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Records |
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Author |
da Silva, A.T.; Legrand, S.; van der Snickt, G.; Featherstone, R.; Janssens, K.; Bottinelli, G. |
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Title |
MA-XRF imaging on Rene Magritte's La condition humaine : insights into the artist's palette and technique and the discovery of a third quarter of La pose enchantee |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Heritage science |
Abbreviated Journal |
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Volume |
5 |
Issue |
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Pages |
37 |
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Keywords |
A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Magritte's composition La condition humaine, 1935 was found to conceal under its paint layers an entire quarter of a lost composition by the artist, until recently only known from a small black/white catalogue illustration-La pose enchantee, 1927. This study is the latest contribution to the discovery of the artist's missing painting, now known to have been cut into four parts and re-used by Magritte as the support for new compositions. Non-destructive analytical and examination methods and specifically macroscopic X-ray fluorescence (MAXRF) scanning and conventional X-ray radiography (XRR) were the two non-destructive analytical and examination methods used to study both compositions and add to the existing knowledge on the artist's palette during both periods. The first method is capable of identifying the presence and the distribution of key chemical elements present in artists' materials. In some instances elemental mapping provided useful information on the hidden painting, but conventional X-ray radiography (XRR) enabled a better visualisation of the form and paint application of the underlying composition. Furthermore, the turnover edges of the canvas reveal after over 80 years the artist's palette directly to the viewer. Additional XRF scanning of this exposed paint has confirmed and added to the existing research published to date of this lost painting, including a proposed colour reconstruction, but at the same time highlighting the need for further analytical research involving both non-destructive point analysis and the use of paint samples. |
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Wos  |
000410413500001 |
Publication Date |
2017-08-04 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2050-7445 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
7 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:145695 |
Serial |
5696 |
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Author |
Wang, H.; Wang, W.; Yan, J.D.; Qi, H.; Geng, J.; Wu, Y. |
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Title |
Thermodynamic properties and transport coefficients of a two-temperature polytetrafluoroethylene vapor plasma for ablation-controlled discharge applications |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
50 |
Issue |
39 |
Pages |
395204 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Ablation-controlled plasmas have been used in a range of technical applications where local thermodynamic equilibrium (LTE) is often violated near the wall due to the strong cooling effect caused by the ablation of wall materials. The thermodynamic and transport properties of ablated polytetrafluoroethylene (PTFE) vapor, which determine the flowing plasma behavior in such applications, are calculated based on a two-temperature model at atmospheric pressure. To our knowledge, no data for PTFE have been reported in the literature. The species composition and thermodynamic properties are numerically determined using the two-temperature Saha equation and the Guldberg-Waage equation according to van de Sanden et al's derivation. The transport coefficients, including viscosity, thermal conductivity and electrical conductivity, are calculated with the most recent collision interaction potentials using Devoto's electron and heavy-particle decoupling approach but expanded to the third-order approximation (second-order for viscosity) in the frame of the Chapman-Enskog method. Results are computed for different degrees of thermal non-equilibrium, i.e. the ratio of electron to heavy-particle temperatures, from 1 to 10, with electron temperature ranging from 300 to 40 000 K. Plasma transport properties in the LTE state obtained from the present work are compared with existing published results and the causes for the discrepancy analyzed. The two-temperature plasma properties calculated in the present work enable the modeling of wall ablation-controlled plasma processes. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
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Wos |
000410390100001 |
Publication Date |
2017-07-04 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
3 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 2.588 |
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Call Number |
UA @ lucian @ c:irua:145603 |
Serial |
4754 |
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Author |
Bekaert, J.; Aperis, A.; Partoens, B.; Oppeneer, P.M.; Milošević, M.V. |
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Title |
Evolution of multigap superconductivity in the atomically thin limit : strain-enhanced three-gap superconductivity in monolayer MgB2 |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
96 |
Issue |
9 |
Pages |
094510 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Starting from first principles, we show the formation and evolution of superconducting gaps in MgB2 at its ultrathin limit. Atomically thin MgB2 is distinctly different from bulk MgB2 in that surface states become comparable in electronic density to the bulklike sigma and pi bands. Combining the ab initio electron-phonon coupling with the anisotropic Eliashberg equations, we showthat monolayer MgB2 develops three distinct superconducting gaps, on completely separate parts of the Fermi surface due to the emergent surface contribution. These gaps hybridize nontrivially with every extra monolayer added to the film owing to the opening of additional coupling channels. Furthermore, we reveal that the three-gap superconductivity in monolayer MgB2 is robust over the entire temperature range that stretches up to a considerably high critical temperature of 20 K. The latter can be boosted to >50K under biaxial tensile strain of similar to 4%, which is an enhancement that is stronger than in any other graphene-related superconductor known to date. |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000410166800008 |
Publication Date |
2017-09-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
56 |
Open Access |
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Notes |
; This work was supported by TOPBOF-UAntwerp, Research Foundation-Flanders (FWO), the Swedish Research Council (VR), and the Rontgen-Angstrom Cluster. The first-principles calculations have been carried out on the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Centre (VSC), supported financially by the Hercules Foundation and the Flemish Government (EWI Department). Eliashberg theory calculations were supported through the Swedish National Infrastructure for Computing (SNIC). ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:145623 |
Serial |
4741 |
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Author |
Pour, M.D.; Motiee, N.; Barati, A.A.; Taheri, F.; Azadi, H.; Gebrehiwot, K.; Lebailly, P.; Van Passel, S.; Witlox, F. |
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Title |
Impacts of the Hara biosphere reserve on livelihood and welfare in Persian Gulf |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Ecological Economics |
Abbreviated Journal |
Ecol Econ |
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Volume |
141 |
Issue |
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Pages |
76-86 |
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Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
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Abstract |
