Records |
Author |
Petrovic, M.D.; Milovanović, S.P.; Peeters, F.M. |
Title |
Scanning gate microscopy of magnetic focusing in graphene devices : quantum versus classical simulation |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
Volume |
28 |
Issue |
28 |
Pages |
185202 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
We compare classical versus quantum electron transport in recently investigated magnetic focusing devices (Bhandari et al 2016 Nano Lett. 16 1690) exposed to the perturbing potential of a scanning gate microscope (SGM). Using the Landauer-Buttiker formalism for a multi-terminal device, we calculate resistance maps that are obtained as the SGM tip is scanned over the sample. There are three unique regimes in which the scanning tip can operate (focusing, repelling, and mixed regime) which are investigated. Tip interacts mostly with electrons with cyclotron trajectories passing directly underneath it, leaving a trail of modified current density behind it. Other (indirect) trajectories become relevant when the tip is placed near the edges of the sample, and current is scattered between the tip and the edge. We point out that, in contrast to SGM experiments on gapped semiconductors, the STM tip can induce a pn junction in graphene, which improves contrast and resolution in SGM. We also discuss possible explanations for spatial asymmetry of experimentally measured resistance maps, and connect it with specific configurations of the measuring probes. |
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 |
000399273800001 |
Publication Date |
2017-03-17 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.44 |
Times cited |
7 |
Open Access |
|
Notes |
; This work was supported by the Methusalem program of the Flemish government. ; |
Approved |
Most recent IF: 3.44 |
Call Number |
UA @ lucian @ c:irua:143639 |
Serial |
4607 |
Permanent link to this record |
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|
|
Author |
Partoens, B. |
Title |
Spinorbit interactions : hide and seek |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Nature physics |
Abbreviated Journal |
Nat Phys |
Volume |
10 |
Issue |
|
Pages |
333-334 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
It is commonly believed that solids with spatial inversion symmetry do not display spinorbit effects. However, first-principles calculations now reveal unexpected spin structure for centrosymmetric crystals |
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 |
000335371200003 |
Publication Date |
2014-04-11 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1745-2473; 1745-2481 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
22.806 |
Times cited |
8 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 22.806; 2014 IF: 20.147 |
Call Number |
UA @ lucian @ c:irua:141068 |
Serial |
4608 |
Permanent link to this record |
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Author |
Gillis, S.; Jaykka, J.; Milošević, M.V. |
Title |
Vortex states in mesoscopic three-band superconductors |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
89 |
Issue |
2 |
Pages |
024512 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using multicomponent Ginzburg-Landau simulations, we show a plethora of vortex states possible in mesoscopic three-band superconductors. We find that mesoscopic confinement stabilizes chiral states, with nontrivial phase differences between the band condensates, as the ground state of the system. As a consequence, we report the broken-symmetry vortex states, the chiral states where vortex cores in different band condensates do not coincide (split-core vortices), as well as fractional-flux vortex states with broken time-reversal symmetry. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
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Wos |
000333653800001 |
Publication Date |
2014-01-24 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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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 |
26 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO). Critical remarks of Lucia Komendova are gratefully acknowledged. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:128885 |
Serial |
4611 |
Permanent link to this record |
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Author |
Janyavula, S.; Lawson, N.; Çakir, D.; Beck, P.; Ramp, L.C.; Burgess, J.O. |
Title |
The wear of polished and glazed zirconia against enamel |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Journal Of Prosthetic Dentistry |
Abbreviated Journal |
J Prosthet Dent |
Volume |
109 |
Issue |
1 |
Pages |
22-29 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Statement of problem. The wear of tooth structure opposing anatomically contoured zirconia crowns requires further investigation. Purpose. The purpose of this in vitro study was to measure the roughness and wear of polished, glazed, and polished then reglazed zirconia against human enamel antagonists and compare the measurements to those of veneering porcelain and natural enamel. Material and methods. Zirconia specimens were divided into polished, glazed, and polished then reglazed groups (n=8). A veneering porcelain (Ceramco3) and enamel were used as controls. The surface roughness of all pretest specimens was measured. Wear testing was performed in the newly designed Alabama wear testing device. The mesiobuccal cusps of extracted molars were standardized and used as antagonists. Three-dimensional (3D) scans of the specimens and antagonists were obtained at baseline and after 200 000 and 400 000 cycles with a profilometer. The baseline scans were superimposed on the posttesting scans to determine volumetric wear. Data were analyzed with a 1-way ANOVA and Tukey Honestly Significant Difference (HSD) post hoc tests (alpha=.05) Results. Surface roughness ranked in order of least rough to roughest was: polished zirconia, glazed zirconia, polished then reglazed zirconia, veneering porcelain, and enamel. For ceramic, there was no measureable loss on polished zirconia, moderate loss on the surface of enamel, and significant loss on glazed and polished then reglazed zirconia. The highest ceramic wear was exhibited by the veneering ceramic. For enamel antagonists, polished zirconia caused the least wear, and enamel caused moderate wear. Glazed and polished then reglazed zirconia showed significant opposing enamel wear, and veneering porcelain demonstrated the most. Conclusions. Within the limitations of the study, polished zirconia is wear-friendly to the opposing tooth. Glazed zirconia causes more material and antagonist wear than polished zirconia. The surface roughness of the zirconia aided in predicting the wear of the opposing dentition. (J Prosthet Dent 2013;109:22-29) |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
St. Louis, Mo. |
Editor |
|
Language |
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Wos |
000313934900004 |
Publication Date |
2013-01-15 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
0022-3913 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.095 |
Times cited |
89 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 2.095; 2013 IF: 1.419 |
Call Number |
UA @ lucian @ c:irua:128327 |
Serial |
4612 |
Permanent link to this record |
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Author |
Yang, W.; Misko, V.R.; Tempère, J.; Kong, M.; Peeters, F.M. |
Title |
Artificial living crystals in confined environment |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Physical Review E |
Abbreviated Journal |
Phys Rev E |
Volume |
95 |
Issue |
6 |
Pages |
062602 |
Keywords |
A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT) |
Abstract |
