practices, the mean technical efficiency of farmers in Ethiopia is very low, and that large-scale irrigation users are less technically efficient than small-scale irrigation users. Moreover, the results show that improving irrigation schemes shifts the frontier up, and smallholder farmers are strongly willing to contribute financially to the maintenance costs of irrigation schemes. The results offer relevant lessons for policymakers that providing irrigation water supply must be embedded in a comprehensive support package including access to extension services, improved input supply, and access to stable markets. |
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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 |
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Publication Date |
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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 |
978-90-5728-700-8 |
Additional Links |
UA library record |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
|
Approved |
Most recent IF: NA |
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|
Call Number |
UA @ admin @ c:irua:180816 |
Serial |
6928 |
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Permanent link to this record |
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Author |
Larrain, M.; Van Passel, S.; Thomassen, G.; Kresovic, U.; Alderweireldt, N.; Moerman, E.; Billen, P. |
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Title |
Economic performance of pyrolysis of mixed plastic waste: Open-loop versus closed-loop recycling |
Type |
A1 Journal Article |
|
Year |
2020 |
Publication |
Journal Of Cleaner Production |
Abbreviated Journal |
J Clean Prod |
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Volume |
|
Issue |
|
Pages |
122442 |
|
|
Keywords |
A1 Journal Article; Engineering Management (ENM) ; |
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|
Abstract |
In recent decades new recycling technologies for mixed plastic waste have emerged. In pyrolysis, the polymer chains are thermally broken (pyrolyzed) to obtain hydrocarbon materials of different molecular weights such as naphtha, oil or waxes, whose yields can be controlled by varying the reaction parameters. Naphtha represents a closed-loop recycling process as it is a feedstock for (poly)olefins; while the co-production of waxes, having several applications in e.g. the construction industry, exemplifies an open-loop recycling process. This paper compares the economic performance of the pyrolysis of mixed polyolefin waste in a closed-loop and open-loop scheme, including a probabilistic approach to the most important variables. From an economic perspective, open-loop pyrolysis as presented outperforms closed-loop recycling, due to the high prices of wax. However, the results present a high dispersion caused by the volatility of the prices of crude oil and its derivates. Considering the current oil price projections, our case study analysis showed that for open-loop recycling there is a future probability of almost a 98 % of observing positive results and around 57 % of probability in the case of closed-loop recycling, under the assumptions made. Yet, in a future scenario where decarbonized electricity would decrease oil prices, the probability of a positive outcome reduces to 57 % for the open-loop case and to less than 8 % in the case of closed-loop recycling. To make these pathways attractive to investors, the nameplate capacity should be at least 70 kt/year for open-loop recycling and 115 kt/year for closed-loop recycling. A 120 kt/year plant should operate minimally at 80 % of its capacity for open-loop recycling, while closed-loop recycling would demand running close to maximum capacity. Security of feedstock supply therefore is required. |
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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 |
000579071300078 |
Publication Date |
2020-05-28 |
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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 |
0959-6526 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
11.1 |
Times cited |
|
Open Access |
|
|
|
Notes |
This work was supported by the VLAIO Catalisti-ICON project MATTER (Mechanical and Thermochemical Recycling of mixed plastic waste; project HBC.2018.0262). |
Approved |
Most recent IF: 11.1; 2020 IF: 5.715 |
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Call Number |
ENM @ enm @c:irua:170005 |
Serial |
6385 |
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Permanent link to this record |
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Author |
Larrain, M.; Van Passel, S.; Thomassen, G.; Kresovic, U.; Alderweireldt, N.; Moerman, E.; Billen, P. |
|
|
Title |
Economic performance of pyrolysis of mixed plastic waste: Open-loop versus closed-loop recycling |
Type |
A1 Journal Article |
|
Year |
2020 |
Publication |
Journal Of Cleaner Production |
Abbreviated Journal |
J Clean Prod |
|
|
Volume |
|
Issue |
|
Pages |
122442 |
|
|
Keywords |
A1 Journal Article; Engineering Management (ENM) ; |
|
|
Abstract |