Despite the importance of biosphere reserves in Iran's livelihood and welfare, the economic significance of Hara Biosphere Reserve has never been comprehensively studied. This study examines the current importance of Hara Biosphere Reserve (HBR) in local livelihood and welfare. Using a household survey, data were collected through a questionnaire, key informant interviews and direct observations. Two hundred and forty-four households were randomly selected from 10 villages through proportional sampling. Results showed that non-environmental income was the first driver of the total income, poverty alleviation and narrowing income inequality gap. Park income was the second. The results also showed that excluding park income from total income would significantly increase headcount poverty, widen the poverty gap, and raise the Gini coefficient. Wealthier households had the greatest absolute income from the environment, including forest, fishing and fodder. However, the poorest group had smallest absolute income from these sources. Thus, the study demonstrated that wealthier households are responsible for the overharvesting of environmental resources. Interestingly, the study showed that wealthier households are more dependent on profitable environmental incomes sources while the poorest are more dependent on non-profitable ones. (C) 2017 Elsevier B.V. All rights reserved. |
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Wos |
000410013200008 |
Publication Date |
2017-06-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0921-8009; 1873-6106 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
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Impact Factor |
2.965 |
Times cited |
7 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 2.965 |
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Call Number |
UA @ admin @ c:irua:145602 |
Serial |
6214 |
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Author |
Leus, K.; Perez, J.P.H.; Folens, K.; Meledina, M.; Van Tendeloo, G.; Du Laing, G.; Van Der Voort, P. |
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Title |
UiO-66-(SH)2 as stable, selective and regenerable adsorbent for the removal of mercury from water under environmentally-relevant conditions |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Faraday discussions |
Abbreviated Journal |
Faraday Discuss |
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Volume |
201 |
Issue |
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Pages |
145-161 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The dithiol functionalized UiO-66-(SH)(2) is developed as an efficient adsorbent for the removal of mercury in aqueous media. Important parameters for the application of MOFs in real-life circumstances include: stability and recyclability of the adsorbents, selectivity for the targeted Hg species in the presence of much higher concentrations of interfering species, and ability to purify wastewater below international environmental limits within a short time. We show that UiO-66-(SH)(2) meets all these criteria. |
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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 |
000409366000009 |
Publication Date |
2017-06-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1359-6640 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.588 |
Times cited |
18 |
Open Access |
Not_Open_Access |
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Notes |
; J. P. H. P. is grateful for the funding from the Vlaamse Interuniversitaire Raad-Universitaire Ontwikkelingssamenwerking (VLIR-UOS). K. L. acknowledges the financial support from the Ghent University BOF Postdoctoral Grant (01P06813T). ; |
Approved |
Most recent IF: 3.588 |
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Call Number |
UA @ lucian @ c:irua:145653 |
Serial |
4757 |
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Author |
Cabal, A.; Legrand, S.; Van den Bril, B.; Tote, K.; Janssens, K.; van Espen, P. |
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Title |
Study of the uniformity of aerosol filters by scanning MA-XRF |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
X-ray spectrometry
T2 – 17th European Conference on X-Ray Spectrometry (EXRS), JUN 19-24, 2016, Univ Gothenburg, Univ Gothenburg, Gothenburg, SWEDEN |
Abbreviated Journal |
X-Ray Spectrom |
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Volume |
46 |
Issue |
5 |
Pages |
461-466 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Energy-dispersive X-ray fluorescence (XRF) is an attractive analytical method to determine the level of air pollution by heavy metals. The concentration of the filter in ng/cm(2) is obtained by direct comparison of the net characteristic line intensity of an element with that of a thin film standard. As the sampled area on the filter and the area of the standard are larger than the area analysed by the instrument, the distribution of the elements on the surface of both samples and standards have to be sufficiently uniform. If this is not the case, biased concentration estimates are obtained. Two scanning macro-XRF setups with a beam diameter of similar to 0.5 mm were used to investigate the distribution of elements in (1) commercially available (Micromatter) standards, (2) in-house quartz filter standards obtained with an aerosol generator and (3) particulatematter (PM10) collected on quartz filters by a Leckel SEQ 47/50 sampler. The uniformity of the Micromatter standards was better than 2%. At least some in-house standards showed a concave distribution with less material at the edges. The maximum bias introduced by this is less than 5%. Because of the limited sensitivity of scanning XRF compared with conventional XRF, the distribution of only a few common elements like Ca and Fe could be determined reliably in aerosol filters. The distribution of some heavy elements could only be measured in filters sampled in polluted regions. In general, the loading of particulate matter over the filters was uniform. Copyright (C) 2017 John Wiley & Sons, Ltd. |
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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 |
000409246400026 |
Publication Date |
2017-03-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0049-8246 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.298 |
Times cited |
4 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 1.298 |
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Call Number |
UA @ admin @ c:irua:145644 |
Serial |
5852 |
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Author |
Michel, K.H.; Scuracchio, P.; Peeters, F.M. |
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Title |
Sound waves and flexural mode dynamics in two-dimensional crystals |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
96 |
Issue |
9 |
Pages |
094302 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Starting from a Hamiltonian with anharmonic coupling between in-plane acoustic displacements and outof-plane (flexural) modes, we derived coupled equations of motion for in-plane displacements correlations and flexural mode density fluctuations. Linear response theory and time-dependent thermal Green's functions techniques are applied in order to obtain different response functions. As external perturbations we allow for stresses and thermal heat sources. The displacement correlations are described by a Dyson equation where the flexural density distribution enters as an additional perturbation. The flexural density distribution satisfies a kinetic equation where the in-plane lattice displacements act as a perturbation. In the hydrodynamic limit this system of coupled equations is at the basis of a unified description of elastic and thermal phenomena, such as isothermal versus adiabatic sound motion and thermal conductivity versus second sound. The general theory is formulated in view of application to graphene, two-dimensional h-BN, and 2H-transition metal dichalcogenides and oxides. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000409246200003 |
Publication Date |
2017-09-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:145630 |
Serial |
4751 |
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Author |
Saberi-Pouya, S.; Vazifehshenas, T.; Salavati-fard, T.; Farmanbar, M. |
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Title |
Anisotropic hybrid excitation modes in monolayer and double-layer phosphorene on polar substrates |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
96 |
Issue |
11 |
Pages |
115402 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We investigate the anisotropic hybrid surface optical (SO) phonon-plasmon dispersion relations in monolayer and double-layer phosphorene systems located on the polar substrates, such as SiO2, h-BN, and Al2O3. We calculate these hybrid modes by using the dynamical dielectric function in the random phase approximation in which the electron-electron interaction and long-range electric field generated by the substrate SO phonons via Frohlich interaction are taken into account. In the long-wavelength limit, we obtain some analytical expressions for the hybrid SO phonon-plasmon dispersion relations which agree with those obtained from the loss function. Our results indicate a strong anisotropy in SO phonon-plasmon modes, which are stronger along the light-mass direction in our heterostructures. Furthermore, we find that the type of substrate has a significant effect on the dispersion relations of the coupled modes. Importantly, the hybrid excitations are apparently sensitive to the misalignment and separation between layers in double-layer phosphorene. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000408826200004 |
