| Records |
| Author |
Kocabas, T.; Keceli, M.; Vazquez-Mayagoitia, A.; Sevik, C. |
| Title |
Gaussian approximation potentials for accurate thermal properties of two-dimensional materials |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Nanoscale |
Abbreviated Journal |
|
| Volume |
15 |
Issue  |
19 |
Pages |
8772-8780 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Two-dimensional materials (2DMs) continue to attract a lot of attention, particularly for their extreme flexibility and superior thermal properties. Molecular dynamics simulations are among the most powerful methods for computing these properties, but their reliability depends on the accuracy of interatomic interactions. While first principles approaches provide the most accurate description of interatomic forces, they are computationally expensive. In contrast, classical force fields are computationally efficient, but have limited accuracy in interatomic force description. Machine learning interatomic potentials, such as Gaussian Approximation Potentials, trained on density functional theory (DFT) calculations offer a compromise by providing both accurate estimation and computational efficiency. In this work, we present a systematic procedure to develop Gaussian approximation potentials for selected 2DMs, graphene, buckled silicene, and h-XN (X = B, Al, and Ga, as binary compounds) structures. We validate our approach through calculations that require various levels of accuracy in interatomic interactions. The calculated phonon dispersion curves and lattice thermal conductivity, obtained through harmonic and anharmonic force constants (including fourth order) are in excellent agreement with DFT results. HIPHIVE calculations, in which the generated GAP potentials were used to compute higher-order force constants instead of DFT, demonstrated the first-principles level accuracy of the potentials for interatomic force description. Molecular dynamics simulations based on phonon density of states calculations, which agree closely with DFT-based calculations, also show the success of the generated potentials in high-temperature simulations. |
| 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 |
000976615200001 |
Publication Date |
2023-04-19 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2040-3364; 2040-3372 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.7 |
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 6.7; 2023 IF: 7.367 |
| Call Number |
UA @ admin @ c:irua:196722 |
Serial |
8873 |
| Permanent link to this record |
| |
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| |
| Author |
Sevik, C.; Bekaert, J.; Milošević, M.V. |
| Title |
Superconductivity in functionalized niobium-carbide MXenes |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Nanoscale |
Abbreviated Journal |
|
| Volume |
15 |
Issue |
19 |
Pages |
8792-8799 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
We detail the effects of Cl and S functionalization on the superconducting properties of layered (bulk) and monolayer niobium carbide (Nb2C) MXene crystals, based on first-principles calculations combined with Eliashberg theory. For bulk layered Nb2CCl2, the calculated superconducting transition temperature (T-c) is in very good agreement with the recently measured value of 6 K. We show that T-c is enhanced to 10 K for monolayer Nb2CCl2, due to an increase in the density of states at the Fermi level, and the corresponding electron-phonon coupling. We further demonstrate feasible gate- and strain-induced enhancements of T-c for both bulk-layered and monolayer Nb2CCl2 crystals, resulting in T-c values of around 38 K. In the S-functionalized Nb2CCl2 crystals, our calculations reveal the importance of phonon softening in understanding their superconducting properties. Finally, we predict that Nb3C2S2 in bulk-layered and monolayer forms is also superconducting, with a T-c of around 28 K. Considering that Nb2C is not superconducting in pristine form, our findings promote functionalization as a pathway towards robust superconductivity in MXenes. |
| 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 |
000976973900001 |
Publication Date |
2023-04-11 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2040-3364; 2040-3372 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.7 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 6.7; 2023 IF: 7.367 |
| Call Number |
UA @ admin @ c:irua:196711 |
Serial |
8938 |
| Permanent link to this record |
| |
|
| |
| Author |
Zuniga-Puelles, E.; Levytskyi, V.; Özden, A.; Guerel, T.; Bulut, N.; Himcinschi, C.; Sevik, C.; Kortus, J.; Gumeniuk, R. |
| Title |
Thermoelectric properties and scattering mechanisms in natural PbS |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Physical review B |
Abbreviated Journal |
|
| Volume |
107 |
Issue |
19 |
Pages |
195203-195215 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
X-ray diffraction and energy dispersive x-ray spectroscopic analyses showed a natural galena (PbS) crystal from Freiberg in Saxony (Germany) to be a single phase specimen [rock salt (NaCl) structure type, space group Fm3m, a = 5.932(1) angstrom] with stoichiometric composition and an enhanced dislocation density (8 approximate to 1011 cm-2). The latter parameter leads to an increase of the electrical resistivity in the high-temperature regime, as well as to the appearance of phonon resonance with a characteristic frequency coPR = 3.8(1) THz. Being in the same range (i.e., 3-5.5 THz) with the sulfur optical modes of highest group velocities, it results in a drastic reduction (by similar to 75%) of thermal conductivity (K) at lower temperatures (i.e., < 100 K), as well as in the appearance of a characteristic minimum in K at T approximate to 30 K. Furthermore, the studied galena is characterized by phonon-drag behavior and by temperature dependent switch of the charge carrier scattering mechanism regime (i.e., scattering on dislocations for T < 100 K, on acoustic phonons for 100 K < T < 170 K and on both acoustic and optical phonons for 170 K < T < 300 K). The combined theoretical calculation and optical spectroscopic study confirm this mineral to be a direct gap degenerate semiconductor. The possible origins of the second-order Raman spectrum are discussed. |
| 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 |
001009980400008 |
Publication Date |
2023-05-30 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.7 |
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 3.7; 2023 IF: 3.836 |
| Call Number |
UA @ admin @ c:irua:197808 |
Serial |
8943 |
| Permanent link to this record |
| |
|
| |
| Author |
Semenov, M.Y.; Van Grieken, R. |
| Title |
Base cation fluxes in mountain landscapes of Lake Baikal southern shore |
Type |
A1 Journal article |
| Year |
2007 |
Publication |
Communications in soil science and plant analysis |
Abbreviated Journal |
|
| Volume |
38 |
Issue |
19-20 |
Pages |
2635-2646 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
|
| 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 |
000251885800005 |
Publication Date |