In recent decades new recycling technologies for mixed plastic waste have emerged. In pyrolysis, the polymer chains are thermally broken (pyrolyzed) to obtain hydrocarbon materials of different molecular weights such as naphtha, oil or waxes, whose yields can be controlled by varying the reaction parameters. Naphtha represents a closed-loop recycling process as it is a feedstock for (poly)olefins; while the co-production of waxes, having several applications in e.g. the construction industry, exemplifies an open-loop recycling process. This paper compares the economic performance of the pyrolysis of mixed polyolefin waste in a closed-loop and open-loop scheme, including a probabilistic approach to the most important variables. From an economic perspective, open-loop pyrolysis as presented outperforms closed-loop recycling, due to the high prices of wax. However, the results present a high dispersion caused by the volatility of the prices of crude oil and its derivates. Considering the current oil price projections, our case study analysis showed that for open-loop recycling there is a future probability of almost a 98 % of observing positive results and around 57 % of probability in the case of closed-loop recycling, under the assumptions made. Yet, in a future scenario where decarbonized electricity would decrease oil prices, the probability of a positive outcome reduces to 57 % for the open-loop case and to less than 8 % in the case of closed-loop recycling. To make these pathways attractive to investors, the nameplate capacity should be at least 70 kt/year for open-loop recycling and 115 kt/year for closed-loop recycling. A 120 kt/year plant should operate minimally at 80 % of its capacity for open-loop recycling, while closed-loop recycling would demand running close to maximum capacity. Security of feedstock supply therefore is required. |
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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 |
000579071300078 |
Publication Date |
2020-05-28 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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ISSN |
0959-6526 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.1 |
Times cited |
|
Open Access |
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|
Notes |
This work was supported by the VLAIO Catalisti-ICON project MATTER (Mechanical and Thermochemical Recycling of mixed plastic waste; project HBC.2018.0262). |
Approved |
Most recent IF: 11.1; 2020 IF: 5.715 |
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Call Number |
ENM @ enm @c:irua:170005 |
Serial |
6386 |
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Permanent link to this record |
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Author |
Duarte-Neto, P.; Stosic, B.; Stosic, T.; Lessa, R.; Milošević, M.V.; Stanley, H.E. |
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Title |
Multifractal properties of a closed contour : a peek beyond the shape analysis |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
PLoS ONE |
Abbreviated Journal |
Plos One |
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Volume |
9 |
Issue |
12 |
Pages |
e115262 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
In recent decades multifractal analysis has been successfully applied to characterize the complex temporal and spatial organization of such diverse natural phenomena as heartbeat dynamics, the dendritic shape of neurons, retinal vessels, rock fractures, and intricately shaped volcanic ash particles. The characterization of multifractal properties of closed contours has remained elusive because applying traditional methods to their quasi-one-dimensional nature yields ambiguous answers. Here we show that multifractal analysis can reveal meaningful and sometimes unexpected information about natural structures with a perimeter well-defined by a closed contour. To this end, we demonstrate how to apply multifractal detrended fluctuation analysis, originally developed for the analysis of time series, to an arbitrary shape of a given study object. In particular, we show the application of the method to fish otoliths, calcareous concretions located in fish's inner ear. Frequently referred to as the fish's “black box”, they contain a wealth of information about the fish's life history and thus have recently attracted increasing attention. As an illustrative example, we show that a multifractal approach can uncover unexpected relationships between otolith contours and size and age of fish at maturity. |
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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 |
000347239900030 |
Publication Date |
2014-12-26 |
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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 |
1932-6203; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
2.806 |
Times cited |
6 |
Open Access |
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|
Notes |
; Funding: This work was supported by CNPq, Brazil (Projects No. 201506/2011-4, No. 303251/2010-7, and No. 306719/2012-6). MVM acknowledges support from Flemish Science Foundation (FWO-Vlaanderen) and CAPES PVE action No. BEX1392/ 11-5. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. ; |
Approved |
Most recent IF: 2.806; 2014 IF: 3.234 |
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Call Number |