Publication Date |
2017-09-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:145665 |
Serial |
4737 |
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Author |
Yao, X.; Amin-Ahmadi, B.; Li, Y.; Cao, S.; Ma, X.; Zhang, X.-P.; Schryvers, D. |
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Title |
Optimization of Automated Crystal Orientation Mapping in a TEM for Ni4Ti3 Precipitation in All-Round SMA |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Shape memory and superelasticity |
Abbreviated Journal |
Shap Mem Superelasticity |
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Volume |
2 |
Issue |
2 |
Pages |
286-297 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Automated crystal orientation and phase mapping in TEM are applied to the quantification of Ni4Ti3 precipitates in Ni–Ti shape memory alloys which will be used for the implantation of artificial sphincters operating using the all-round shape memory effect. This paper focuses on the optimization process of the technique to obtain best values for all major parameters in the acquisition of electron diffraction patterns as well as template generation. With the obtained settings, vast statistical data on nano- and microstructures essential to the operation of these shape memory devices become available. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000408743700001 |
Publication Date |
2016-11-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2199-384X |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
2 |
Open Access |
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Notes |
X. Yao gratefully acknowledges the Chinese Scholarship Council (CSC) for providing a PhD scholarship. Research support was also provided by the Key Project of the Natural Science Foundation of Guangdong Province (S2013020012805) and the Natural Science Foundation of China under Grant No. 51401081. |
Approved |
Most recent IF: NA |
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Call Number |
EMAT @ emat @ c:irua:138600 |
Serial |
4324 |
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Author |
Dabaghmanesh, S.; Sarmadian, N.; Neyts, E.C.; Partoens, B. |
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Title |
A first principles study of p-type defects in LaCrO3 |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
19 |
Issue |
34 |
Pages |
22870-22876 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Recently, Sr-doped LaCrO3 has been experimentally introduced as a new p-type transparent conducting oxide. It is demonstrated that substituting Sr for La results in inducing p-type conductivity in LaCrO3. Performing first principles calculations we study the electronic structure and formation energy of various point defects in LaCrO3. Our results for the formation energies show that in addition to Sr, two more divalent defects, Ca and Ba, substituting for La in LaCrO3, behave as shallow acceptors in line with previous experimental reports. We further demonstrate that under oxygen-poor growth conditions, these shallow acceptors will be compensated by intrinsic donor-like defects (an oxygen vacancy and Cr on an oxygen site), but in the oxygen-rich growth regime the shallow acceptors have the lowest formation energies between all considered defects and will lead to p-type conductivity. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000408671600026 |
Publication Date |
2017-08-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1463-9076; 1463-9084 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.123 |
Times cited |
16 |
Open Access |
OpenAccess |
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| |
Notes |
; This work was supported by SIM vzw, Technologiepark 935, BE-9052 Zwijnaarde, Belgium, within the InterPoCo project of the H-INT-S horizontal program. The computational resources and services were provided by the Flemish Supercomputer Center and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government. ; |
Approved |
Most recent IF: 4.123 |
|
| |
Call Number |
UA @ lucian @ c:irua:145621 |
Serial |
4735 |
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| Permanent link to this record |
| |
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| |
|
Author |
Lybaert, J.; Tehrani, K.A.; De Wael, K. |
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| |
Title |
Mediated electrolysis of vicinal diols by neocuproine palladium catalysts |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Electrochimica acta |
Abbreviated Journal |
Electrochim Acta |
|
| |
Volume |
247 |
Issue |
|
Pages |
685-691 |
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| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Organic synthesis (ORSY) |
|
| |
Abstract |
Synthetic electrochemistry agrees well with the principles of sustainable chemistry, therefore it is considered as a more environmentally friendly approach than some current synthetic methods Here, we present a new strategy for the chemoselective oxidation of vicinal diols, viz. the integration of neocuproine palladium catalysts and electrosynthesis. Benzoquinones are used as an effective mediator as the reduced species (hydroquinones) can be easily reoxidized at relative low potentials at an electrode surface. NeocuproinePd(OAc)2 efficiently works as a catalyst in an electrolysis reaction for vicinal diols at room temperature. This is a remarkable observation given the fact that aerobic oxidation reactions of alcohols typically need a more complex catalyst, i.e. [neocuproinePdOAc]2[OTf]2. In this article we describe the optimization of the electrolysis conditions for the neocuproinePd(OAc)2 catalyst to selectively oxidize diols. The suggested approach leads to conversion of alcohols with high yields and provides an interesting alternative to perform oxidation reactions under mild conditions by the aid of electrochemistry. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
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Wos |
000408582300072 |
Publication Date |
2017-07-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0013-4686 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.798 |
Times cited |
|
Open Access |
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| |
Notes |
; ; |
Approved |
Most recent IF: 4.798 |
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| |
Call Number |
UA @ admin @ c:irua:144118 |
Serial |
5706 |
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| Permanent link to this record |
| |
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| |
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Author |
Rezaei, M.; Sisakht, E.T.; Fazileh, F.; Aslani, Z.; Peeters, F.M. |
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| |
Title |
Tight-binding model investigation of the biaxial strain induced topological phase transition in GeCH3 |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
96 |
Issue |
8 |
Pages |
085441 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We propose a tight-binding (TB) model, that includes spin-orbit coupling (SOC), to describe the electronic properties of methyl-substituted germanane (GeCH3). This model gives an electronic spectrum in agreement with first principle results close to the Fermi level. Using the Z(2) formalism, we show that a topological phase transition from a normal insulator (NI) to a quantum spin Hall (QSH) phase occurs at 11.6% biaxial tensile strain. The sensitivity of the electronic properties of this system on strain, in particular its transition to the topological insulating phase, makes it very attractive for applications in strain sensors and other microelectronic applications. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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| |
Language |
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Wos |
000408570800004 |
Publication Date |
2017-08-29 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
10 |
Open Access |
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| |
Notes |
; ; |
Approved |
Most recent IF: 3.836 |
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| |
Call Number |
UA @ lucian @ c:irua:145697 |
Serial |
4755 |
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| Permanent link to this record |
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| |
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Author |
Van Passel, S.; Massetti, E.; Mendelsohn, R. |