2007-11-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0010-3624 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:65351 |
Serial |
7551 |
| Permanent link to this record |
| |
|
| |
| Author |
Papp, G.; Peeters, F.M. |
| Title |
Magneto-ballistic transport through micro-structured junctions on a curved two-dimensional electron gas |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
| Volume |
149 |
Issue |
19/20 |
Pages |
778-780 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We investigate theoretically the ballistic transport in a two-dimensional electron gas, which is rolled up as a tube and is micro-structured into a Hall bar. A uniform magnetic field applied to such a curved surface results in a non-uniform perpendicular magnetic field. The bend resistances become asymmetric with respect to the orientation of the magnetic field due to the varying magnetic field along the junction. The resistance asymmetry is strongly affected by corrugation due to the varying mobility along different crystallographic directions. We compare our results with a recent transport measurement. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000266149900011 |
Publication Date |
2009-03-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0038-1098; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.554 |
Times cited |
1 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.554; 2009 IF: 1.837 |
| Call Number |
UA @ lucian @ c:irua:77580 |
Serial |
1897 |
| Permanent link to this record |
| |
|
| |
| Author |
Grieb, T.; Krause, F.F.; Schowalter, M.; Zillmann, D.; Sellin, R.; Müller-Caspary, K.; Mahr, C.; Mehrtens, T.; Bimberg, D.; Rosenauer, A. |
| Title |
Strain analysis from nano-beam electron diffraction : influence of specimen tilt and beam convergence |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
| Volume |
190 |
Issue |
190 |
Pages |
45-57 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Strain analyses from experimental series of nano-beam electron diffraction (NBED) patterns in scanning transmission electron microscopy are performed for different specimen tilts. Simulations of NBED series are presented for which strain analysis gives results that are in accordance with experiment. This consequently allows to study the relation between measured strain and actual underlying strain. A two-tilt method which can be seen as lowest-order electron beam precession is suggested and experimentally implemented. Strain determination from NBED series with increasing beam convergence is performed in combination with the experimental realization of a probe-forming aperture with a cross inside. It is shown that using standard evaluation techniques, the influence of beam convergence on spatial resolution is lower than the influence of sharp rings around the diffraction disc which occur at interfaces and which are caused by the tails of the intensity distribution of the electron probe. (C) 2018 Elsevier B.V. All rights reserved. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000432868800006 |
Publication Date |
2018-04-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0304-3991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.843 |
Times cited |
1 |
Open Access |
OpenAccess |
| Notes |
; This work was supported by the German Research Foundation (DFG) under Contracts RO2057/11-1 and RO2057/12-1. ; |
Approved |
Most recent IF: 2.843 |
| Call Number |
UA @ lucian @ c:irua:151454 |
Serial |
5041 |
| Permanent link to this record |
| |
|
| |
| Author |
Wuyts, K.; Hofman, J.; van Wittenberghe, S.; Nuyts, G.; De Wael, K.; Samson, R. |
| Title |
A new opportunity for biomagnetic monitoring of particulate pollution in an urban environment using tree branches |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Atmospheric environment : an international journal |
Abbreviated Journal |
Atmos Environ |
| Volume |
190 |
Issue |
190 |
Pages |
177-187 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Environmental magnetism, and the magnetic leaf signal in particular, is amply investigated and applied as proxy for atmospheric particulate matter pollution. In this study, we investigated the magnetic signal of annual segments of tree branches, and the composition of particles deposited hereon. Branches are, contrary to leaves of deciduous trees, available during leaf-off seasons and exposed to air pollution year-round. We examined the intra- and inter-tree variation in saturation isothermal remanent magnetization (SIRM) of branch internodes of London plane (Platanus x aeerifolia Willd.) trees in an urban environment. The branch SIRM, normalized by surface area, ranged from 18 to 650 x 10(-6) angstrom; the median amounted to 106 x 10(-6) angstrom. Most of the branch magnetic signal was attributed to the epidermis or bark, and the presence of metal-containing particles on the branch surfaces was confirmed by SEM-EDX. The location of the trees and the height, the depth in the crown and the age of the branches significantly influenced the branch SIRM. The median branch SIRM was up to 135% higher near a busy ring road than in quiet environments (city park and quiet street canyon), and was linked to the presence of Fe-rich particles with co-occurrence of trace metals such as Cr, Cu, Zn and Mn on the branch surface. Within the tree crowns, the branch SIRM generally decreased with increasing height, and was 22% higher in the interior than at the periphery of the crowns. Within the branches, the SIRM increased with each year of exposure, but did not relate to year-to-year variation in particle concentrations due to branch surface changes (epidermis shedding). Our results provide indications that branches can be a valuable alternative for biomagnetic monitoring of particulate pollution, but intra-tree variability in branch SIRM can be substantial due to the branch's location in the tree and branch age. |
| 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 |
000444659400017 |
Publication Date |
2018-07-11 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1352-2310 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.629 |
Times cited |
3 |
Open Access |
|
| Notes |
; We would like to thank the city council services of the city of Antwerp for their logistical support. We are grateful to Ana Castanheiro and Leen Van Ham for laboratory and SEM assistance. JH is supported as postdoctoral fellow of the Research Foundation Flanders (FWO; 12I4816N) and SVW is supported by a Marie Sklodowska-Curie Individual Fellowship under the grant agreement no 701815 FLUOPHOT. ; |
Approved |
Most recent IF: 3.629 |
| Call Number |
UA @ admin @ c:irua:153607 |
Serial |
5454 |
| Permanent link to this record |
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| |
| Author |
Le Compte, M.; Cardenas De La Hoz, E.; Peeters, S.; Smits, E.; Lardon, F.; Roeyen, G.; Vanlanduit, S.; Prenen, H.; Peeters, M.; Lin, A.; Deben, C. |
| Title |
Multiparametric tumor organoid drug screening using widefield live-cell imaging for bulk and single-organoid analysis |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Jove-Journal Of Visualized Experiments |
Abbreviated Journal |
Jove-J Vis Exp |