UA @ lucian @ c:irua:123770 |
Serial |
2218 |
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Permanent link to this record |
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Author |
Martinez, G.T.; van den Bos, K.H.W.; Alania, M.; Nellist, P.D.; Van Aert, S. |
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Title |
Thickness dependence of scattering cross-sections in quantitative scanning transmission electron microscopy |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
187 |
Issue |
|
Pages |
84-92 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
In quantitative scanning transmission electron microscopy (STEM), scattering cross-sections have been shown to be very sensitive to the number of atoms in a column and its composition. They correspond to the integrated intensity over the atomic column and they outperform other measures. As compared to atomic column peak intensities, which saturate at a given thickness, scattering cross-sections increase monotonically. A study of the electron wave propagation is presented to explain the sensitivity of the scattering cross-sections. Based on the multislice algorithm, we analyse the wave propagation inside the crystal and its link to the scattered signal for the different probe positions contained in the scattering cross-section for detector collection in the low-, middle- and high-angle regimes. The influence to the signal from scattering of neighbouring columns is also discussed. |
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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 |
000428131200011 |
Publication Date |
2018-01-31 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
4 |
Open Access |
Not_Open_Access: Available from 01.02.2020
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Notes |
The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings ( G.0374.13N , G.0369.15N , G.0368.15N and WO.010.16N ) and a PhD grant to K.H.W.v.d.B. The research leading to these results has received funding from the European Union 7th Framework Programme [ FP7 /2007-2013] under Grant agreement no. 312483 (ESTEEM2). The authors are grateful to A. Rosenauer for providing access to the StemSim software. |
Approved |
Most recent IF: 2.843 |
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Call Number |
EMAT @ emat @c:irua:149384 |
Serial |
4809 |
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Permanent link to this record |
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Author |
Brosens, F.; Magnus, W. |
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Title |
Carrier transport in nanodevices: revisiting the Boltzmann and Wigner distribution functions |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
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Volume |
246 |
Issue |
7 |
Pages |
1656-1661 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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Abstract |
In principle, transport of charged carriers in nanometer sized solid-state devices can be fully characterized once the non-equilibrium distribution function describing the carrier ensemble is known. In this light, we have revisited the Boltzmann and the Wigner distribution functions and the framework in which they emerge from the classical respectively quantum mechanical Liouville equation. We have assessed the method of the characteristic curves as a potential workhorse to solve the time dependent Boltzmann equation for carriers propagating through spatially non-uniform systems, such as nanodevices. In order to validate the proposed solution strategy, we numerically solve the Boltzmann equation for a one-dimensional conductor mimicking the basic features of a biased low-dimensional transistor operating in the on-state. Finally, we propose a computational scheme capable of extending the benefits of the above mentioned solution strategy when it comes to solve the Wigner-Liouville equation. |
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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 |
Berlin |
Editor |
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Language |
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Wos |
000268659100033 |
Publication Date |
2009-04-22 |
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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 |
0370-1972;1521-3951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.674 |
Times cited |
8 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.674; 2009 IF: 1.150 |
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Call Number |
UA @ lucian @ c:irua:77953 |
Serial |
284 |
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Permanent link to this record |
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Author |
Kumar, M.; Sengupta, A.; Kummamuru, N.B. |
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Title |
Molecular simulations for carbon dioxide capture in silica slit pores |
Type |
A3 Journal article |
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Year |
2023 |
Publication |
Materials Today: Proceedings |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-9 |
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Keywords |
A3 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