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| |
Title |
A Ricardian analysis of the impact of climate change on European agriculture |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Environmental & Resource Economics |
Abbreviated Journal |
Environ Resour Econ |
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| |
Volume |
67 |
Issue |
4 |
Pages |
725-760 |
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| |
Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
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| |
Abstract |
This research estimates the impact of climate on European agriculture using a continental scale Ricardian analysis. Climate, soil, geography and regional socio-economic variables are matched with farm level data from 41,030 farms across Western Europe. We demonstrate that a median quantile regression outperforms OLS given farm level data. The results suggest that European farms are slightly more sensitive to warming than American farms with impacts from +5 to −32 % by 2100 depending on the climate scenario. Farms in Southern Europe are predicted to be particularly sensitive, suffering losses of −5 to −9 % per degree Celsius. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000408358900005 |
Publication Date |
2016-03-05 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0924-6460 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.582 |
Times cited |
15 |
Open Access |
|
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| |
Notes |
; The authors would kindly want to express their gratitude towards DG AGRI for access to the Farm Accountancy Data Network (FADN). Steven Van Passel also thanks FWO for funding his research stay at Yale University. Steven Van Passel is also obliged to the OECD for awarding a fellowship of the co-operative research program `Biological Resource Management for Sustainable Agricultural Systems'. Emanuele Massetti gratefully acknowledges funding from the Marie Curie IOF Cli-EMA “Climate change impacts-Economic modelling and analysis”. ; |
Approved |
Most recent IF: 1.582 |
|
| |
Call Number |
UA @ admin @ c:irua:139041 |
Serial |
6246 |
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| Permanent link to this record |
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| |
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Author |
Callewaert, V.; Saniz, R.; Barbiellini, B.; Bansil, A.; Partoens, B. |
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| |
Title |
Application of the weighted-density approximation to the accurate description of electron-positron correlation effects in materials |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
96 |
Issue |
8 |
Pages |
085135 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We discuss positron-annihilation lifetimes for a set of illustrative bulk materials within the framework of the weighted-density approximation (WDA). The WDA can correctly describe electron-positron correlations in strongly inhomogeneous systems, such as surfaces, where the applicability of (semi-)local approximations is limited. We analyze the WDA in detail and show that the electrons which cannot screen external charges efficiently, such as the core electrons, cannot be treated accurately via the pair correlation of the homogeneous electron gas. We discuss how this problem can be addressed by reducing the screening in the homogeneous electron gas by adding terms depending on the gradient of the electron density. Further improvements are obtained when core electrons are treated within the LDA and the valence electron using the WDA. Finally, we discuss a semiempirical WDA-based approach in which a sum rule is imposed to reproduce the experimental lifetimes. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
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Wos |
000408342600003 |
Publication Date |
2017-08-24 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
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| |
ISSN |
2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
|
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| |
Notes |
Fonds Wetenschappelijk Onderzoek, G. 0224.14N ; U.S. Department of Energy, DE-FG02-07ER46352 DE-AC02-05CH11231 DE-SC0012575 ; |
Approved |
Most recent IF: 3.836 |
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| |
Call Number |
CMT @ cmt @c:irua:145703 |
Serial |
4703 |
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| Permanent link to this record |
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Author |
Mahr, C.; Kundu, P.; Lackmann, A.; Zanaga, D.; Thiel, K.; Schowalter, M.; Schwan, M.; Bals, S.; Wittstock, A.; Rosenauer, A. |
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| |
Title |
Quantitative determination of residual silver distribution in nanoporous gold and its influence on structure and catalytic performance |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of catalysis |
Abbreviated Journal |
J Catal |
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| |
Volume |
352 |
Issue |
352 |
Pages |
52-58 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Large efforts have been made trying to understand the origin of the high catalytic activity of dealloyed nanoporous gold as a green catalyst for the selective promotion of chemical reactions at low temperatures. Residual silver, left in the sample after dealloying of a gold-silver alloy, has been shown to have a strong influence on the activity of the catalyst. But the question of how the silver is distributed within the porous structure has not finally been answered yet. We show by quantitative energy dispersive X-ray tomography measurements that silver forms clusters that are distributed irregularly, both on the surface and inside the ligaments building up the porous structure. Furthermore, we find that the role of the residual silver is ambiguous. Whereas CO oxidation is supported by more residual silver, methanol oxidation to methyl formate is hindered. Structural characterisation reveals larger ligaments and pores for decreasing residual silver concentration. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000408299600006 |
Publication Date |
2017-05-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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| |
ISSN |
0021-9517 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.844 |
Times cited |
42 |
Open Access |
OpenAccess |
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| |
Notes |
This work was supported by the Deutsche Forschungsgemeinschaft (DFG) under contracts no. RO2057/12-1 (SP 6) and WI4497/1-1 (SP 2) within the research unit FOR2213 (www.nagocat. de) and the European Research Council (ERC Starting Grant No. 335078-COLOURATOMS). (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); ecas_sara |
Approved |
Most recent IF: 6.844 |
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| |
Call Number |
EMAT @ emat @c:irua:144434UA @ admin @ c:irua:144434 |
Serial |
4623 |
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| Permanent link to this record |
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Author |
Cautaerts, N.; Delville, R.; Dietz, W.; Verwerft, M. |
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Title |
Thermal creep properties of Ti-stabilized DIN 1.4970 (15-15Ti) austenitic stainless steel pressurized cladding tubes |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of nuclear materials |
Abbreviated Journal |
J Nucl Mater |
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| |
Volume |
493 |
Issue |
|
Pages |
154-167 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
This paper presents a large database of thermal creep data from pressurized unirradiated DIN 1.4970 Ti-stabilized austenitic stainless steel (i.e. EN 1515CrNiMoTiB or “15-15Ti”) cladding tubes from more than 1000 bi-axial creep tests conducted during the fast reactor R&D program of the DeBeNe (Deutschland-Belgium- Netherlands) consortium between the 1960's to the late 1980's. The data comprises creep rate and time-to-rupture between 600 and 750 degrees C and a large range of stresses. The data spans tests on material from around 70 different heats and 30 different melts. Around one fourth of the data was obtained from cold worked material, the rest was obtained on cold worked + aged (800 degrees C, 2 h) material. The data are graphically presented in log-log graphs. The creep rate data is fit with a sinh correlation, the time to rupture data is fit with a modified exponential function through the Larson-Miller parameter. Local equivalent parameters to Norton's law are calculated and compared to literature values for these types of steels and related to possible creep mechanisms. Some time to rupture data above 950 degrees C is compared to literature dynamic recrystallization data. Time to rupture data between 600 and 750 degrees C is also compared to literature data from 316 steel. Time to rupture was correlated directly to creep rate with the Monkman-Grant relationship at different temperatures. (C) 2017 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000408044000018 |