Similar to the spontaneous formation of colonies of bacteria, flocks of birds, or schools of fish, “living crystals” can be formed by artificial self-propelled particles such as Janus colloids. Unlike usual solids, these “crystals” are far from thermodynamic equilibrium. They fluctuate in time forming a crystalline structure, breaking apart and re-forming again. We propose a method to stabilize living crystals by applying a weak confinement potential that does not suppress the ability of the particles to perform self-propelled motion, but it stabilizes the structure and shape of the dynamical clusters. This gives rise to such configurations of living crystals as “living shells” formed by Janus colloids. Moreover, the shape of the stable living clusters can be controlled by tuning the potential strength. Our proposal can be verified experimentally with either artificial microswimmers such as Janus colloids, or with living active matter. |
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 |
000402667600006 |
Publication Date |
2017-06-06 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2470-0045;2470-0053; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.366 |
Times cited |
10 |
Open Access |
|
Notes |
; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Research Foundation (FWO-Vl) (Belgium), the Flemish Research Foundation (through Projects No. G.0115.12N, No. G.0119.12N, No. G.0122.12N, and No. G.0429.15N), and the Research Fund of the University of Antwerp. W.Y. acknowledges the support from the National Natural Science Foundation of China under Grants No. 11204199 and No. 51135007, the China Scholarship Council, the 131 project and the Program for the Outstanding Innovative Teams of Higher Learning Institutions of Shanxi, and a project under Grant No. 2016-096 by Shanxi Scholarship Council of China. ; |
Approved |
Most recent IF: 2.366 |
Call Number |
UA @ lucian @ c:irua:144205 |
Serial |
4641 |
Permanent link to this record |
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Author |
Abeysinghe, D.; Smith, M.D.; Yeon, J.; Tran, T.T.; Sena, R.P.; Hadermann, J.; Halasyamani, P.S.; zur Loye, H.-C. |
Title |
Crystal growth and structure analysis of Ce-18-W-10-O-57 : a complex oxide containing tungsten in an unusual trigonal prismatic coordination environment |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
Volume |
56 |
Issue |
5 |
Pages |
2566-2575 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The noncentrosymmetric tungstate oxide, Ce18W10O57) was synthesized for the first time as high-quality single crystals via the molten chloride flux method and structurally characterized by single-crystal X-ray diffraction. The compound is a structural analogue to the previously reported La18W10O57, which crystallizes in the hexagonal space group P (6) over bar 2c. The +3 oxidation state of cerium in Ce18W10O57 was achieved via the in situ reduction of Ce(IV) to Ce(III) using Zn metal. The structure consists of both isolated and face-shared WO6 octahedra and, surprisingly, isolated WO6 trigonal prisms. A careful analysis of the packing arrangement in the structure makes it possible to explain the unusual structural architecture of Ce18W10O57, which is described in detail. The temperature-dependent magnetic susceptibility of Ce18W10O57 indicates that the cerium(III) f(1) cations do not order magnetically and exhibit simple paramagnetic behavior. The SHG efficiency of Ln(18)W(10)O(57) (Ln = La, Ce) was measured as a function of particle size, and both compounds were found to be SHG active with efficiency approximately equal to that of alpha-SiO2. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Easton, Pa |
Editor |
|
Language |
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Wos |
000395847300026 |
Publication Date |
2017-02-15 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0020-1669 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.857 |
Times cited |
9 |
Open Access |
Not_Open_Access |
Notes |
; Financial support for this work was provided by the National Science Foundation under DMR-1301757 and is gratefully acknowledged. T.T.T. and P.S.H. thank the Welch Foundation (Grant E-1457) and NSF-DMR-1503573. ; |
Approved |
Most recent IF: 4.857 |
Call Number |
UA @ lucian @ c:irua:142449 |
Serial |
4643 |
Permanent link to this record |
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Author |
Hoang, D.-Q.; Korneychuk, S.; Sankaran, K.J.; Pobedinskas, P.; Drijkoningen, S.; Turner, S.; Van Bael, M.K.; Verbeeck, J.; Nicley, S.S.; Haenen, K. |
Title |
Direct nucleation of hexagonal boron nitride on diamond : crystalline properties of hBN nanowalls |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
Volume |
127 |
Issue |
|
Pages |
17-24 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Hexagonal boron nitride (hBN) nanowalls were deposited by unbalanced radio frequency sputtering on (100)-oriented silicon, nanocrystalline diamond films, and amorphous silicon nitride (Si3N4) membranes. The hBN nanowall structures were found to grow vertically with respect to the surface of all of the substrates. To provide further insight into the nucleation phase and possible lattice distortion of the deposited films, the structural properties of the different interfaces were characterized by transmission electron microscopy. For Si and Si3N4 substrates, turbostratic and amorphous BN phases form a clear transition zone between the substrate and the actual hBN phase of the bulk nanowalls. However, surprisingly, the presence of these phases was suppressed at the interface with a nanocrystalline diamond film, leading to a direct coupling of hBN with the diamond surface, independent of the vertical orientation of the diamond grain. To explain these observations, a growth mechanism is proposed in which the hydrogen terminated surface of the nanocrystalline diamond film leads to a rapid formation of the hBN phase during the initial stages of growth, contrary to the case of Si and Si3N4 substrates. (C) 2017 Acta Materialia Inc. Published by Elsevier Ltd. 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 |
Oxford |
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 |
|
Series Issue |
|
Edition |
|
ISSN |
1359-6454 |
ISBN |
|
Additional Links |
UA library record; ; WoS full record; WoS citing articles |
Impact Factor |
5.301 |
Times cited |
|
Open Access |
OpenAccess |
Notes |
|
Approved |
Most recent IF: 5.301 |
Call Number |
UA @ lucian @ c:irua:142398 |
Serial |
4645 |
Permanent link to this record |
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|
Author |
Zebrowski, D.P.; Peeters, F.M.; Szafran, B. |
Title |
Driven spin transitions in fluorinated single- and bilayer-graphene quantum dots |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Semiconductor science and technology |
Abbreviated Journal |
Semicond Sci Tech |
Volume |
32 |
Issue |
6 |
Pages |
065016 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Spin transitions driven by a periodically varying electric potential in dilute fluorinated graphene quantum dots are investigated. Flakes of monolayer graphene as well as electrostatic electron traps induced in bilayer graphene are considered. The stationary states obtained within the tight-binding approach are used as the basis for description of the system dynamics. The dilute fluorination of the top layer lifts the valley degeneracy of the confined states and attenuates the orbital magnetic dipole moments due to current circulation within the flake. The spin-orbit coupling introduced by the surface deformation of the top layer induced by the adatoms allows the spin flips to be driven by the AC electric field. For the bilayer quantum dots the spin flip times is substantially shorter than the spin relaxation. Dynamical effects including many-photon and multilevel transitions are also 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 |