In present work, we have performed the Grand Canonical Monte Carlo (GCMC) simulations to quantify CO2 capture inside porous silica at high operating temperatures of 673.15 K and 873.15 K; and over a operating pressure range of 500 kPa – 4000 kPa that are methane steam reforming process parameters. Related chemical potential values at these thermodynamic conditions are obtained from the bulk phase simulations in the Canonical ensemble in conjunction with Widom’s insertion technique, where the CO2 has been accurately represented by TraPPE force field. Present structure of the porous silica is a single slit pore geometry of various heights (H = 20 Å, 31.6 Å, 63.2 Å and 126.5 Å), dimensions in which possible vapour-liquid equilibria for generic square well fluids has been reported in literature. Estimation of the pore-fluid interactions show a higher interaction between silica pore and adsorbed CO2 compared to the reported pore-fluid interactions between homogeneous carbon slit pore and adsorbed CO2; thus resulting in an enhancement of adsorption inside silica pores of H = 20 Å and H = 126.5 Å, which are respectively 3.5 times and 1.5 times higher than that in homogeneous carbon slit pores of same dimensions and at 673.15 K and 500 kPa. Estimated local density plots indicate the presence of structured layers due to more molecular packing, which confirms possible liquid-like and vapour-like phase coexistence of the supercritical bulk phase CO2 under confinement. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Language |
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Wos |
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Publication Date |
2023-05-06 |
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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 |
2214-7853 |
ISBN |
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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 |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:200944 |
Serial |
9058 |
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Permanent link to this record |
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Author |
Kirsanova, M.A.; De Sloovere, D.; Karakulina, O.M.; Hadermann, J.; Van Bael, M.K.; Hardy, A.; Abakumov, A.M. |
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Title |
Toward unlocking the Mn3+/Mn2+ redox pair in alluaudite-type Na2+2zMn2-z(SO4)3-x(SeO4)x cathodes for sodium-ion batteries |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
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Volume |
277 |
Issue |
277 |
Pages |
804-810 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
In polyanion cathodes, the inductive effect alters the potential of a M(n+1)+/Mn+ redox couple (M – transition metal) according to the electronegativity of the X cation in the polyanion groups (XO4m+). To manipulate the operating potential, we synthesized a series of mixed sulfate-selenate alluaudites, with structure formulas Na2+2zMn2-z(SO4)(3-x)(SeO4)(x) and Na2.81Ni1.60(SO4)(1.43)(SeO4)(1.57). Their crystal structure was determined from powder X-ray diffraction data, revealing that the Mn-based alluaudites form solid solutions with the same crystal structure for x = 0.75; 1.125 and 1.5. Na2.81Ni1.60(SO4)(1.43)(SeO4)(1.57) is isostructural to the Mn-based alluaudites. Although the Na2+2zMn2-z(SO4)(3-x)(SeO4)(x) compound with the highest selenium content demonstrates a reversible discharge capacity of 60 mAh g(-1), only a small part of this electrochemical activity can be ascribed to the Mn3+/Mn2+ redox couple. The redox potential of the Mn3+/Mn2+ pair in Na2+2zMn2-z(SO4)(3-)x(SeO4)(x) decreases with increasing values of x, in agreement with the lower electronegativity of Se compared to that of S. |
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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 |
000481726300103 |
Publication Date |
2019-07-24 |
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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 |
0022-4596 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.299 |
Times cited |
|
Open Access |
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Notes |
; The authors thank the Russian Foundation for Basic Research for financial support (grant 17-03-00370), in addition to Research Foundation-Flanders (project No G040116). ; |
Approved |
Most recent IF: 2.299 |
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Call Number |
UA @ admin @ c:irua:162852 |
Serial |
5401 |
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Permanent link to this record |
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Author |
van Thiel, T. c.; Brzezicki, W.; Autieri, C.; Hortensius, J. r.; Afanasiev, D.; Gauquelin, N.; Jannis, D.; Janssen, N.; Groenendijk, D. j.; Fatermans, J.; Van Aert, S.; Verbeeck, J.; Cuoco, M.; Caviglia, A. d. |
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Title |
Coupling Charge and Topological Reconstructions at Polar Oxide Interfaces |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Physical Review Letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
127 |
Issue |
12 |
Pages |
127202 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