Publication Date |
2017-06-11 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0022-3115 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.048 |
Times cited |
5 |
Open Access |
OpenAccess |
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| |
Notes |
; ; |
Approved |
Most recent IF: 2.048 |
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| |
Call Number |
UA @ lucian @ c:irua:145686 |
Serial |
4753 |
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| Permanent link to this record |
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Author |
Weber, D.; Huber, M.; Gorelik, T.E.; Abakumov, A.M.; Becker, N.; Niehaus, O.; Schwickert, C.; Culver, S.P.; Boysen, H.; Senyshyn, A.; Poettgen, R.; Dronskowski, R.; Ressler, T.; Kolb, U.; Lerch, M. |
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| |
Title |
Molybdenum oxide nitrides of the Mo2(O,N,\square)5 type : on the way to Mo2O5 |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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| |
Volume |
56 |
Issue |
15 |
Pages |
8782-8792 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Blue-colored molybdenum oxide nitrides of the Mo-2(O,N,square)(5) type were synthesized by direct nitridation of commercially available molybdenum trioxide with a mixture of gaseous ammonia and oxygen. Chemical composition, crystal structure, and stability of the obtained and hitherto unknown compounds are studied extensively. The average oxidation state of +5 for molybdenum is proven by Mo K near-edge X-ray absorption spectroscopy; the magnetic behavior is in agreement with compounds exhibiting (MoO6)-O-v units. The new materials are stable up to similar to 773 K in an inert gas atmosphere. At higher temperatures, decomposition is observed. X-ray and neutron powder diffraction, electron diffraction, and high-resolution transmission electron microscopy reveal the structure to be related to VNb9O24.9-type phases, however, with severe disorder hampering full structure determination. Still, the results demonstrate the possibility of a future synthesis of the potential binary oxide Mo2O5. On the basis of these findings, a tentative suggestion on the crystal structure of the potential compound Mo2O5, backed by electronic-structure and phonon calculations from first principles, is given. |
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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 |
Easton, Pa |
Editor |
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Language |
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Wos |
000407405500026 |
Publication Date |
2017-07-17 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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| |
ISSN |
0020-1669 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.857 |
Times cited |
3 |
Open Access |
Not_Open_Access |
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| |
Notes |
; Financial support from the Deutsche Forschungsgemeinschaft (SPP 1415, LE 781/ 11-1, DR 342/22-2) is gratefully acknowledged. The authors are grateful to J. Barthel, Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons Julich, Germany, for STEM image simulations. This work was further supported by Diamond Light Source (beamtime awards EE13560) within beamtime proposal SP13560. The Hamburg Synchrotron Radiation Laboratory, HASYLAB, and the FRM II, Garching, are acknowledged for providing beamtime. ; |
Approved |
Most recent IF: 4.857 |
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| |
Call Number |
UA @ lucian @ c:irua:145727 |
Serial |
4744 |
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| Permanent link to this record |
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| |
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Author |
Yang, C.; Laberty-Robert, C.; Batuk, D.; Cibin, G.; Chadwick, A.V.; Pimenta, V.; Yin, W.; Zhang, L.; Tarascon, J.-M.; Grimaud, A. |
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Title |
Phosphate ion functionalization of perovskite surfaces for enhanced oxygen evolution reaction |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
The journal of physical chemistry letters |
Abbreviated Journal |
J Phys Chem Lett |
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| |
Volume |
8 |
Issue |
15 |
Pages |
3466-3472 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Recent findings revealed that surface oxygen can participate in the oxygen evolution reaction (OER) for the most active catalysts, which eventually triggers a new mechanism for which the deprotonation of surface intermediates limits the OER activity. We propose in this work a “dual strategy” in which tuning the electronic properties of the oxide, such as La1-xSrxCoO3-delta, can be dissociated from the use of surface functionalization with phosphate ion groups (P-i) that enhances the interfacial proton transfer. Results show that the P-i functionalized La0.5Sr0.5CoO3-delta gives rise to a significant enhancement of the OER activity when compared to La0.5Sr0.5Co3-delta and LaCoO3. We further demonstrate that the P-i surface functionalization selectivity enhances the activity when the OER kinetics is limited by the proton transfer. Finally, this work suggests that tuning the catalytic activity by such a “dual approach” may be a new and largely unexplored avenue for the design of novel high-performance catalysts. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Chemical Society |
Place of Publication |
Washington, D.C |
Editor |
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Language |
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Wos |
000407191300003 |
Publication Date |
2017-07-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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| |
ISSN |
1948-7185 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
9.353 |
Times cited |
31 |
Open Access |
OpenAccess |
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| |
Notes |
; C.Y., J.-M.T., D.B., and A.G. acknowledge funding from the European Research Council (ERC) (FP/2014)/ERC Grant-Project 670116-ARPEMA. We acknowledge Diamond Light Source for time awarded to the Energy Materials BAG on Beamline B18, under Proposal sp12559. ; |
Approved |
Most recent IF: 9.353 |
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| |
Call Number |
UA @ lucian @ c:irua:145730 |
Serial |
4747 |
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| Permanent link to this record |
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Author |
Esquivel, D.; Ouwehand, J.; Meledina, M.; Turner, S.; Tendeloo, G.V.; Romero-Salguero, F.J.; Clercq, J.D.; Voort, P.V.D. |
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Title |
Thiol-ethylene bridged PMO: A high capacity regenerable mercury adsorbent via intrapore mercury thiolate crystal formation |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
J Hazard Mater |
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| |
Volume |
339 |
Issue |
339 |
Pages |
368-377 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Highly ordered thiol-ethylene bridged Periodic Mesoporous Organosilicas were synthesized directly from a homemade thiol-functionalized bis-silane precursor. These high surface area materials contain up to 4.3 mmol/g sulfur functions in the walls and can adsorb up to 1183 mg/g mercury ions. Raman spectroscopy reveals the existence of thiol and disulfide moieties. These groups have been evaluated by a combination of Raman spectroscopy, Ellman’s reagent and elemental analysis. The adsorption of mercury ions was evidenced by different techniques, including Raman, XPS and porosimetry, which indicate that thiol groups are highly accessible to mercury. Scanning transmission electron microscopy combined with EDX showed an even homogenous distribution of the sulfur atoms throughout the structure, and have revealed for the first time that a fraction of the adsorbed mercury is forming thiolate nanocrystals in the pores. The adsorbent is highly selective for mercury and can be regenerated and reused multiple times, maintaining its structure and functionalities and showing only a marginal loss of adsorption capacity after several runs. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
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Wos |
000407188200040 |
Publication Date |
2017-06-22 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0304-3894 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.065 |