| Volume |
|
Issue |
190 |
Pages |
1-18 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Center for Oncological Research (CORE) |
| Abstract |
Patient-derived tumor organoids (PDTOs) hold great promise for preclinical and translational research and predicting the patient therapy response from ex vivo drug screenings. However, current adenosine triphosphate (ATP)-based drug screening assays do not capture the complexity of a drug response (cytostatic or cytotoxic) and intratumor heterogeneity that has been shown to be retained in PDTOs due to a bulk readout. Live-cell imaging is a powerful tool to overcome this issue and visualize drug responses more in-depth. However, image analysis software is often not adapted to the three-dimensionality of PDTOs, requires fluorescent viability dyes, or is not compatible with a 384-well microplate format. This paper describes a semi-automated methodology to seed, treat, and image PDTOs in a high-throughput, 384-well format using conventional, widefield, live-cell imaging systems. In addition, we developed viability marker-free image analysis software to quantify growth rate-based drug response metrics that improve reproducibility and correct growth rate variations between different PDTO lines. Using the normalized drug response metric, which scores drug response based on the growth rate normalized to a positive and negative control condition, and a fluorescent cell death dye, cytotoxic and cytostatic drug responses can be easily distinguished, profoundly improving the classification of responders and non-responders. In addition, drug-response heterogeneity can by quantified from single-organoid drug response analysis to identify potential, resistant clones. Ultimately, this method aims to improve the prediction of clinical therapy response by capturing a multiparametric drug response signature, which includes kinetic growth arrest and cell death quantification. , |
| 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 |
000928020400010 |
Publication Date |
2022-12-24 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1940-087x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.2 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 1.2 |
| Call Number |
UA @ admin @ c:irua:193168 |
Serial |
7271 |
| Permanent link to this record |
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| |
| Author |
Drozhzhin, O.A.; Sumanov, V.D.; Karakulina, O.M.; Abakumov, A.M.; Hadermann, J.; Baranov, A.N.; Stevenson, K.J.; Antipov, E.V. |
| Title |
Switching between solid solution and two-phase regimes in the Li1-xFe1-yMnyPO4 cathode materials during lithium (de)insertion: combined PITT, in situ XRPD and electron diffraction tomography study |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Electrochimica acta |
Abbreviated Journal |
Electrochim Acta |
| Volume |
191 |
Issue |
191 |
Pages |
149-157 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The electrochemical properties and phase transformations during (de)insertion of Li+ in LiFePO4, LiFe0.9Mn0.1PO4 and LiFe0.5Mn0.5PO4 are studied by means of galvanostatic cycling, potential intermittent titration technique (PITT) and in situ X-ray powder diffraction. Different modes of switching between the solid solution and two-phase regimes are revealed which are influenced by the Mn content in Li1-xFe1-yMnyPO4. Additionally, an increase in electrochemical capacity with the Mn content is observed at high rates of galvanostatic cycling (10C, 20C), which is in good agreement with the numerically estimated contribution of the solid solution mechanism determined from PITT data. The observed asymmetric behavior of the phase transformations in Li1-xFe0.5Mn0.5PO4 during charge and discharge is discussed. For the first time, the crystal structures of electrochemically deintercalated Li1-xFe0.5Mn0.5PO4 with different Li content – LiFe0.5Mn0.5PO4, Li0.5Fe0.5Mn0.5PO4 and Li0.1Fe0.5Mn0.5PO4 – are refined, including the occupancy factors of the Li position. This refinement is done using electron diffraction tomography data. The crystallographic analyses of Li1-xFe0.5Mn0.5PO4 reveal that at x = 0.5 and 0.9 the structure retains the Pnma symmetry and the main motif of the pristine x = 0 structure without noticeable short range order effects. |
| 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 |
000371143200018 |
Publication Date |
2016-01-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0013-4686 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.798 |
Times cited |
27 |
Open Access |
|
| Notes |
This work was supported by the Russian Foundation of Basic Research (grants No. 14-29-04064 and 14-03-31473), Skolkovo Institute of Science and Technology, and the Lomonosov Moscow State University Program of Development. J. Hadermann, O. M. Karakulina and A. M. Abakumov acknowl- edge support from FWO under grant G040116N. |
Approved |
Most recent IF: 4.798 |
| Call Number |
c:irua:131911 |
Serial |
4032 |
| Permanent link to this record |
| |
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| |
| Author |
Reguera, J.; Jiménez de Aberasturi, D.; Naomi Winckelmans, N.; Langer, J.; Bals, S.; Liz-Marzan, L.M. |
| Title |
Synthesis of Janus plasmonic-magnetic, star-sphere nanoparticles, and their application in SERS detection |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Faraday discussions |
Abbreviated Journal |
Faraday Discuss |
| Volume |
191 |
Issue |
191 |
Pages |
47-59 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Multicomponent nanoparticles are of particular interest due to a unique combination of properties at the nanoscale, which make them suitable for a wide variety of applications. Among them, Janus nanoparticles, presenting two distinct surface regions, can lead to specific interactions with interfaces, biomolecules, membranes etc. We report the synthesis of Janus nanoparticles comprising iron oxide nanospheres and gold nanostars, through two consecutive seed-mediated-growth steps. Electron tomography combining HAADF-STEM and EDX mapping has been performed to evaluate the spatial distribution of the two components of the nanoparticle, showing their clear separation in a Janus morphology. Additionally, SERS measurements assisted by magnetic separation were carried out to assess the application of combined plasmonic and magnetic properties for sensing. |
| 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 |
000385257300003 |
Publication Date |
2016-03-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1359-6640 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.588 |
Times cited |
53 |
Open Access |
OpenAccess |
| Notes |
This work has been funded by the European Research Council (ERC Advanced Grant #267867, Plasmaquo). N.W. and S.B. acknowledge funding by the European Research Council (ERC Starting Grant #335078, Colouratom).; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); |
Approved |
Most recent IF: 3.588 |
| Call Number |
c:irua:132891 |
Serial |
4060 |
| Permanent link to this record |
| |
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| |
| Author |
Barbier, M.; Vasilopoulos, P.; Peeters, F.M. |