London |
Editor |
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Language |
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Wos |
000402405800007 |
Publication Date |
2017-04-19 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0268-1242 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
2.305 |
Times cited |
|
Open Access |
|
Notes |
; This work was supported by the National Science Centre according to decision DEC-2013/11/B/ST3/03837 and by the Flemish Science Foundation (FWO-VL). ; |
Approved |
Most recent IF: 2.305 |
Call Number |
UA @ lucian @ c:irua:144238 |
Serial |
4646 |
Permanent link to this record |
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Author |
Neyts, E.C.; Bal, K.M. |
Title |
Effect of electric fields on plasma catalytic hydrocarbon oxidation from atomistic simulations |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
Volume |
14 |
Issue |
6 |
Pages |
e1600158 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The catalytic oxidative dehydrogenation of hydrocarbons is an industrially important process, in which selectivity is a key issue. We here investigate the conversion of methanol to formaldehyde on a vanadia surface employing long timescale simulations, reaching a time scale of seconds. In particular, we compare the thermal process to the case where an additional external electric field is applied, as would be the case in a direct plasma-catalysis setup. We find that the electric field influences the retention time of the molecules at the catalyst surface. These simulations provide an atomic scale insight in the thermal catalytic oxidative dehydrogenation process, and in how an external electric field may affect this process. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000403699900013 |
Publication Date |
2016-11-08 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1612-8850 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.846 |
Times cited |
2 |
Open Access |
Not_Open_Access |
Notes |
|
Approved |
Most recent IF: 2.846 |
Call Number |
UA @ lucian @ c:irua:144210 |
Serial |
4647 |
Permanent link to this record |
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Author |
Li, L.L.; Moldovan, D.; Xu, W.; Peeters, F.M. |
Title |
Electric-and magnetic-field dependence of the electronic and optical properties of phosphorene quantum dots |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
Volume |
28 |
Issue |
8 |
Pages |
085702 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
Recently, black phosphorus quantum dots were fabricated experimentally. Motivated by these experiments, we theoretically investigate the electronic and optical properties of rectangular phosphorene quantum dots (RPQDs) in the presence of an in-plane electric field and a perpendicular magnetic field. The energy spectra and wave functions of RPQDs are obtained numerically using the tight-binding approach. We find edge states within the band gap of the RPQD which are well separated from the bulk states. In an undoped RPQD and for in-plane polarized light, due to the presence of well-defined edge states, we find three types of optical transitions which are between the bulk states, between the edge and bulk states, and between the edge states. The electric and magnetic fields influence the bulk-to-bulk, edge-to-bulk, and edge-to- edge transitions differently due to the different responses of bulk and edge states to these fields. |
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 |
000403100700001 |
Publication Date |
2017-01-03 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.44 |
Times cited |
32 |
Open Access |
|
Notes |
; This work was financially supported by the China Scholarship Council (CSC), the Flemish Science Foundation (FWO-Vl), the National Natural Science Foundation of China (Grant Nos. 11304316 and 11574319), and by the Chinese Academy of Sciences (CAS). ; |
Approved |
Most recent IF: 3.44 |
Call Number |
UA @ lucian @ c:irua:144325 |
Serial |
4648 |
Permanent link to this record |
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Author |
Zhang, L.; Batuk, D.; Chen, G.; Tarascon, J.-M. |
Title |
Electrochemically activated MnO as a cathode material for sodium-ion batteries |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Electrochemistry communications |
Abbreviated Journal |
Electrochem Commun |
Volume |
77 |
Issue |
|
Pages |
81-84 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Besides classical electrode materials pertaining to Li-ion batteries, recent interest has been devoted to pairs of active redox composites having a redox center and an intercalant source. Taking advantage of the NaPFG salt decomposition above 4.2 V. we extrapolate this concept to the electrochemical in situ preparation of F-based MnO composite electrodes for Na-ion batteries. Such electrodes exhibit a reversible discharge capacity of 145 mAh g(-1) at room temperature. The amorphization of pristine MnO electrode after activation is attributed to the electrochemical grinding effect caused by substantial atomic migration and lattice strain build-up upon cycling. (C) 2017 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 |
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Language |
|
Wos |
000399510400019 |
Publication Date |
2017-02-28 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1388-2481 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.396 |
Times cited |
8 |
Open Access |
OpenAccess |
Notes |
; This work was partially supported by the Hong Kong Research Grants Council under the General Research Fund Project #611213. L.Z. thanks the HKUST for his Postgraduate Studentship. ; |
Approved |
Most recent IF: 4.396 |
Call Number |
UA @ lucian @ c:irua:143648 |
Serial |
4650 |
Permanent link to this record |
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Author |
Hoang, D.-Q.; Pobedinskas, P.; Nicley, S.S.; Turner, S.; Janssens, S.D.; Van Bael, M.K.; D'Haen, J.; Haenen, K. |
Title |
Elucidation of the Growth Mechanism of Sputtered 2D Hexagonal Boron Nitride Nanowalls |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Crystal growth & design |
Abbreviated Journal |
Cryst Growth Des |
Volume |
16 |
Issue |
7 |
Pages |
3699-3708 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Hexagonal boron nitride nanowall thin films were deposited on Si(100) substrates using a Ar(51%)/N-2(44%)/H-2(5%) gas mixture by unbalanced radio frequency sputtering. The effects of various target-to-substrate distances, substrate temperatures, and substrate tilting angles were investigated. When the substrate is close to the target, hydrogen etching plays a significant role in the film growth, while the effect is negligible for films deposited at a farther distance. The relative quantity of defects was measured by a non-destructive infrared spectroscopy technique that characterized the hydrogen incorporation at dangling nitrogen bonds at defect sites in the deposited films. Despite the films deposited at different substrate tilting angles, the nanowalls of those films were found to consistently grow vertical to the substrate surface, independent of the tilting angle. This implies that chemical processes, rather than physical ones, govern the growth of the nanowalls. The results also reveal that the degree of nanowall crystallization is tunable by varying the growth parameters. Finally, evidence of hydrogen desorption during vacuum annealing is given based on measurements of infrared stretching (E-1u) and bending (A(2u)) modes of the optical phonons, and the H-N vibration mode. |
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 |
000379456700020 |
Publication Date |
2016-05-25 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1528-7483 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.055 |