Times cited |
12 |
Open Access |
OpenAccess |
|
| |
Notes |
D.E. thanks the F.W.O. Flanders (Fund Scientific Research) for a postdoctoral grant (3E10813W). J.O. acknowledges also F.W.O. Flanders, research project G006813N, and the research Board of Ghent University, UGent GOA (Concerted Research Actions) (grant 01G00710) for financial support. F. J. R.-S. acknowledges funding of this research by the Spanish Ministry of Economy and Competitiveness (Project MAT2013-44463-R), Andalusian Regional Government (FQM-346 group), and Feder Funds. The Titan microscope used for this investigation was partially funded by the Hercules foundation of the Flemish government. This work was supported by the Belgian IAP-PAI network. |
Approved |
Most recent IF: 6.065 |
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| |
Call Number |
EMAT @ emat @ c:irua:144433 |
Serial |
4624 |
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| Permanent link to this record |
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| |
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Author |
Saberi-Pouya, S.; Vazifehshenas, T.; Salavati-Fard, T.; Farmanbar, M.; Peeters, F.M. |
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| |
Title |
Strong anisotropic optical conductivity in two-dimensional puckered structures : the role of the Rashba effect |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
96 |
Issue |
7 |
Pages |
075411 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
within the Kubo formalism. We show that the anisotropic Rashba effect caused by an external field significantly changes the magnitude of the spin splitting. Furthermore, we obtain an analytical expression for the longitudinal optical conductivity associated with interband transitions as a function of the frequency for arbitrary polarization angle. We find that the diagonal components of the optical conductivity tensor are direction dependent and the optical absorption spectrum exhibits a strongly anisotropic absorption window. The height and width of this absorption window are very sensitive to the anisotropy of the system. While the height of absorption peak increases with increasing effective mass anisotropy ratio, the peak intensity is larger when the light polarization is along the armchair direction. Moreover, the absorption peak width becomes broader as the density-of-states mass or Rashba interaction is enhanced. These features in the optical absorption spectrum can be used to determine parameters relevant for spintronics. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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| |
Language |
|
Wos |
000407097100005 |
Publication Date |
2017-08-09 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
16 |
Open Access |
|
|
| |
Notes |
; ; |
Approved |
Most recent IF: 3.836 |
|
| |
Call Number |
UA @ lucian @ c:irua:145725 |
Serial |
4752 |
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| Permanent link to this record |
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| |
|
Author |
Drijkoningen, S.; Pobedinskas, P.; Korneychuk, S.; Momot, A.; Balasubramaniam, Y.; Van Bael, M.K.; Turner, S.; Verbeeck, J.; Nesladekt, M.; Haenen, K. |
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| |
Title |
On the Origin of Diamond Plates Deposited at Low Temperature |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Crystal growth & design |
Abbreviated Journal |
Cryst Growth Des |
|
| |
Volume |
17 |
Issue |
8 |
Pages |
4306-4314 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
The crucial requirement for diamond growth at low temperatures, enabling a wide range of new applications, is a high plasma density at a low gas pressure, which leads to a low thermal load onto sensitive substrate materials. While these conditions are not within reach for resonance cavity plasma systems, linear antenna microwave delivery systems allow the deposition of high quality diamond films at temperatures around 400 degrees C and at pressures below 1 mbar. In this work the codeposition of high quality plates and octahedral diamond grains in nanocrystalline films is reported. In contrast to previous reports claiming the need for high temperatures (T >= 850 degrees C), low temperatures (320 degrees C <= T <= 410 degrees C) were sufficient to deposit diamond plate structures. Cross-sectional high resolution transmission electron microscopy studies show that these plates are faulty cubic diamond terminated by large {111} surface facets with very little sp(2) bonded carbon in the grain boundaries. Raman and electron energy loss spectroscopy studies confirm a high diamond quality, above 93% sp(3) carbon content. Three potential mechanisms, that can account for the initial development of the observed plates rich with stacking faults, and are based on the presence of impurities, are proposed. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
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Wos |
000407089600031 |
Publication Date |
2017-06-30 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1528-7483 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.055 |
Times cited |
23 |
Open Access |
Not_Open_Access |
|
| |
Notes |
; The Research Foundation – Flanders (FWO) is gratefully acknowledged for financial support in the form of the Postdoctoral Fellowships of P.P. and S.T., contract G.0044.13N “Charge ordering” (S.K., J.V.), the Methusalem “Nano” network, and the Hercules-linear antenna and Raman equipment. ; |
Approved |
Most recent IF: 4.055 |
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| |
Call Number |
UA @ lucian @ c:irua:145735UA @ admin @ c:irua:145735 |
Serial |
4746 |
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| Permanent link to this record |
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| |
|
Author |
Sevik, C.; Wallbank, J.R.; Gulseren, O.; Peeters, F.M.; Çakir, D. |
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| |
Title |
Gate induced monolayer behavior in twisted bilayer black phosphorus |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
|
| |
Volume |
4 |
Issue |
3 |
Pages |
035025 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Optical and electronic properties of black phosphorus strongly depend on the number of layers and type of stacking. Using first-principles calculations within the framework of density functional theory, we investigate the electronic properties of bilayer black phosphorus with an interlayer twist angle of 90 degrees. These calculations are complemented with a simple (k) over right arrow . (p) over right arrow model which is able to capture most of the low energy features and is valid for arbitrary twist angles. The electronic spectrum of 90 degrees twisted bilayer black phosphorus is found to be x-y isotropic in contrast to the monolayer. However x-y anisotropy, and a partial return to monolayer-like behavior, particularly in the valence band, can be induced by an external out-of-plane electric field. Moreover, the preferred hole effective mass can be rotated by 90 degrees simply by changing the direction of the applied electric field. In particular, a +0.4 (-0.4) V angstrom(1) out-of-plane electric field results in a similar to 60% increase in the hole effective mass along the y (x) axis and enhances the m(y)*/m(x)* (m(x)*/m(y)*) ratio as much as by a factor of 40. Our DFT and (k) over right arrow . (p) over right arrow simulations clearly indicate that the twist angle in combination with an appropriate gate voltage is a novel way to tune the electronic and optical properties of bilayer phosphorus and it gives us a new degree of freedom to engineer the properties of black phosphorus based devices. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
IOP Publishing |
Place of Publication |
Bristol |
Editor |
|
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| |
Language |
|
Wos |
000406926600001 |
Publication Date |
2017-08-03 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2053-1583 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.937 |
Times cited |
13 |
Open Access |
|
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| |
Notes |
; This work was supported by the bilateral project between the The Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. We acknowledge the support from TUBITAK (Grant No. 115F024), ERC Synergy grant Hetero2D and the EU Graphene Flagship Project. We also thank Vladimir Fal'ko for helpful discussions. ; |
Approved |
Most recent IF: 6.937 |
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| |
Call Number |
UA @ lucian @ c:irua:145151 |
Serial |
4717 |
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| Permanent link to this record |
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| |