In oxide heterostructures, different materials are integrated into a single artificial crystal, resulting in a breaking of inversion symmetry across the heterointerfaces. A notable example is the interface between polar and nonpolar materials, where valence discontinuities lead to otherwise inaccessible charge and spin states. This approach paved the way for the discovery of numerous unconventional properties absent in the bulk constituents. However, control of the geometric structure of the electronic wave functions in correlated oxides remains an open challenge. Here, we create heterostructures consisting of ultrathin SrRuO3, an itinerant ferromagnet hosting momentum-space sources of Berry curvature, and
LaAlO3, a polar wide-band-gap insulator. Transmission electron microscopy reveals an atomically sharp LaO/RuO2/SrO interface configuration, leading to excess charge being pinned near the LaAlO3/SrRuO3 interface. We demonstrate through magneto-optical characterization, theoretical calculations and transport measurements that the real-space charge reconstruction drives a reorganization of the topological charges in the band structure, thereby modifying the momentum-space Berry curvature in SrRuO3. Our results illustrate how the topological and magnetic features of oxides can be manipulated by engineering charge discontinuities at oxide interfaces. |
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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 |
000704665000010 |
Publication Date |
2021-09-16 |
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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 |
0031-9007 |
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 |
17 |
Open Access |
OpenAccess |
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Notes |
The authors thank E. Lesne, M. Lee, H. Barakov, M. Matthiesen and U. Filippozzi for discussions. The authors are grateful to E.J.S. van Thiel for producing the illustration in Fig. 4a. This work was supported by the European Research Council under the European Unions Horizon 2020 programme/ERC Grant agreements No. [677458], [770887] and No. [731473] (Quantox of QuantERA ERA-NET Cofund in Quantum Technologies) and by the Netherlands Organisation for Scientific Research (NWO/OCW) as part of the Frontiers of Nanoscience (NanoFront) and VIDI program. The authors acknowledge funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No. [823717] – ESTEEM3. N. G., J. V., and S. V. A. acknowledge funding from the University of Antwerp through the Concerted Research Actions (GOA) project Solarpaint and the TOP project. C. A. and W. B. are supported by the Foundation for Polish Science through the International Research Agendas program co-financed by the European Union within the Smart Growth Operational Programme. C. A. acknowledges access to the computing facilities of the Interdisciplinary Center of Modeling at the University of Warsaw, Grant No. G73-23 and G75-10. W.B. acknowledges support from the Narodowe Centrum Nauk (NCN, National Science Centre, Poland) Project No. 2019/34/E/ST3/00404'; esteem3TA; esteem3reported |
Approved |
Most recent IF: 8.462 |
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Call Number |
EMAT @ emat @c:irua:182595 |
Serial |
6824 |
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Permanent link to this record |
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Author |
Wang, X.; Kustov, S.; Li, K.; Schryvers, D.; Verlinden, B.; Van Humbeeck, J. |
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Title |
Effect of nanoprecipitates on the transformation behavior and functional properties of a Ti50.8 at.% Ni alloy with micron-sized grains |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
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Volume |
82 |
Issue |
82 |
Pages |
224-233 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
In order to take advantage of both grain refinement and precipitation hardening effects, nanoscaled Ni4Ti3 precipitates are introduced in a Ti50.8 at.% Ni alloy with micron-sized grains (average grain size of 1.7 μm). Calorimetry, electrical resistance studies and thermomechanical tests were employed to study the transformation behavior and functional properties in relation to the obtained microstructure. A significant suppression of martensite transformation by the obtained microstructure is observed. The thermomechanical tests show that the advantageous properties of both grain refinement and precipitation hardening are combined in the developed materials, resulting in superior shape memory characteristics and stability of pseudoelasticity. It is concluded that introducing nanoscaled Ni4Ti3 precipitates into small grains is a new approach to improve the functional properties of NiTi shape memory alloys. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000347017800021 |
Publication Date |
2014-10-04 |
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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 |
1359-6454; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.301 |
Times cited |
51 |
Open Access |
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Notes |
Fwo |
Approved |
Most recent IF: 5.301; 2015 IF: 4.465 |
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Call Number |