Times cited |
8 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.055 |
Call Number |
UA @ lucian @ c:irua:144690 |
Serial |
4652 |
Permanent link to this record |
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|
Author |
Roesler, C.; Dissegna, S.; Rechac, V.L.; Kauer, M.; Guo, P.; Turner, S.; Ollegott, K.; Kobayashi, H.; Yamamoto, T.; Peeters, D.; Wang, Y.; Matsumura, S.; Van Tendeloo, G.; Kitagawa, H.; Muhler, M.; Llabres i Xamena, F.X.; Fischer, R.A. |
Title |
Encapsulation of bimetallic metal nanoparticles into robust zirconium-based metal-organic frameworks : evaluation of the catalytic potential for size-selective hydrogenation |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Chemistry: a European journal |
Abbreviated Journal |
Chem-Eur J |
Volume |
23 |
Issue |
15 |
Pages |
3583-3594 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The realization of metal nanoparticles (NPs) with bimetallic character and distinct composition for specific catalytic applications is an intensively studied field. Due to the synergy between metals, most bimetallic particles exhibit unique properties that are hardly provided by the individual monometallic counterparts. However, as small-sized NPs possess high surface energy, agglomeration during catalytic reactions is favored. Sufficient stabilization can be achieved by confinement of NPs in porous support materials. In this sense, metal-organic frameworks (MOFs) in particular have gained a lot of attention during the last years; however, encapsulation of bimetallic species remains challenging. Herein, the exclusive embedding of preformed core-shell PdPt and RuPt NPs into chemically robust Zr-based MOFs is presented. Microstructural characterization manifests partial retention of the core-shell systems after successful encapsulation without harming the crystallinity of the microporous support. The resulting chemically robust NP@UiO-66 materials exhibit enhanced catalytic activity towards the liquid-phase hydrogenation of nitrobenzene, competitive with commercially used Pt on activated carbon, but with superior size-selectivity for sterically varied substrates. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
Language |
|
Wos |
000397502900010 |
Publication Date |
2016-12-06 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0947-6539 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.317 |
Times cited |
13 |
Open Access |
Not_Open_Access |
Notes |
; This work is supported by the Cluster of Excellence RESOLV (EXC 1069) funded by the Deutsche Forschungsgemeinschaft (DFG). ; |
Approved |
Most recent IF: 5.317 |
Call Number |
UA @ lucian @ c:irua:142485 |
Serial |
4653 |
Permanent link to this record |
|
|
|
Author |
Sankaran, K.J.; Hoang, D.Q.; Srinivasu, K.; Korneychuk, S.; Turner, S.; Drijkoningen, S.; Pobedinskas, P.; Verbeeck, J.; Leou, K.C.; Lin, I.N.; Haenen, K. |
Title |
|
Type |
A1 Journal article |
Year |
2016 |
Publication |
Physica status solidi : A : applications and materials science |
Abbreviated Journal |
Phys Status Solidi A |
Volume |
213 |
Issue |
10 |
Pages |
2654-2661 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Utilization of Au and nanocrystalline diamond ( NCD) as interlayers noticeably modifies the microstructure and field electron emission ( FEE) properties of hexagonal boron nitride nanowalls ( hBNNWs) grown on Si substrates. The FEE properties of hBNNWs on Au could be turned on at a low turn-on field of 14.3V mu m(-1), attaining FEE current density of 2.58mAcm(-2) and life-time stability of 105 min. Transmission electron microscopy reveals that the Au-interlayer nucleates the hBN directly, preventing the formation of amorphous boron nitride ( aBN) in the interface, resulting in enhanced FEE properties. But Au forms as droplets on the Si substrate forming again aBN at the interface. Conversely, hBNNWs on NCD shows superior in life-time stability of 287 min although it possesses inferior FEE properties in terms of larger turn-on field and lower FEE current density as compared to that of hBNNWs-Au. The uniform and continuous NCD film on Si also circumvents the formation of aBN phases and allows hBN to grow directly on NCD. Incorporation of carbon in hBNNWs from the NCD-interlayer improves the conductivity of hBNNWs, which assists in transporting the electrons efficiently from NCD to hBNNWs that results in better field emission of electrons with high life-time stability. (C) 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000388321500017 |
Publication Date |
2016-09-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1862-6300 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.775 |
Times cited |
5 |
Open Access |
|
Notes |
The authors like to thank the financial support of the Research Foundation Flanders (FWO) via Research Projects G.0456.12 and G.0044.13N, the Methusalem “NANO” network. K. J. Sankaran, P. Pobedinskas, and S. Turner are FWO Postdoctoral Fellows of the Research Foundations Flanders (FWO). |
Approved |
Most recent IF: 1.775 |
Call Number |
UA @ lucian @ c:irua:144644UA @ admin @ c:irua:144644 |
Serial |
4655 |
Permanent link to this record |
|
|
|
Author |
Hunter, E.C.; Battle, P.D.; Sena, R.P.; Hadermann, J. |
Title |
Ferrimagnetism as a consequence of cation ordering in the perovskite LaSr2Cr2SbO9 |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
248 |
Issue |
|
Pages |
96-103 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A polycrystalline sample of LaSr2Cr2SbO9 has been synthesised using a standard ceramic method and characterized by x-ray and neutron diffraction, magnetometry and electron microscopy. The perovskite-related compound crystallises in the triclinic space group I1 with unit cell parameters of a=5.5344(6) angstrom, b=5.5562(5) angstrom, c=7.8292(7) angstrom, a=89.986(12)degrees, beta=90.350(5)degrees and gamma=89.926(9)degrees at room temperature. The two crystallographically-distinct, six-coordinate cation sites are occupied by Cr3+ and Sb5+ in ratios of 0.868(2):0.132(2) and 0.462(2):0.538(2). Ac and de magnetometry revealed that LaSr2Cr2SbO9 is ferrimagnetic below 150 K with a magnetisation of similar to 1.25 mu(B) per formula unit in 50 kOe at 5 K. Neutron diffraction showed that the cations on the two sites order in a G-type arrangement with a mean Cr3+ moment of 2.17(1) mu(B) at 5 K, consistent with a magnetisation of 1.32 mu(B) per formula unit. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000396386300012 |
Publication Date |
2017-01-31 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-4596 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.299 |
Times cited |
14 |
Open Access |
Not_Open_Access |
Notes |
; Experiments at the ISIS Pulsed Neutron and Muon Source were supported by the STFC. We are grateful to I. da Silva for the assistance provided at ISIS and to the EPSRC for financial support under Grant EP/M018954/1. We also thank Diamond Light Source Ltd (EE13284) for the award of beamtime. ; |
Approved |
Most recent IF: 2.299 |
Call Number |
UA @ lucian @ c:irua:142413 |
Serial |
4657 |
Permanent link to this record |
|
|
|
Author |
De Dobbelaere, C.; Lourdes Calzada, M.; Bretos, I.; Jimenez, R.; Ricote, J.; Hadermann, J.; Hardy, A.; Van Bael, M.K. |
Title |
Gaining new insight into low-temperature aqueous photochemical solution deposited ferroelectric PbTiO3 films |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Materials chemistry and physics |
Abbreviated Journal |
Mater Chem Phys |
Volume |
174 |
Issue |
|
Pages |