| Title |
Single-layer and bilayer graphene superlattices: collimation, additional Dirac points and Dirac lines |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Philosophical transactions of the Royal Society : mathematical, physical and engineering sciences |
Abbreviated Journal |
Philos T R Soc A |
| Volume |
368 |
Issue |
1932 |
Pages |
5499-5524 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We review the energy spectrum and transport properties of several types of one-dimensional superlattices (SLs) on single-layer and bilayer graphene. In single-layer graphene, for certain SL parameters an electron beam incident on an SL is highly collimated. On the other hand, there are extra Dirac points generated for other SL parameters. Using rectangular barriers allows us to find analytical expressions for the location of new Dirac points in the spectrum and for the renormalization of the electron velocities. The influence of these extra Dirac points on the conductivity is investigated. In the limit of δ-function barriers, the transmission T through and conductance G of a finite number of barriers as well as the energy spectra of SLs are periodic functions of the dimensionless strength P of the barriers, Graphic, with vF the Fermi velocity. For a KronigPenney SL with alternating sign of the height of the barriers, the Dirac point becomes a Dirac line for P = π/2+nπ with n an integer. In bilayer graphene, with an appropriate bias applied to the barriers and wells, we show that several new types of SLs are produced and two of them are similar to type I and type II semiconductor SLs. Similar to single-layer graphene SLs, extra Dirac points are found in bilayer graphene SLs. Non-ballistic transport is also considered. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000283660000011 |
Publication Date |
2010-11-01 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1364-503X;1471-2962; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.97 |
Times cited |
64 |
Open Access |
|
| Notes |
; This work was supported by IMEC, the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP) and the Canadian NSERC through grant no. OGP0121756. ; |
Approved |
Most recent IF: 2.97; 2010 IF: 2.459 |
| Call Number |
UA @ lucian @ c:irua:85597 |
Serial |
3023 |
| Permanent link to this record |
| |
|
| |
| Author |
Vanrenterghem, B.; Papaderakis, A.; Sotiropoulos, S.; Tsiplakides, D.; Balomenou, S.; Bals, S.; Breugelmans, T. |
| Title |
The reduction of benzylbromide at Ag-Ni deposits prepared by galvanic replacement |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Electrochimica acta |
Abbreviated Journal |
Electrochim Acta |
| Volume |
196 |
Issue |
196 |
Pages |
756-768 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
| Abstract |
A two-step procedure was applied to prepare bimetallic Ag-Ni glassy carbon supported catalysts (Ag-Ni/GC). First Ni layers were prepared by means of electrodeposition in an aqueous deaerated nickel chloride + nickel sulfamate + boric acid solution. Second, the partial replacement of Ni layers by Ag was achieved upon immersion of the latter in solutions containing silver nitrate. Three different pretreatment protocols were used after preparation of the Ag/Ni deposits; as prepared, cathodised in alkali and scanned in acid. After the pretreatment the surface was characterised by means of spectroscopy techniques (scanning electron microscopy and energy dispersive x-ray) and electrochemically in an alkali NaOH solution through cyclic voltammetry (CV). Afterwards the modified electrodes were tested for the reduction of benzylbromide in acetonitrile solutions by using CV and were found to show improved activity compared to bulk Ag electrode. The highest activity towards benzylbromide reduction was observed for pre-cathodised Ag-Ni electrodes. A final stage of the research focuses on the development of a practical Ag/Ni foam catalyst for the reduction of benzylbromide. Due to the high electrochemical active surface area of Ag/Ni foam, a higher conversion of benzyl bromide was obtained in comparison with bulk Ag. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000372877400083 |
Publication Date |
2016-03-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0013-4686 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.798 |
Times cited |
21 |
Open Access |
OpenAccess |
| Notes |
The quanta 250 FEG microscope of the Electron Microscopy for Material Science group at the University of Antwerp was funded by the Hercules foundation of the Flemish government. Sara Bals acknowledges financial support from European Research Council (ERC Starting Grant #335078-COLOURATOMS).; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); |
Approved |
Most recent IF: 4.798 |
| Call Number |
c:irua:132081 |
Serial |
4065 |
| Permanent link to this record |
| |
|
| |
| Author |
Pennycook, T.J.; Martinez, G.T.; Nellist, P.D.; Meyer, J.C. |
| Title |
High dose efficiency atomic resolution imaging via electron ptychography |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
| Volume |
196 |
Issue |
196 |
Pages |
131-135 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Radiation damage places a fundamental limitation on the ability of microscopy to resolve many types of materials at high resolution. Here we evaluate the dose efficiency of phase contrast imaging with electron ptychography. The method is found to be far more resilient to temporal incoherence than conventional and spherical aberration optimized phase contrast imaging, resulting in significantly greater clarity at a given dose. This robustness is explained by the presence of achromatic lines in the four dimensional ptychographic dataset. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000451180800018 |
Publication Date |
2018-10-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0304-3991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.843 |
Times cited |
1 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.843 |
| Call Number |
UA @ admin @ c:irua:165939 |
Serial |
6301 |
| Permanent link to this record |
| |
|
| |
| Author |
Arsoski, V.V.; Čukarić, N.A.; Tadic, M.Z.; Peeters, F.M. |
| Title |
An efficient finite-difference scheme for computation of electron states in free-standing and core-shell quantum wires |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Computer physics communications |
Abbreviated Journal |
Comput Phys Commun |
| Volume |
197 |
Issue |
197 |
Pages |