c:irua:120469 |
Serial |
824 |
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Permanent link to this record |
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Author |
Clauwaert, P.; Muys, M.; Alloul, A.; De Paepe, J.; Luther, A.; Sun, X.; Ilgrande, C.; Christiaens, M.E.R.; Hu, X.; Zhang, D.; Lindeboom, R.E.F.; Sas, B.; Rabaey, K.; Boon, N.; Ronsse, F.; Geelen, D.; Vlaeminck, S.E. |
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Title |
Nitrogen cycling in bioregenerative life support systems : challenges for waste refinery and food production processes |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Progress in aerospace sciences |
Abbreviated Journal |
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Volume |
91 |
Issue |
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Pages |
87-98 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
In order to sustain human life in an isolated environment, an efficient conversion of wasted nutrients to food might become mandatory. This is particularly the case for space missions where resupply from earth or in-situ resource utilization is not possible or desirable. A combination of different technologies is needed to allow full recycling of e.g. nitrogenous compounds in space. In this review, an overview is given of the different essential processes and technologies that enable closure of the nitrogen cycle in Bioregenerative Life Support Systems (BLSS). Firstly, a set of biological and physicochemical refinery stages ensures efficient conversion of waste products into the building blocks, followed by the production of food with a range of biological methods. For each technology, bottlenecks are identified. Furthermore, challenges and outlooks are presented at the integrated system level. Space adaptation and integration deserve key attention to enable the recovery of nitrogen for the production of nutritional food in space, but also in closed loop systems on earth. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Wos |
000404699800005 |
Publication Date |
2017-05-04 |
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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 |
0376-0421; 1873-1724 |
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:148996 |
Serial |
8310 |
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Permanent link to this record |
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Author |
Brito, B.G.A.; Candido, L.; Hai, G.-Q.; Peeters, F.M. |
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Title |
Quantum effects in a free-standing graphene lattice : path-integral against classical Monte Carlo simulations |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
92 |
Issue |
92 |
Pages |
195416 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In order to study quantum effects in a two-dimensional crystal lattice of a free-standing monolayer graphene, we have performed both path-integral Monte Carlo (PIMC) and classical Monte Carlo (MC) simulations for temperatures up to 2000 K. The REBO potential is used for the interatomic interaction. The total energy, interatomic distance, root-mean-square displacement of the atom vibrations, and the free energy of the graphene layer are calculated. The obtained lattice vibrational energy per atom from the classical MC simulation is very close to the energy of a three-dimensional harmonic oscillator 3k(B)T. The PIMC simulation shows that quantum effects due to zero-point vibrations are significant for temperatures T < 1000 K. The quantum contribution to the lattice vibrational energy becomes larger than that of the classical lattice for T < 400 K. The lattice expansion due to the zero-point motion causes an increase of 0.53% in the lattice parameter. A minimum in the lattice parameter appears at T similar or equal to 500 K. Quantum effects on the atomic vibration amplitude of the graphene lattice and its free energy are investigated. |
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Corporate Author |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000368095400004 |
Publication Date |
2015-11-13 |
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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 |
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 |
22 |
Open Access |
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Notes |
; This research was supported by the Brazilian agencies FAPESP, FAPEG, and CNPq, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
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Call Number |
UA @ lucian @ c:irua:131144 |
Serial |
4232 |
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Permanent link to this record |
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Author |
Rouchon, V.; Pellizzi, E.; Janssens, K. |
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Title |
FTIR techniques applied to the detection of gelatine in paper artifacts: from macroscopic to microscopic approach |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Applied physics A : materials science & processing |
Abbreviated Journal |
Appl Phys A-Mater |
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Volume |
100 |
Issue |
3 |
Pages |