28-40 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The nature of the low-temperature photochemical assisted formation process of ferroelectric lead titanate (PbTiO3) films is studied in the present work. Films are obtained by the deposition of an aqueous solution containing citric acid based (citrato) metal ion complexes with intrinsic UV activity. This UV activity is crucial for the aqueous photochemical solution deposition (aqueous PCSD) route being used. UV irradiation enhances the early decomposition of organics and results in improved electrical properties for the crystalline oxide film, even if the film is crystallized at low temperature. GATR-FTIR shows that UV irradiation promotes the decomposition of organic precursor components, resulting in homogeneous films if applied in the right temperature window during film processing. The organic content, morphology and crystallinity of the irradiated films, achieved at different processing atmospheres and temperatures, is studied and eventually correlated to the functional behavior of the obtained films. This is an important issue, as crystalline films obtained at low temperatures often lack ferroelectric responses. In this work, the film prepared in pure oxygen at the very low temperature of 400 degrees C and after an optimized UV treatment presents a significant remanent polarization value of P-r = 8.8 mu C cm(-2). This value is attributed to the better crystallinity, the larger grain size and the reduced porosity obtained thanks to the early film crystallization effectively achieved through the UV treatment in oxygen. (C) 2016 Elsevier B.V. All rights reserved. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lausanne |
Editor |
|
Language |
|
Wos |
000373865700005 |
Publication Date |
2016-03-16 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0254-0584 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.084 |
Times cited |
4 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.084 |
Call Number |
UA @ lucian @ c:irua:144729 |
Serial |
4659 |
Permanent link to this record |
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|
|
Author |
Zhang, F.; Chevalier, J.; Olagnon, C.; Batuk, M.; Hadermann, J.; Van Meerbeek, B.; Vleugels, J. |
Title |
Grain-boundary engineering for aging and slow-crack-growth resistant zirconia |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Journal of dental research |
Abbreviated Journal |
J Dent Res |
Volume |
96 |
Issue |
7 |
Pages |
774-779 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Ceramic materials are prone to slow crack growth, resulting in strength degradation over time. Although yttria-stabilized zirconia (Y-TZP) ceramics have higher crack resistance than other dental ceramics, their aging susceptibility threatens their long-term performance in aqueous environments such as the oral cavity. Unfortunately, increasing the aging resistance of Y-TZP ceramics normally reduces their crack resistance. Our recently conducted systematic study of doping 3Y-TZP with various trivalent cations revealed that lanthanum oxide (La2O3) and aluminum oxide (Al2O3) have the most potent effect to retard the aging kinetics of 3Y-TZP. In this study, the crack-propagation behavior of La2O3 and Al2O3 co-doped 3Y-TZP ceramics was investigated by double-torsion methods. The grain boundaries were examined using scanning transmission electron microscopy and energy-dispersive spectroscopy (STEM-EDS). Correlating these analytic data with hydrothermal aging studies using different doping systems, a strategy to strongly bind the segregated dopant cations with the oxygen vacancies at the zirconia-grain boundary was found to improve effectively the aging resistance of Y-TZP ceramics without affecting the resistance to crack propagation. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
St. Louis, Mo. |
Editor |
|
Language |
|
Wos |
000403934500010 |
Publication Date |
2017-03-10 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-0345 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.755 |
Times cited |
3 |
Open Access |
Not_Open_Access |
Notes |
; This research was supported by the Research Fund of KU Leuven under project 0T/ 10/052 and the Research Foundation-Flanders (FWO-Vlaanderen) under grant G.0431.10N. We thank J.W. Seo for TEM and sample preparations. F. Zhang thanks the Research Fund of KU Leuven for her postdoctoral fellowship (PDM/15/153) and the JECS-Trust for the travel grant (No. 201599) to perform double-torsion testing in the MATEIS lab of INSA, Lyon, France. Jerome Chevalier would like to dedicate this paper to Maria Cattani Lorente, who recently passed away under tragic conditions. She was deeply involved in the study of dental zirconia and we will miss her. The authors declare no potential conflicts of interest with respect to the authorship and/or publication of this article. ; |
Approved |
Most recent IF: 4.755 |
Call Number |
UA @ lucian @ c:irua:144161 |
Serial |
4660 |
Permanent link to this record |
|
|
|
Author |
Sankaran, K.J.; Duc Quang Hoang; Korneychuk, S.; Kunuku, S.; Thomas, J.P.; Pobedinskas, P.; Drijkoningen, S.; Van Bael, M.K.; D'Haen, J.; Verbeeck, J.; Leou, K.-C.; Leung, K.T.; Lin, I.-N.; Haenen, K. |
Title |
Hierarchical hexagonal boron nitride nanowall-diamond nanorod heterostructures with enhanced optoelectronic performance |
Type |
A1 Journal article |
Year |
2016 |
Publication |
RSC advances |
Abbreviated Journal |
Rsc Adv |
Volume |
6 |
Issue |
93 |
Pages |
90338-90346 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A superior field electron emission (FEE) source made from a hierarchical heterostructure, where two-dimensional hexagonal boron nitride (hBN) nanowalls were coated on one-dimensional diamond nanorods (DNRs), is fabricated using a simple and scalable method. FEE characteristics of hBN-DNR display a low turn-on field of 6.0 V mu m(-1), a high field enhancement factor of 5870 and a high life-time stability of 435 min. Such an enhancement in the FEE properties of hBN-DNR derives from the distinctive material combination, i.e., high aspect ratio of the heterostructure, good electron transport from the DNR to the hBN nanowalls and efficient field emission of electrons from the hBN nanowalls. The prospective application of these heterostructures is further evidenced by enhanced microplasma devices using hBN-DNR as a cathode, in which the threshold voltage was lowered to 350 V, affirming the role of hBN-DNR in the improvement of electron emission. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000385451800044 |
Publication Date |
2016-09-12 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2046-2069 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.108 |
Times cited |
8 |
Open Access |
|
Notes |
The authors like to thank the financial support of the Research Foundation Flanders (FWO) via Research Projects G.0456.12 and G.0044.13N, the Methusalem “NANO” network. KJ Sankaran, and P Pobedinskas are Postdoctoral Fellows of the Research Foundation-Flanders (FWO). |
Approved |
Most recent IF: 3.108 |
Call Number |
UA @ lucian @ c:irua:144757UA @ admin @ c:irua:144757 |
Serial |
4662 |
Permanent link to this record |
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|
|
Author |
Bogaerts, A.; Ameye, L.; Bijlholt, M.; Amuli, K.; Heynickx, D.; Devlieger, R. |
Title |
INTER-ACT : prevention of pregnancy complications through an e-health driven interpregnancy lifestyle intervention: study protocol of a multicentre randomised controlled trial |
Type |
A1 Journal article |
Year |
2017 |
Publication |
BMC pregnancy and childbirth |
Abbreviated Journal |
Bmc Pregnancy Childb |
Volume |
17 |
Issue |
|
Pages |
154 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Centre for Research and Innovation in Care (CRIC) |
Abstract |