17-26 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The electron states in axially symmetric quantum wires are computed by means of the effective-mass Schrodinger equation, which is written in cylindrical coordinates phi, rho, and z. We show that a direct discretization of the Schrodinger equation by central finite differences leads to a non-symmetric Hamiltonian matrix. Because diagonalization of such matrices is more complex it is advantageous to transform it in a symmetric form. This can be done by the Liouville-like transformation proposed by Rizea et al. (2008), which replaces the wave function psi(rho) with the function F(rho) = psi(rho)root rho and transforms the Hamiltonian accordingly. Even though a symmetric Hamiltonian matrix is produced by this procedure, the computed wave functions are found to be inaccurate near the origin, and the accuracy of the energy levels is not very high. In order to improve on this, we devised a finite-difference scheme which discretizes the Schrodinger equation in the first step, and then applies the Liouville-like transformation to the difference equation. Such a procedure gives a symmetric Hamiltonian matrix, resulting in an accuracy comparable to the one obtained with the finite element method. The superior efficiency of the new finite-difference scheme (FDM) is demonstrated for a few p-dependent one-dimensional potentials which are usually employed to model the electron states in free-standing and core shell quantum wires. The new scheme is compared with the other FDM schemes for solving the effective-mass Schrodinger equation, and is found to deliver energy levels with much smaller numerical error for all the analyzed potentials. It also gives more accurate results than the scheme of Rizea et al., except for the ground state of an infinite rectangular potential in freestanding quantum wires. Moreover, the PT symmetry is invoked to explain similarities and differences between the considered FDM schemes. (C) 2015 Elsevier B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000362919500003 |
Publication Date |
2015-08-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0010-4655 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.936 |
Times cited |
4 |
Open Access |
|
| Notes |
; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia (project III 45003) and the Fonds Wetenschappelijk Onderzoek (Belgium). ; |
Approved |
Most recent IF: 3.936; 2015 IF: 3.112 |
| Call Number |
UA @ lucian @ c:irua:129412 |
Serial |
4139 |
| Permanent link to this record |
| |
|
| |
| Author |
Susi, T.; Madsen, J.; Ludacka, U.; Mortensen, J.J.; Pennycook, T.J.; Lee, Z.; Kotakoski, J.; Kaiser, U.; Meyer, J.C. |
| Title |
Efficient first principles simulation of electron scattering factors for transmission electron microscopy |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
| Volume |
197 |
Issue |
197 |
Pages |
16-22 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Electron microscopy is a powerful tool for studying the properties of materials down to their atomic structure. In many cases, the quantitative interpretation of images requires simulations based on atomistic structure models. These typically use the independent atom approximation that neglects bonding effects, which may, however, be measurable and of physical interest. Since all electrons and the nuclear cores contribute to the scattering potential, simulations that go beyond this approximation have relied on computationally highly demanding all-electron calculations. Here, we describe a new method to generate ab initio electrostatic potentials when describing the core electrons by projector functions. Combined with an interface to quantitative image simulations, this implementation enables an easy and fast means to model electron scattering. We compare simulated transmission electron microscopy images and diffraction patterns to experimental data, showing an accuracy equivalent to earlier all-electron calculations at a much lower computational cost. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000456311700003 |
Publication Date |
2018-11-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0304-3991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.843 |
Times cited |
3 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.843 |
| Call Number |
UA @ admin @ c:irua:165938 |
Serial |
6296 |
| Permanent link to this record |
| |
|
| |
| Author |
Caratelli, D.; Gielis, J.; Tavkhelidze, I.; Ricci, P.E. |
| Title |
Spherical harmonic solution of the Robin problem for the Helmholtz equation in a supershaped shell |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Applied mathematics |
Abbreviated Journal |
|
| Volume |
4 |
Issue |
1a |
Pages |
263-270 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
The Robin problem for the Helmholtz equation in normal-polar shells is addressed by using a suitable spherical harmonic expansion technique. Attention is in particular focused on the wide class of domains whose boundaries are defined by a generalized version of the so-called superformula introduced by Gielis. A dedicated numerical procedure based on the computer algebra system Mathematica? is developed in order to validate the proposed methodology. In this way, highly accurate approximations of the solution, featuring properties similar to the classical ones, are obtained. |
| Address |
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| Corporate Author |
|
Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
|
Publication Date |
2013-01-30 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2152-7385 |
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:107177 |
Serial |
8576 |
| Permanent link to this record |
| |
|
| |
| Author |
Vávra, O.; Gaži, S.; Golubović, D.S.; Vávra, I.; Dérer, J.; Verbeeck, J.; Van Tendeloo, G.; Moshchalkov, V.V. |
| Title |
0 and π phase Josephson coupling through an insulating barrier with magnetic impurities |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
74 |
Issue |
2 |
Pages |
020502 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
We have studied the temperature and field dependencies of the critical current I(C) in the Nb-Fe(0.1)Si(0.9)-Nb Josephson junction with a tunneling barrier formed by a paramagnetic insulator. We demonstrate that in these junctions coexistence of both the 0 and the pi states within one tunnel junction occurs, and leads to the appearance of a sharp cusp in the temperature dependence I(C)(T), similar to the I(C)(T) cusp found for the 0-pi transition in metallic pi junctions. This cusp is not related to the 0-pi temperature-induced transition itself, but is caused by the different temperature dependencies of the opposing 0 and pi supercurrents through the barrier. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| Language |
|
Wos |
000239426600010 |
Publication Date |
2006-07-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
27 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2006 IF: 3.107 |
| Call Number |
UA @ lucian @ c:irua:60087 c:irua:60087 c:irua:60087 c:irua:60087UA @ admin @ c:irua:60087 |
Serial |
1 |
| Permanent link to this record |
| |
|
| |
| Author |
Casavola, M.; van Huis, M.A.; Bals, S.; Lambert, K.; Hens, Z.; Vanmaekelbergh, D. |
| Title |
Anisotropic cation exchange in PbSe/CdSe core/shell nanocrystals of different geometry |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| Volume |
24 |
Issue |
2 |
Pages |
294-302 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