663-669 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
In order to render paper hydrophobic for ink and thus adequate for writing, gelatine has been largely used. To this day, it is still employed in conservation workshops as an adhesive or a sizing agent, for instance, during the treatment of iron gall ink manuscripts. Various types and concentrations of gelatine are recommended, depending on the desired effect, but little information is available regarding to the physical distribution of gelatine in the paper. This aspect is however determinant for a better control of conservation treatments. In this work, we investigate the possibilities offered by FTIR microscopy for the measurement of the gelatine distribution in paper. Laboratory papers were preliminary treated with different types of gelatine and then embedded in a resin and cut in thin slices. Mapping techniques enable to compare the penetration of different types of gelatine in a semiquantitative way. The performance of conventional laboratory equipment and synchrotron radiation experimental setup are discussed. |
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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 |
000281317700011 |
Publication Date |
2010-04-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0947-8396 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.455 |
Times cited |
12 |
Open Access |
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Notes |
; This work was performed with the support of the Fondazione Cassa di Risparmio di Torino, who founded the postgraduate internship of Eleonora Pellizzi at the CRCC (Master dei talenti). It received the technical support of the SMIS line of the SOLEIL synchrotron (Saint Aubin, France). We are thankful to all our colleagues who helped us during our experiments: Anne Laurence Dupont for providing gelatine samples, Chakib Djediat (Museum National d'Histoire Naturelle, Paris) for his advice regarding the samples preparation, Christophe Sandt (Synchrotron SOLEIL) for his help and availability during our Beam time allocation, and Paul Dumas (Synchrotron SOLEIL) for his warm reception on the SMIS line. ; |
Approved |
Most recent IF: 1.455; 2010 IF: 1.765 |
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Call Number |
UA @ admin @ c:irua:84579 |
Serial |
5627 |
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Permanent link to this record |
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Author |
De Schouwer, F.; Claes, L.; Claes, N.; Bals, S.; Degrève, J.; De Vos, D.E. |
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Title |
Pd-catalyzed decarboxylation of glutamic acid and pyroglutamic acid to bio-based 2-pyrrolidone |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Green chemistry : cutting-edge research for a greener sustainable future |
Abbreviated Journal |
Green Chem |
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Volume |
17 |
Issue |
17 |
Pages |
2263-2270 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
In order to recycle nitrogen from nitrogen-rich waste streams, particularly protein waste, we studied the decarboxylation of pyroglutamic acid and glutamic acid in a one-pot reaction to bio-based 2-pyrrolidone. After the screening of a wide range of supported Pd and Pt catalysts, 5 wt% Pd/Al2O3 displayed the highest yield (70%) and selectivity (81%) for the decarboxylation of pyroglutamic acid in water at 250 °C and under an inert atmosphere. Side products originate from consecutive reactions of 2-pyrrolidone; different reaction pathways are proposed to explain the presence of degradation products like propionic acid, γ-hydroxybutyric acid, γ-butyrolactone and methylamine. An extensive study of the reaction parameters was performed to check their influence on selectivity and conversion. This heterogeneous catalytic system was successfully extended to the conversion of glutamic acid. |
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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 |
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Wos |
000352724200027 |
Publication Date |
2015-02-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1463-9262;1463-9270; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.125 |
Times cited |
47 |
Open Access |
OpenAccess |
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Notes |
335078 Colouratom; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); |
Approved |
Most recent IF: 9.125; 2015 IF: 8.020 |
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Call Number |
c:irua:125378 |
Serial |
2564 |
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Permanent link to this record |
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Author |
Aussems, D.U.B.; Bal, K.M.; Morgan, T.W.; van de Sanden, M.C.M.; Neyts, E.C. |
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Title |
Mechanisms of elementary hydrogen ion-surface interactions during multilayer graphene etching at high surface temperature as a function of flux |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
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Volume |
137 |
Issue |
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Pages |