Background Excessive maternal pre-pregnancy and gestational weight gain are related to pregnancy- and birth outcomes. The interpregnancy time window offers a unique opportunity to intervene in order to acquire a healthy lifestyle before the start of a new pregnancy. Methods INTER-ACT is an e-health driven multicentre randomised controlled intervention trial targeting women at high risk of pregnancy- and birth related complications. Eligible women are recruited for the study at day 2 or 3 postpartum. At week 6 postpartum, participants are randomised into the intervention or control arm of the study. The intervention focuses on weight, diet, physical activity and mental well-being, and comprises face-to-face coaching, in which behavioural change techniques are central, and use of a mobile application, which is Bluetooth-connected to a weighing scale and activity tracker. The intervention is rolled out postpartum (4 coaching sessions between week 6 and month 6) and in a new pregnancy (3 coaching sessions, one in each trimester of pregnancy); the mobile app is used throughout the two intervention phases. Data collection includes data from the medical record of the participants (pregnancy outcomes and medical history), anthropometric data (height, weight, waist- and hip circumferences, skinfold thickness and body composition by bio-electrical impedance analysis), data from the mobile app (physical activity and weight; intervention group only) and questionnaires (socio-demographics, breastfeeding, food intake, physical activity, lifestyle, psychosocial factors and process evaluation). Medical record data are collected at inclusion and at delivery of the subsequent pregnancy. All other data are collected at week 6 and month 6 postpartum and every subsequent 6 months until a new pregnancy, and in every trimester in the new pregnancy. Primary outcome is the composite endpoint score of pregnancy-induced hypertension, gestational diabetes mellitus, caesarean section, and large-for-gestational-age infant in the subsequent pregnancy. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000402116300002 |
Publication Date |
2017-05-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1471-2393 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.263 |
Times cited |
4 |
Open Access |
OpenAccess |
Notes |
|
Approved |
Most recent IF: 2.263 |
Call Number |
UA @ lucian @ c:irua:143234 |
Serial |
4663 |
Permanent link to this record |
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|
Author |
Chin, C.-M.; Sena, R.P.; Hunter, E.C.; Hadermann, J.; Battle, P.D. |
Title |
Interplay of structural chemistry and magnetism in perovskites : a study of CaLn2Ni2WO9: Ln=La, Pr, Nd |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
251 |
Issue |
|
Pages |
224-232 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Polycrystalline samples of CaLn(2)Ni(2)WO(9) (Ln=La, Pr, Nd) have been synthesized and characterised by a combination of X-ray and neutron diffraction, electron microscopy and magnetometry. Each composition adopts a perovskite-like structure with a similar to 5.50, b similar to 5.56, c similar to 7.78 angstrom beta similar to 90.1 degrees in space group P2(1)/n. Of the two crystallographically distinct six-coordinate sites, one is occupied entirely (Ln=Pr) or predominantly (Ln=La, Nd) by Ni2+ and the other by Ni2+ and W6+ in a ratio of approximately 1:2. None of the compounds shows long-range magnetic order at 5 K. The magnetometry data show that the magnetic moments of the Ni2+ cations form a spin glass below 30 K in each case. The Pr3+ moments in CaPr2Ni2WO9 also freeze but the Nd3+ moments in CaNd2Ni2WO9 do not. This behaviour is contrasted with that observed in other (A,A')B2B'O-9 perovskites. |
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000402581200030 |
Publication Date |
2017-04-22 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-4596 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.299 |
Times cited |
5 |
Open Access |
OpenAccess |
Notes |
; We thank EPSRC for funding through grant EP/M0189541. CMC thanks the Croucher Foundation and Oxford University for a graduate scholarship. We are grateful to Ivan da Silva who provided experimental assistance at ISIS and to Maria Batuk for help with the STEM-EDX analysis. ; |
Approved |
Most recent IF: 2.299 |
Call Number |
UA @ lucian @ c:irua:144179 |
Serial |
4664 |
Permanent link to this record |
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|
|
Author |
Zhang, B.; Deschamps, M.; Ammar, M.-R.; Raymundo-Pinero, E.; Hennet, L.; Batuk, D.; Tarascon, J.-M. |
Title |
Laser synthesis of hard carbon for anodes in Na-ion battery |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Advanced Materials Technologies |
Abbreviated Journal |
|
Volume |
2 |
Issue |
3 |
Pages |
1600227 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000398999900003 |
Publication Date |
2016-12-19 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2365-709x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
10 |
Open Access |
Not_Open_Access |
Notes |
; The RS2E (Reseau sur le StockageElectrochimique de l'Energie) network is acknowledged for the financial support of this work through the ANR project Storex (ANR-10-LABX-76-01). J.-M.T acknowledges funding from the European Research Council (ERC) (FP/2014-2020)/ERC GrantProject 670116-ARPEMA. ; |
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:142452 |
Serial |
4666 |
Permanent link to this record |
|
|
|
Author |
Çakir, D.; Sevik, C.; Gulseren, O.; Peeters, F.M. |
Title |
Mo2C as a high capacity anode material: a first-principles study |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Journal of materials chemistry A : materials for energy and sustainability |
Abbreviated Journal |
J Mater Chem A |
Volume |
4 |
Issue |
16 |
Pages |
6029-6035 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
The adsorption and diffusion of Li, Na, K and Ca atoms on a Mo2C monolayer are systematically investigated by using first principles methods. We found that the considered metal atoms are strongly bound to the Mo2C monolayer. However, the adsorption energies of these alkali and earth alkali elements decrease as the coverage increases due to the enhanced repulsion between the metal ions. We predict a significant charge transfer from the ad-atoms to the Mo2C monolayer, which indicates clearly the cationic state of the metal atoms. The metallic character of both pristine and doped Mo2C ensures a good electronic conduction that is essential for an optimal anode material. Low migration energy barriers are predicted as small as 43 meV for Li, 19 meV for Na and 15 meV for K, which result in the very fast diffusion of these atoms on Mo2C. For Mo2C, we found a storage capacity larger than 400 mA h g(-1) by the inclusion of multilayer adsorption. Mo2C expands slightly upon deposition of Li and Na even at high concentrations, which ensures the good cyclic stability of the atomic layer. The calculated average voltage of 0.68 V for Li and 0.30 V for Na ions makes Mo2C attractive for low charging voltage applications. |
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
Language |
|
Wos |
000374790700033 |
Publication Date |
2016-03-18 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2050-7488; 2050-7496 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.867 |
Times cited |
202 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. C. S. acknowledges the support from Turkish Academy of Sciences (TUBA-GEBIP). C. S acknowledges the support from Anadolu University (Grant No. 1407F335). We acknowledge the support from TUBITAK, The Scientific and Technological Research Council of Turkey (Grant No. 115F024). ; |
Approved |
Most recent IF: 8.867 |
Call Number |
UA @ lucian @ c:irua:144763 |
Serial |
4669 |
Permanent link to this record |
|
|
|
Author |
Kamaraj, B.; Purohit, R. |
Title |
Mutational Analysis on Membrane Associated Transporter Protein (MATP) and Their Structural Consequences in Oculocutaeous Albinism Type 4 (OCA4)A Molecular Dynamics Approach |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Journal of cellular biochemistry |