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Author |
Xiao, Y.M.; Xu, W.; Peeters, F.M.; Van Duppen, B. |
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| |
Title |
Multicomponent plasmons in monolayer MoS2 with circularly polarized optical pumping |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
96 |
Issue |
8 |
Pages |
085405 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
By making use of circularly polarized light and electrostatic gating, monolayer molybdenum disulfide (ML – MoS2) can form a platform supporting multiple types of charge carriers. They can be discriminated by their spin, valley index, or whether they are electrons or holes. We investigate the collective properties of those charge carriers and are able to identify distinct plasmon modes. We analyze the corresponding dispersion relation, lifetime, and oscillator strength, and calculate the phase relation between the oscillations in the different components of the plasmon modes. All platforms in ML-MoS2 support a long-wavelength root q plasmon branch at zero kelvins. In addition to this, for an n-component system, n-1 distinct plasmon modes appear as acoustic modes with linear dispersion in the long-wavelength limit. These modes correspond to out-of-phase oscillations in the different fermion liquids and have, although being damped, a relatively long lifetime. Additionally, we also find distinct modes at large wave vectors that are more strongly damped by intraband processes. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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| |
Language |
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Wos |
000406861600001 |
Publication Date |
2017-08-04 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
2 |
Open Access |
|
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| |
Notes |
; Y.M.X. acknowledges financial support from the China Scholarship Council (CSC). B.V.D. is supported by the Flemish Science Foundation (FWO-Vl) through a postdoctoral fellowship. This work was also supported by the National Natural Science Foundation of China (Grants No. 11574319 and No. 11304272), the Ministry of Science and Technology of China (Grant No. 2011YQ130018), the Department of Science and Technology of Yunnan Province, the Applied Basic Research Foundation of Yunnan Province (2013FD003), and the Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 3.836 |
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| |
Call Number |
UA @ lucian @ c:irua:145729 |
Serial |
4745 |
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| Permanent link to this record |
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Author |
Ghorbanfekr-Kalashami, H.; Peeters, F.M.; Novoselov, K.S.; Neek-Amal, M. |
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| |
Title |
Spatial design and control of graphene flake motion |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
96 |
Issue |
6 |
Pages |
060101 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
|
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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| |
Language |
|
Wos |
000406860300001 |
Publication Date |
2017-08-04 |
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| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
3 |
Open Access |
|
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| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. M.N.-A. was supported by Iran National Science Foundation (INSF). K.S.N. was supported by the EU Graphene Flagship Program, European Research Council Synergy Grant Hetero2D, the Royal Society, Engineering and Physical Research Council (UK), US Army Research Office. ; |
Approved |
Most recent IF: 3.836 |
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| |
Call Number |
UA @ lucian @ c:irua:145166 |
Serial |
4724 |
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| Permanent link to this record |
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Author |
Milovanović, S.P.; Tadic, M.Z.; Peeters, F.M. |
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| |
Title |
Graphene membrane as a pressure gauge |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
| |
Volume |
111 |
Issue |
4 |
Pages |
043101 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Straining graphene results in the appearance of a pseudo-magnetic field which alters its local electronic properties. Applying a pressure difference between the two sides of the membrane causes it to bend/bulge resulting in a resistance change. We find that the resistance changes linearly with pressure for bubbles of small radius while the response becomes non-linear for bubbles that stretch almost to the edges of the sample. This is explained as due to the strong interference of propagating electronic modes inside the bubble. Our calculations show that high gauge factors can be obtained in this way which makes graphene a good candidate for pressure sensing. Published by AIP Publishing. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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| |
Language |
|
Wos |
000406779700035 |
Publication Date |
2017-07-24 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0003-6951; 1077-3118 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.411 |
Times cited |
11 |
Open Access |
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| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem program, the Erasmus+ programme, and the Serbian Ministry of Education, Science and Technological Development. ; |
Approved |
Most recent IF: 3.411 |
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| |
Call Number |
UA @ lucian @ c:irua:145202 |
Serial |
4718 |
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| Permanent link to this record |
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| |
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Author |
Zhou, Y.; Ramaneti, R.; Anaya, J.; Korneychuk, S.; Derluyn, J.; Sun, H.; Pomeroy, J.; Verbeeck, J.; Haenen, K.; Kuball, M. |
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| |
Title |
Thermal characterization of polycrystalline diamond thin film heat spreaders grown on GaN HEMTs |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
| |
Volume |
111 |
Issue |
4 |
Pages |
041901 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Polycrystalline diamond (PCD) was grown onto high-k dielectric passivated AlGaN/GaN-on-Si high electron mobility transistor (HEMT) structures, with film thicknesses ranging from 155 to 1000 nm. Transient thermoreflectance results were combined with device thermal simulations to investigate the heat spreading benefit of the diamond layer. The observed thermal conductivity (k(Dia)) of PCD films is one-to-two orders of magnitude lower than that of bulk PCD and exhibits a strong layer thickness dependence, which is attributed to the grain size evolution. The films exhibit a weak temperature dependence of k(Dia) in the measured 25-225 degrees C range. Device simulation using the experimental jDia and thermal boundary resistance values predicts at best a 15% reduction in peak temperature when the source-drain opening of a passivated AlGaN/GaN-on-Si HEMT is overgrown with PCD. Published by AIP Publishing. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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| |
Language |
|
Wos |
000406779700008 |
Publication Date |
2017-07-24 |
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| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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| |
ISSN |
0003-6951; 1077-3118 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.411 |
Times cited |
78 |
Open Access |
Not_Open_Access |
|
| |
Notes |
; The authors are grateful to Professor Michael Uren and Dr. Roland B. Simon (University of Bristol) for helpful discussions and to Dr. Sien Drijkoningen (Hasselt University) for taking the SEM micrographs. This work was in part supported by DARPA under Contract No. FA8650-15-C-7517, monitored by Dr. Avram Bar Cohen and Dr. John Blevins, and supported by Dr. Joseph Maurer and Dr. Abirami Sivananthan. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of DARPA. Y.Z. acknowledges China Scholarship Council for the financial support. S.K. and J.V. acknowledge the FWO-Vlaanderen for financial support under contract G.0044.13N “Charge ordering.” ; |
Approved |
Most recent IF: 3.411 |
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| |
Call Number |
UA @ lucian @ c:irua:145203 |
Serial |
4728 |
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| Permanent link to this record |
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Author |
Grubova, I.Y.; Surmeneva, M.A.; Huygh, S.; Surmenev, R.A.; Neyts, E.C. |