We present a study of Cd2+-for-Pb2+ exchange in PbSe nanocrystals (NCs) with cube, star, and rod shapes. Prolonged temperature-activated cation exchange results in PbSe/CdSe heterostructured nanocrystals (HNCs) that preserve their specific overall shape, whereas the PbSe core is strongly faceted with dominance of {111} facets. Hence, cation exchange proceeds while the Se anion lattice is preserved, and well-defined {111}/{111} PbSe/CdSe interfaces develop. Interestingly, by quenching the reaction at different stages of the cation exchange new structures have been isolated, such as coreshell nanorods, CdSe rods that contain one or two separated PbSe dots and fully zinc blende CdSe nanorods. The crystallographically anisotropic cation exchange has been characterized by a combined HRTEM/HAADF-STEM study of heterointerface evolution over reaction time and temperature. Strikingly, Pb and Cd are only intermixed at the PbSe/CdSe interface. We propose a plausible model for the cation exchange based on a layer-by-layer replacement of Pb2+ by Cd2+ enabled by a vacancy-assisted cation migration mechanism. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000299367500008 |
Publication Date |
2011-11-17 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
9.466 |
Times cited |
136 |
Open Access |
|
| Notes |
Esteem 026019 |
Approved |
Most recent IF: 9.466; 2012 IF: 8.238 |
| Call Number |
UA @ lucian @ c:irua:94211 |
Serial |
124 |
| Permanent link to this record |
| |
|
| |
| Author |
Abakumov, A.M.; Batuk, D.; Hadermann, J.; Rozova, M.G.; Sheptyakov, D.V.; Tsirlin, A.A.; Niermann, D.; Waschowski, F.; Hemberger, J.; Van Tendeloo, G.; Antipov, E.V. |
| Title |
Antiferroelectric (Pb,Bi)1-xFe1+xO3-y perovskites modulated by crystallographic shear planes |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| Volume |
23 |
Issue |
2 |
Pages |
255-265 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
We demonstrate for the first time a possibility to vary the anion content in perovskites over a wide range through a long-range-ordered arrangement of crystallographic shear (CS) planes. Anion-deficient perovskites (Pb,Bi)1−xFe1+xO3−y with incommensurately modulated structures were prepared as single phases in the compositional range from Pb0.857Bi0.094Fe1.049O2.572 to Pb0.409Bi0.567Fe1.025O2.796. Using a combination of electron diffraction and high-resolution scanning transmission electron microscopy, we constructed a superspace model describing a periodic arrangement of the CS planes. The model was verified by refinement of the Pb0.64Bi0.32Fe1.04O2.675 crystal structure from neutron powder diffraction data ((3 + 1)D S.G. X2/m(α0γ), X = [1/2,1/2,1/2,1/2], a = 3.9082(1) Å, b = 3.90333(8) Å, c = 4.0900(1) Å, β = 91.936(2)°, q = 0.05013(4)a* + 0.09170(3)c* at T = 700 K, RP = 0.036, RwP = 0.048). The (Pb,Bi)1−xFe1+xO3−y structures consist of perovskite blocks separated by CS planes confined to nearly the (509)p perovskite plane. Along the CS planes, the perovskite blocks are shifted with respect to each other over the 1/2[110]p vector that transforms the corner-sharing connectivity of the FeO6 octahedra in the perovskite framework to an edge-sharing connectivity of the FeO5 pyramids at the CS plane, thus reducing the oxygen content. Variation of the chemical composition in the (Pb,Bi)1−xFe1+xO3−y series occurs mainly because of a changing thickness of the perovskite block between the interfaces, that can be expressed through the components of the q vector as Pb6γ+2αBi1−7γ−αFe1+γ−αO3−3γ−α. The Pb, Bi, and Fe atoms are subjected to strong displacements occurring in antiparallel directions on both sides of the perovskite blocks, resulting in an antiferroelectric-type structure. This is corroborated by the temperature-, frequency-, and field-dependent complex permittivity measurements. Pb0.64Bi0.32Fe1.04O2.675 demonstrates a remarkably high resistivity >0.1 T Ω cm at room temperature and orders antiferromagnetically below TN = 608(10) K. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000286160800018 |
Publication Date |
2010-12-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
9.466 |
Times cited |
29 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 9.466; 2011 IF: 7.286 |
| Call Number |
UA @ lucian @ c:irua:88651 |
Serial |
136 |
| Permanent link to this record |
| |
|
| |
| Author |
Turner, S.; Tavernier, S.M.F.; Huyberechts, G.; Bals, S.; Batenburg, K.J.; Van Tendeloo, G. |
| Title |
Assisted spray pyrolysis production and characterisation of ZnO nanoparticles with narrow size distribution |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Journal of nanoparticle research |
Abbreviated Journal |
J Nanopart Res |
| Volume |
12 |
Issue |
2 |
Pages |
615-622 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
| Abstract |
Nano-sized ZnO particles with a narrow size distribution and high crystallinity were prepared from aqueous solutions with high concentrations of Zn2+ containing salts and citric acid in a conventional spray pyrolysis setup. Structure, morphology and size of the produced material were compared to ZnO material produced by simple spray pyrolysis of zinc nitrates in the same experimental setup. Using transmission electron microscopy and electron tomography it has been shown that citric acid-assisted spray pyrolysed material is made up of micron sized secondary particles comprising a shell of lightly agglomerated, monocrystalline primary ZnO nanoparticles with sizes in the 2030 nm range, separable by a simple ultrasonic treatment step. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
S.l. |
Editor |
|
| Language |
|
Wos |
000275318700025 |
Publication Date |
2009-04-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1388-0764;1572-896X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.02 |
Times cited |
27 |
Open Access |
|
| Notes |
Esteem 026019 |
Approved |
Most recent IF: 2.02; 2010 IF: 3.253 |
| Call Number |
UA @ lucian @ c:irua:81771 |
Serial |
156 |
| Permanent link to this record |
| |
|
| |
| Author |
Bings, N.H.; Bogaerts, A.; Broekaert, J.A.C. |
| Title |
Atomic spectroscopy |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
| Volume |
85 |
Issue |
2 |
Pages |
670-704 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000313668400013 |
Publication Date |
2012-11-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-2700;1520-6882; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.32 |
Times cited |
29 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 6.32; 2013 IF: 5.825 |
| Call Number |
UA @ lucian @ c:irua:104719 |
Serial |
190 |
| Permanent link to this record |
| |
|
| |
| Author |
Corthals, S.; van Noyen, J.; Geboers, J.; Vosch, T.; Liang, D.; Ke, X.; Hofkens, J.; Van Tendeloo, G.; Jacobs, P.; Sels, B. |
| Title |
The beneficial effect of CO2 in the low temperature synthesis of high quality carbon nanofibers and thin multiwalled carbon nanotubes from CH_{4} over Ni catalysts |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
50 |
Issue |
2 |
Pages |
372-384 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