Abbreviated Journal |
J Cell Biochem |
Volume |
117 |
Issue |
11 |
Pages |
2608-2619 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000383626800017 |
Publication Date |
2016-03-28 |
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 |
0730-2312 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.085 |
Times cited |
28 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.085 |
Call Number |
UA @ lucian @ c:irua:144634 |
Serial |
4671 |
Permanent link to this record |
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Author |
Wang, W.; Patil, B.; Heijkers, S.; Hessel, V.; Bogaerts, A. |
Title |
Nitrogen fixation by gliding arc plasma : better insight by chemical kinetics modelling |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
Volume |
10 |
Issue |
10 |
Pages |
2145-2157 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The conversion of atmospheric nitrogen into valuable compounds, that is, so-called nitrogen fixation, is gaining increased interest, owing to the essential role in the nitrogen cycle of the biosphere. Plasma technology, and more specifically gliding arc plasma, has great potential in this area, but little is known about the underlying mechanisms. Therefore, we developed a detailed chemical kinetics model for a pulsed-power gliding-arc reactor operating at atmospheric pressure for nitrogen oxide synthesis. Experiments are performed to validate the model and reasonable agreement is reached between the calculated and measured NO and NO2 yields and the corresponding energy efficiency for NOx formation for different N2/O2 ratios, indicating that the model can provide a realistic picture of the plasma chemistry. Therefore, we can use the model to investigate the reaction pathways for the formation and loss of NOx. The results indicate that vibrational excitation of N2 in the gliding arc contributes significantly to activating the N2 molecules, and leads to an energy efficient way of NOx production, compared to the thermal process. Based on the underlying chemistry, the model allows us to propose solutions on how to further improve the NOx formation by gliding arc technology. Although the energy efficiency of the gliding-arc-based nitrogen fixation process at the present stage is not comparable to the world-scale HaberBosch process, we believe our study helps us to come up with more realistic scenarios of entering a cutting-edge innovation in new business cases for the decentralised production of fertilisers for agriculture, in which low-temperature plasma technology might play an important role. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000402122100006 |
Publication Date |
2017-03-08 |
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 |
1864-5631 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
7.226 |
Times cited |
42 |
Open Access |
OpenAccess |
Notes |
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Approved |
Most recent IF: 7.226 |
Call Number |
UA @ lucian @ c:irua:143261 |
Serial |
4672 |
Permanent link to this record |
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Author |
Kong, L.; Wang, W.; Murphy, A.B.; Xia, G. |
Title |
Numerical analysis of direct-current microdischarge for space propulsion applications using the particle-in-cell/Monte Carlo collision (PIC/MCC) method |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
Volume |
50 |
Issue |
16 |
Pages |
165203 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Microdischarges are an important type of plasma discharge that possess several unique characteristics, such as the presence of a stable glow discharge, high plasma density and intense excimer radiation, leading to several potential applications. The intense and controllable gas heating within the extremely small dimensions of microdischarges has been exploited in microthruster technologies by incorporating a micro-nozzle to generate the thrust. This kind of microthruster has a significantly improved specific impulse performance compared to conventional cold gas thrusters, and can meet the requirements arising from the emerging development and application of micro-spacecraft. In this paper, we performed a self-consistent 2D particle-in-cell simulation, with a Monte Carlo collision model, of a microdischarge operating in a prototype micro-plasma thruster with a hollow cylinder geometry and a divergent micro-nozzle. The model takes into account the thermionic electron emission including the Schottky effect, the secondary electron emission due to cathode bombardment by the plasma ions, several different collision processes, and a non-uniform argon background gas density in the cathode-anode gap. Results in the high-pressure (several hundreds of Torr), high-current (mA) operating regime showing the behavior of the plasma density, potential distribution, and energy flux towards the hollow cathode and anode are presented and discussed. In addition, the results of simulations showing the effect of different argon gas pressures, cathode material work function and discharge voltage on the operation of the microdischarge thruster are presented. Our calculated properties are compared with experimental data under similar conditions and qualitative and quantitative agreements are reached. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000398856300001 |
Publication Date |
2017-02-22 |
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 |
Impact Factor |
2.588 |
Times cited |
8 |
Open Access |
OpenAccess |
Notes |
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Approved |
Most recent IF: 2.588 |
Call Number |
UA @ lucian @ c:irua:143642 |
Serial |
4674 |
Permanent link to this record |
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Author |
de de Meux, A.J.; Pourtois, G.; Genoe, J.; Heremans, P. |
Title |
Origin of the apparent delocalization of the conduction band in a high-mobility amorphous semiconductor |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
Volume |
29 |
Issue |
25 |
Pages |
255702 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this paper, we show that the apparent delocalization of the conduction band reported from first-principles simulations for the high-mobility amorphous oxide semiconductor InGaZnO4 (a-IGZO) is an artifact induced by the periodic conditions imposed to the model. Given a sufficiently large unit-cell dimension (over 40 angstrom), the conduction band becomes localized. Such a model size is up to four times the size of commonly used models for the study of a-IGZO. This finding challenges the analyses done so far on the nature of the defects and on the interpretation of numerous electrical measurements. In particular, we re-interpret the meaning of the computed effective mass reported so far in literature. Our finding also applies to materials such as SiZnSnO, ZnSnO, InZnSnO, In2O3 or InAlZnO4 whose models have been reported to display a fully delocalized conduction band in the amorphous phase. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000402434900002 |
Publication Date |
2017-02-15 |
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 |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.649 |
Times cited |
5 |
Open Access |
Not_Open_Access |
Notes |
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Approved |
Most recent IF: 2.649 |
Call Number |
UA @ lucian @ c:irua:144183 |
Serial |
4676 |
Permanent link to this record |
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Author |
de de Meux, A.J.; Bhoolokam, A.; Pourtois, G.; Genoe, J.; Heremans, P. |
Title |
Oxygen vacancies effects in a-IGZO : formation mechanisms, hysteresis, and negative bias stress effects |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Physica status solidi : A : applications and materials science |