527-532 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In order to optimize the plasma-synthesis and modification process of carbon nanomaterials for applications such as nanoelectronics and energy storage, a deeper understanding of fundamental hydrogengraphite/graphene interactions is required. Atomistic simulations by Molecular Dynamics have proven to be indispensable to illuminate these phenomena. However, severe time-scale limitations restrict them to very fast processes such as reflection, while slow thermal processes such as surface diffusion and molecular desorption are commonly inaccessible. In this work, we could however reach these thermal processes for the first time at time-scales and surface temperatures (1000 K) similar to high-flux plasma exposure experiments during the simulation of multilayer graphene etching by 5 eV H ions. This was achieved by applying the Collective Variable-Driven Hyperdynamics biasing technique, which extended the inter-impact time over a range of six orders of magnitude, down to a more realistic ion-flux of 1023m2s1. The results show that this not only causes a strong shift from predominant ion-to thermally induced interactions, but also significantly affects the hydrogen uptake and surface evolution. This study thus elucidates H ion-graphite/graphene interaction mechanisms and stresses the importance of including long time-scales in atomistic simulations at high surface temperatures to understand the dynamics of the ion-surface system. |
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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 |
000440661700056 |
Publication Date |
2018-05-24 |
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Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0008-6223 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.337 |
Times cited |
4 |
Open Access |
Not_Open_Access: Available from 25.05.2020
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Notes |
DIFFER is part of the Netherlands Organisation for Scientific Research (NWO). K.M.B. is funded as PhD fellow (aspirant) of the FWO-Flanders (Fund for Scientific Research-Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government e department EWI. |
Approved |
Most recent IF: 6.337 |
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Call Number |
PLASMANT @ plasmant @c:irua:152172 |
Serial |
4993 |
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Permanent link to this record |
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Author |
Bleiner, D.; Macri, M.; Gasser, P.; Sautter, V.; Maras, A. |
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Title |
FIB, TEM and LA-ICPMS investigations on melt inclusions in Martian meteorites – Analytical capabilities and geochemical insights |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Talanta : the international journal of pure and applied analytical chemistry |
Abbreviated Journal |
Talanta |
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Pages |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In order to obtain full information coverage on melt inclusions in Martian meteorites (subgroup nakhlites) complementary micro-analytical techniques were used, i.e. focused ion beam, transmission electron microscopy and laser ablation. Using focused ion beam several lamellae for transmission electron microscopy were prepared and secondary electron images of cross-sections could be acquired. Laser ablation-inductively coupled plasma mass spectrometry analyses were performed on selected inclusions to obtain mass-oriented bulk composition of inclusions at depth. The differences in composition between melt inclusions in olivine and augite crystals would suggest a xenocrystic origin for olivine. Furthermore, electron diffraction patterns clearly indicated that the SiO2-rich phase in inclusions from augite in meteorites from Northwest Africa site is re-crystallized, whereas it is still vitreous in the inclusions from Nakhla sampling site. Therefore, different post-entrapment evolutions were active for the two nakhlite meteorite sets, the Nakhla and the NWA817 set. Melt inclusions in Nakhla olivine presented alteration veins, which were presumably produced before their landing on Earth. If this is the case, this would indicate a alteration stage already on Mars with all the consequence in terms of climate history. Melt inclusions in Nakhla augite resulted unaffected by any alteration or modification following the entrapment, and therefore represent the best candidate to indicate the pristine magma composition. (c) 2005 Elsevier B.V. All rights reserved. |
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Publisher |
Pergamon |
Place of Publication |
Oxford |
Editor |
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Wos |
000235509900028 |
Publication Date |
2005-09-24 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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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 |
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Approved |
Most recent IF: 4.162; 2006 IF: 2.810 |
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Call Number |
UA @ lucian @ c:irua:95092 |
Serial |
4519 |
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Permanent link to this record |