A low temperature chemical vapor deposition method is described for converting CH4 into high-quality carbon nanofibers (CNFs) using a Ni catalyst supported on either spinel or perovskite oxides in the presence of CO2. The addition of CO2 has a significant influence on CNF purity and stability, while the CNF diameter distribution is significantly narrowed. Ultimately, the addition of CO2 changes the CNF structure from fishbone fibers to thin multiwalled carbon nanotubes. A new in situ cooling principle taking into account dry reforming chemistry and thermodynamics is introduced to account for the structural effects of CO2. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000297397700004 |
Publication Date |
2011-09-01 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.337 |
Times cited |
26 |
Open Access |
|
| Notes |
Iwt; Iap |
Approved |
Most recent IF: 6.337; 2012 IF: 5.868 |
| Call Number |
UA @ lucian @ c:irua:93626 |
Serial |
228 |
| Permanent link to this record |
| |
|
| |
| Author |
Vinchurkar, S.; De Backer, L.; Vos, W.; Van Holsbeke, C.; de Backer, J.; de Backer, W. |
| Title |
A case series on lung deposition analysis of inhaled medication using functional imaging based computational fluid dynamics in asthmatic patients : effect of upper airway morphology and comparison with in vivo data |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Inhalation Toxicology |
Abbreviated Journal |
Inhal Toxicol |
| Volume |
24 |
Issue |
2 |
Pages |
81-88 |
| Keywords |
A1 Journal article; Pharmacology. Therapy; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP) |
| Abstract |
Context: Asthma affects 20 million Americans resulting in an economic burden of approximately $18 billion in the US alone (Allergies and Asthma Foundation 2000; National Center for Environmental Health (NCEH) 1999). Research studies based on differences in patient-specific airway morphology for asthma and the associated effect on deposition of inhaled aerosols are currently not available in the literature. Therefore, the role of morphological variations such as upper airway (extrathoracic) occlusion is not well documented. Objective: Functional imaging based computational fluid dynamics (CFD) of the respiratory airways for five asthmatic subjects is performed in this study using computed tomography (CT) based patient-specific airway models and boundary conditions. Methods: CT scans for 5 asthma patients were used to reconstruct 3D lung models using segmentation software. An averaged inhalation profile and patient-specific lobar flow distribution were used to perform the simulation. The simulations were used to obtain deposition for BDP/Formoterol (R) HFA pMDI in the patient-specific airway models. Results: The lung deposition obtained using CFD was in excellent agreement with available in vivo data using the same product. Specifically, CFD resulted in 30% lung deposition, whereas in vivo lung deposition was reported to be approximately 31%. Conclusion: It was concluded that a combination of patient-specific airway models and lobar boundary conditions can be used to obtain accurate lung deposition estimates. Lower lung deposition can be expected for patients with higher extrathoracic resistance. Novel respiratory drug delivery devices need to accommodate population subgroups based on these morphological and anatomical differences in addition to subject age. |
| Address |
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| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000299744800001 |
Publication Date |
2012-01-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0895-8378;1091-7691; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.751 |
Times cited |
36 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 1.751; 2012 IF: 1.894 |
| Call Number |
UA @ lucian @ c:irua:96238 |
Serial |
286 |
| Permanent link to this record |
| |
|
| |
| Author |
Zhao, Q.; Lorenz, H.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Rameshan, C.; Klötzer, B.; Konzett, J.; Penner, S. |
| Title |
Catalytic characterization of pure SnO2 and GeO2 in methanol steam reforming |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Applied catalysis : A : general |
Abbreviated Journal |
Appl Catal A-Gen |
| Volume |
375 |
Issue |
2 |
Pages |
188-195 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Structural changes of a variety of different SnO, SnO2 and GeO2 catalysts upon reduction in hydrogen were correlated with associated catalytic changes in methanol steam reforming. Studied systems include SnO, SnO2 and GeO2 thin film model catalysts prepared by vapour phase deposition and growth on polycrystalline NaCl surfaces and, for comparison, the corresponding pure oxide powder catalysts. Reduction of both the SnO2 thin film and powder at around 673 K in 1 bar hydrogen leads to a substantial reduction of the bulk structure and yields a mixture of SnO2 and metallic β-Sn. On the powder catalyst this transformation is fully reversible upon oxidation in 1 bar O2 at 673 K. Strongly reduced thin films, however, can only be re-transformed to SnO2 if the reduction temperature did not exceed 573 K. For GeO2, the situation is more complex due to its polymorphism. Whereas the tetragonal phase is structurally stable during reduction, oxidation or catalytic reaction, a small part of the hexagonal phase is always transformed into the tetragonal at 673 K independent of the gas phase used. SnO2 is highly active and CO2 selective in methanol steam reforming, but the initial high activity drops considerably upon reduction between 373 and 573 K and almost complete catalyst deactivation is observed after reduction at 673 K, which is associated with the parallel formation of β-Sn. In close correlation to the structural results, the catalytic activity and selectivity can be restored upon an oxidative catalyst regeneration at 673 K. Tetragonal GeO2 exhibits only a small activity and no pronounced selectivity to either CO or CO2, at least after reduction. In its fully oxidized state release of surface/lattice oxygen results in a non-catalytic formation of CO2 by oxidation of CO originating from catalytic dehydrogenation. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000275580600002 |
Publication Date |
2010-01-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0926-860X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.339 |
Times cited |
20 |
Open Access |
|
| Notes |
Esteem 026019 |
Approved |
Most recent IF: 4.339; 2010 IF: 3.384 |
| Call Number |
UA @ lucian @ c:irua:81741 |
Serial |
292 |
| Permanent link to this record |
| |
|
| |
| Author |
Yan, L.; Niu, H.J.; Duong, G.V.; Suchomel, M.R.; Bacsa, J.; Chalker, P.R.; Hadermann, J.; Van Tendeloo, G.; Rosseinsky, M.J. |
| Title |
Cation ordering within the perovskite block of a six-layer Ruddlesden-Popper oxide from layer-by-layer growth artificial interfaces in complex unit cells |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Chemical science |
Abbreviated Journal |
Chem Sci |
| Volume |
2 |
Issue |
2 |
Pages |