Abbreviated Journal |
Phys Status Solidi A |
Volume |
214 |
Issue |
6 |
Pages |
1600889 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The amorphous oxide semiconductor Indium-Gallium-Zinc-Oxide (a-IGZO) has gained a large technological relevance as a semiconductor for thin-film transistors in active-matrix displays. Yet, major questions remain unanswered regarding the atomic origin of threshold voltage control, doping level, hysteresis, negative bias stress (NBS), and negative bias illumination stress (NBIS). We undertake a systematic study of the effects of oxygen vacancies on the properties of a-IGZO by relating experimental observations to microscopic insights gained from first-principle simulations. It is found that the amorphous nature of the semiconductor allows unusually large atomic relaxations. In some cases, oxygen vacancies are found to behave as perfect shallow donors without the formation of structural defects. Once structural defects are formed, their transition states can vary upon charge and discharge cycles. We associate this phenomenon to a possible presence of hysteresis in the transfer curve of the devices. Under NBS, the creation of oxygen vacancies becomes energetically very stable, hence thermodynamically very likely. This generation process is correlated with the occurrence of the negative bias stress instabilities observed in a-IGZO transistors. While oxygen vacancies can therefore be related to NBS and hysteresis, it appears unlikely from our results that they are direct causes of NBIS, contrary to common belief. |
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 |
000403339900012 |
Publication Date |
2017-03-02 |
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 |
1862-6300 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.775 |
Times cited |
8 |
Open Access |
Not_Open_Access |
Notes |
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Approved |
Most recent IF: 1.775 |
Call Number |
UA @ lucian @ c:irua:144219 |
Serial |
4678 |
Permanent link to this record |
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Author |
Wang, L.; Hu, Z.-Y.; Yang, X.-Y.; Zhang, B.-B.; Geng, W.; Van Tendeloo, G.; Su, B.-L. |
Title |
Polydopamine nanocoated whole-cell asymmetric biocatalysts |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
Volume |
53 |
Issue |
49 |
Pages |
6617-6620 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Our whole-cell biocatalyst with a polydopamine nanocoating shows high catalytic activity (5 times better productivity than the native cell) and reusability (84% of the initial yield after 5 batches, 8 times higher than the native cell) in asymmetric reduction. It also integrates with titania, silica, and magnetic nanoparticles for multi-functionalization. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000403572100018 |
Publication Date |
2017-05-25 |
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 |
1359-7345; 1364-548x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.319 |
Times cited |
15 |
Open Access |
OpenAccess |
Notes |
; This work was supported by PCSIRT (IRT_15R52), NSFC (U1663225, U1662134, 51472190, 51611530672, 51503166), ISTCP (2015DFE52870), HPNSF (2016CFA033), CNPC (PPC2016007) and the China Scholarship Council (CSC). We thank Prof. Damien Hermand (URPhyM in UNamur) for help with cell culture, Ms Noelle Ninane (Narilis in UNamur) for help with CLSM characterization and Ms Siming Wu (WHUT) for help with magnetic property characterization. ; |
Approved |
Most recent IF: 6.319 |
Call Number |
UA @ lucian @ c:irua:144185 |
Serial |
4681 |
Permanent link to this record |
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Author |
Semkina, A.S.; Abakumov, M.A.; Abakumov, A.M.; Nukolova, N.V.; Chekhonin, V.P. |
Title |
Relationship between the Size of Magnetic Nanoparticles and Efficiency of MRT Imaging of Cerebral Glioma in Rats |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Bulletin of experimental biology and medicine |
Abbreviated Journal |
B Exp Biol Med+ |
Volume |
161 |
Issue |
2 |
Pages |
292-295 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
BSA-coated Fe3O4 nanoparticles with different hydrodynamic diameters (36 +/- 4 and 85 +/- 10 nm) were synthesized, zeta potential and T2 relaxivity were determined, and their morphology was studied by transmission electron microscopy. Studies on rats with experimental glioma C6 showed that smaller nanoparticles more effectively accumulated in the tumor and circulated longer in brain vessels. Optimization of the hydrodynamic diameter improves the efficiency of MRT contrast agent. |
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 |
Editor |
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Language |
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Wos |
000380118500022 |
Publication Date |
2016-07-07 |
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 |
0007-4888 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
0.456 |
Times cited |
5 |
Open Access |
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Notes |
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Approved |
Most recent IF: 0.456 |
Call Number |
UA @ lucian @ c:irua:144707 |
Serial |
4684 |
Permanent link to this record |
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Author |
De Decker, J.; Folens, K.; De Clercq, J.; Meledina, M.; Van Tendeloo, G.; Du Laing, G.; Van Der Voort, P. |
Title |
Ship-in-a-bottle CMPO in MIL-101(Cr) for selective uranium recovery from aqueous streams through adsorption |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
J Hazard Mater |
Volume |
335 |
Issue |
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Pages |
1-9 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Mesoporous MIL-101(Cr) is used as host for a ship-in-a-bottle type adsorbent for selective U(VI) recovery from aqueous environments. The acid-resistant cage-type MOF is built in-situ around N,N-Diisobutyl-2-(octylphenylphosphoryl)acetamide (CMPO), a sterically demanding ligand with high U(VI) affinity. This one-step procedure yields an adsorbent which is an ideal compromise between homogeneous and heterogeneous systems, where the ligand can act freely within the pores of MIL-101, without leaching, while the adsorbent is easy separable and reusable. The adsorbent was characterized by XRD, FTIR spectroscopy, nitrogen adsorption, XRF, ADF-STEM and EDX, to confirm and quantify the successful encapsulation of the CMPO in MIL-101, and the preservation of the host. Adsorption experiments with a central focus on U(VI) recovery were performed. Very high selectivity for U(VI) was observed, while competitive metal adsorption (rare earths, transition metals...) was almost negligible. The adsorption capacity was calculated at 5.32 mg U/g (pH 3) and 27.99 mg U/g (pH 4), by fitting equilibrium data to the Langmuir model. Adsorption kinetics correlated to the pseudo-second-order model, where more than 95% of maximum uptake is achieved within 375 min. The adsorbed U(VI) is easily recovered by desorption in 0.1 M HNO3. Three adsorption/desorption cycles were performed. (C) 2017 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 |
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Language |
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Wos |
000402948600001 |
Publication Date |
2017-04-09 |
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 |
0304-3894 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.065 |
Times cited |
35 |
Open Access |
OpenAccess |
Notes |
; The authors acknowledge the AUGent/UGent for financial support, Grant Number DEF12/AOP/008 fund IV1. ; |
Approved |
Most recent IF: 6.065 |
Call Number |
UA @ lucian @ c:irua:144153 |
Serial |
4685 |
Permanent link to this record |