261-272 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The (AO)(ABO3)n Ruddlesden-Popper structure is an archetypal complex oxide consisting of two distinct structural units, an (AO) rock salt layer separating an n-octahedra thick perovskite block. Conventional high-temperature oxide synthesis methods cannot access members with n > 3, but low-temperature layer-by-layer thin film methods allow the preparation of materials with thicker perovskite blocks, exploiting high surface mobility and lattice matching with the substrate. This paper describes the growth of an n = 6 member CaO[(CSMO)2(LCMO)2 (CSMO)2] in which the six unit cell perovskite block is sub-divided into two central La0.67Ca0.33MnO3 (LCMO) and two terminal Ca0.85Sm0.15MnO3 (CSMO) layers to allow stabilization of the rock salt layer and variation of the transition metal charge. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Royal Society of Chemistry |
Place of Publication |
Cambridge |
Editor |
|
| Language |
|
Wos |
000286327600010 |
Publication Date |
2010-11-06 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2041-6520;2041-6539; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
8.668 |
Times cited |
16 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 8.668; 2011 IF: 7.525 |
| Call Number |
UA @ lucian @ c:irua:88652 |
Serial |
300 |
| Permanent link to this record |
| |
|
| |
| Author |
Wang, Y.; Yu, M.Y.; Chen, Z.Y. |
| Title |
Coherent relativistic wake wave of a charged object moving steadily in a plasma |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Physica scripta |
Abbreviated Journal |
Phys Scripta |
| Volume |
84 |
Issue |
2 |
Pages |
025501,1-025501,5 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Nonlinear electron plasma waves driven by a finite-charged particle pulse or rigid object moving at relativistic speeds are investigated. Quasi-stationary smooth and spiky wake waves comoving with the object are found. Localized soliton-like solutions are also shown to exist. Relativistic effects tend to prevent their formation because of the electron mass increase. The application of the very-large-amplitude wake density waves as a source of ultrahigh-energy cosmic-ray events is discussed. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Stockholm |
Editor |
|
| Language |
|
Wos |
000294727900017 |
Publication Date |
2011-07-09 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0031-8949;1402-4896; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.28 |
Times cited |
5 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.28; 2011 IF: 1.204 |
| Call Number |
UA @ lucian @ c:irua:92435 |
Serial |
381 |
| Permanent link to this record |
| |
|
| |
| Author |
Payette, C.; Yu, G.; Gupta, J.A.; Austing, D.G.; Nair, S.V.; Partoens, B.; Amaha, S.; Tarucha, S. |
| Title |
Coherent three-level mixing in an electronic quantum dot |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
| Volume |
102 |
Issue |
2 |
Pages |
026808,1-026808,4 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We observe magnetic-field-induced level mixing and quantum superposition phenomena between three approaching single-particle states in a quantum dot probed via the ground state of an adjacent quantum dot by single-electron resonant tunneling. The mixing is attributed to anisotropy and anharmonicity in realistic dot confining potentials. The pronounced anticrossing and transfer of strengths (both enhancement and suppression) between resonances can be understood with a simple coherent level mixing model. Superposition can lead to the formation of a dark state by complete cancellation of an otherwise strong resonance, an effect resembling coherent population trapping in a three-level-system of quantum and atom optics. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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| Language |
|
Wos |
000262535900060 |
Publication Date |
2009-01-16 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0031-9007;1079-7114; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
8.462 |
Times cited |
26 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 8.462; 2009 IF: 7.328 |
| Call Number |
UA @ lucian @ c:irua:76019 |
Serial |
382 |
| Permanent link to this record |
| |
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| |
| Author |
Oleshko, V.P.; Gijbels, R.H.; van Daele, A.J.; Jacob, W.A.; Xu, Y.-E.; Wang, S.-E.; Park, I.-Y.; Kang, T.-S. |
| Title |
Combined characterization of composite tabular silver halide microcrystals by cryo-EFTEM/EELS and cryo-STEM/EDX techniques |
Type |
A1 Journal article |
| Year |
1998 |
Publication |
Microscopy research and technique |
Abbreviated Journal |
Microsc Res Techniq |
| Volume |
42 |
Issue |
2 |
Pages |
108-122 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000075521300005 |
Publication Date |
2002-09-10 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1059-910X;1097-0029; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.147 |
Times cited |
4 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.147; 1998 IF: 0.765 |
| Call Number |
UA @ lucian @ c:irua:24907 |
Serial |
398 |
| Permanent link to this record |
| |
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| |
| Author |
Neyts, E.C.; Bogaerts, A. |
| Title |
Combining molecular dynamics with Monte Carlo simulations : implementations and applications |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Theoretical chemistry accounts : theory, computation, and modeling |
Abbreviated Journal |
Theor Chem Acc |
| Volume |
132 |
Issue |
2 |
Pages |
1320-12 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In this contribution, we present an overview of the various techniques for combining atomistic molecular dynamics with Monte Carlo simulations, mainly in the context of condensed matter systems, as well as a brief summary of the main accelerated dynamics techniques. Special attention is given to the force bias Monte Carlo technique and its combination with molecular dynamics, in view of promising recent developments, including a definable timescale. Various examples of the application of combined molecular dynamics / Monte Carlo simulations are given, in order to demonstrate the enhanced simulation efficiency with respect to either pure molecular dynamics or Monte Carlo. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
|
Editor |
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| Language |
|
Wos |
000318294700010 |
Publication Date |
2012-12-19 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1432-881X;1432-2234; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.89 |
Times cited |
27 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.89; 2013 IF: 2.143 |
| Call Number |
UA @ lucian @ c:irua:104725 |
Serial |
404 |
| Permanent link to this record |
| |
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| |
| Author |
Bogaerts, A.; de Bleecker, K.; Georgieva, V.; Kolev, I.; Madani, M.; Neyts, E. |
| Title |
Computer simulations for processing plasmas |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
| Volume |
3 |
Issue |
2 |
Pages |
110-119 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
| Language |
|
Wos |
000235628300003 |
Publication Date |
2006-02-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1612-8850;1612-8869; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.846 |
Times cited |
8 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.846; 2006 IF: 2.298 |
| Call Number |
UA @ lucian @ c:irua:56076 |
Serial |
465 |
| Permanent link to this record |