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| |
Title |
Density functional theory study of interface interactions in hydroxyapatite/rutile composites for biomedical applications |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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| |
Volume |
121 |
Issue |
29 |
Pages |
15687-15695 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
To gain insight into the nature of the adhesion mechanism between hydroxyapatite (HA) and rutile (rTiO(2)), the mutual affinity between their surfaces was systematically studied using density functional theory (DFT). We calculated both bulk and surface properties of HA and rTiO(2), and explored the interfacial bonding mechanism of amorphous HA (aHA) surface onto amorphous as well as stoichiometric and nonstoichiometric crystalline rTiO(2). Formation energies of bridging and subbridging oxygen vacancies considered in the rTiO(2)(110) surface were evaluated and compared with other theoretical and experimental results. The interfacial interaction was evaluated through the work of adhesion. For the aHA/rTiO(2)(110) interfaces, the work of adhesion is found to depend strongly on the chemical environment of the rTiO(2)(110) surface. Electronic analysis indicates that the charge transfer is very small in the case of interface formation between aHA and crystalline rTiO(2)(110). In contrast, significant charge transfer occurs between aHA and amorphous rTiO(2) (aTiO(2)) slabs during the formation of the interface. Charge density difference (CDD) analysis indicates that the dominant interactions in the interface have significant covalent character, and in particular the Ti-O and Ca-O bonds. Thus, the obtained results reveal that the aHA/aTiO(2) interface shows a more preferable interaction and is thermodynamically more stable than other interfaces. These results are particularly important for improving the long-term stability of HA-based implants. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| |
Language |
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Wos |
000406726200022 |
Publication Date |
2017-06-27 |
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| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1932-7447; 1932-7455 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.536 |
Times cited |
5 |
Open Access |
Not_Open_Access |
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| |
Notes |
|
Approved |
Most recent IF: 4.536 |
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| |
Call Number |
UA @ lucian @ c:irua:145195 |
Serial |
4715 |
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| Permanent link to this record |
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Author |
Sathiya, M.; Thomas, J.; Batuk, D.; Pimenta, V.; Gopalan, R.; Tarascon, J.-M. |
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| |
Title |
Dual stabilization and sacrificial effect of Na2CO3 for increasing capacities of Na-Ion cells based on P2-NaxMO2 electrodes |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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| |
Volume |
29 |
Issue |
14 |
Pages |
5948-5956 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Sodium ion battery technology is gradually advancing and can be viewed as a viable alternative to lithium ion batteries in niche applications. One of the promising positive electrode candidates is P2 type layered sodium transition metal oxide, which offers attractive sodium ion conductivity. However, the reversible capacity of P2 phases is limited by the inability to directly synthesize stoichiometric compounds with a sodium to transition metal ratio equal to 1. To alleviate this issue, we report herein the in situ synthesis of P2-NaxO2 (x <= 0.7, M = transition metal ions)-Na2CO3 composites. We find that sodium carbonate acts as a sacrificial salt, providing Na+ ion to increase the reversible capacity of the P2 phase in sodium ion full cells, and also as a useful additive that stabilizes the formation of P2 over competing P3 phases. We offer a new phase diagram for tuning the synthesis of the P2 phase under various experimental conditions and demonstrate, by in situ XRD analysis, the role of Na2CO3 as a sodium reservoir in full sodium ion cells. These results provide insights into the practical use of P2 layered materials and can be extended to a variety of other layered phases. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
American Chemical Society |
Place of Publication |
Washington, D.C |
Editor |
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| |
Language |
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Wos |
000406573200026 |
Publication Date |
2017-07-03 |
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| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
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Edition |
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| |
ISSN |
0897-4756 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
9.466 |
Times cited |
26 |
Open Access |
Not_Open_Access |
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| |
Notes |
; M.S., J.T., and R.G. acknowledge the financial support received from the Department of Science and Technology (DST-SERC), Government of India under the funding from the TRC Grant Agreement No. AI/1/65/ARCI/2014. The authors are thankful to Dr. Sundararajan, Chairman, TRC and Dr. G. Padmanabham, Director, ARCI for helpful discussions. Initial microscopy analysis by Dr. M. B. Sahana, Dr. Prabu, and Mr. Ravi Gautham of ARCI are greatly acknowledged. The elemental analysis by Dr. Domitille Giaume, IRCP – ENSCP, Chimie Paris Tech, Paris is greatly acknowledged. ; |
Approved |
Most recent IF: 9.466 |
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| |
Call Number |
UA @ lucian @ c:irua:145759 |
Serial |
4740 |
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| Permanent link to this record |
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Author |
Tang, Y.; Sena, R.P.; Aydeev, M.; Battle, P.D.; Cadogan, J.M.; Hadermann, J.; Hunter, E.C. |
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| |
Title |
Magnetic properties of the 6H perovskite Ba3Fe2TeO9 |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
| |
Volume |
253 |
Issue |
|
Pages |
347-354 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
A polycrystalline sample of Ba3Fe2TeO9 having the 6H perovskite structure has been prepared in a solid-state reaction and studied by a combination of electron microscopy, Mossbauer spectroscopy, magnetometry, X-ray diffraction and neutron diffraction. Partial ordering of Fe3+ and Te6+ cations occurs over the six-coordinate sites; the corner-sharing octahedra are predominantly occupied by the former and the face-sharing octahedra by a 1:1 mixture of the two. On cooling through the temperature range 18 < T/K < 295 an increasing number of spins join an antiferromagnetic backbone running through the structure while the remainder show complex relaxation effects. At 3 K an antiferromagnetic phase and a spin glass coexist. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000406572600047 |
Publication Date |
2017-06-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-4596 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.299 |
Times cited |
6 |
Open Access |
OpenAccess |
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Notes |
; We thank EPSRC for financial support through grant EP/M018954/1. ; |
Approved |
Most recent IF: 2.299 |
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Call Number |
UA @ lucian @ c:irua:145692 |
Serial |
4743 |
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| Permanent link to this record |
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Author |
Van Laer, K.; Bogaerts, A. |
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Title |
How bead size and dielectric constant affect the plasma behaviour in a packed bed plasma reactor: a modelling study |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
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Volume |
26 |
Issue |
26 |
Pages |
085007 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Packed bed plasma reactors (PBPRs) are gaining increasing interest for use in environmental applications, such as greenhouse gas conversion into value-added chemicals or renewable fuels and volatile pollutant removal (e.g. NOx, VOC, K), as they enhance the conversion and energy efficiency of the process compared to a non-packed reactor. However, the plasma behaviour in a PBPR is not well understood. In this paper we demonstrate, by means of a fluid model, that the discharge behaviour changes considerably when changing the size of the packing beads and their dielectric constant, while keeping the interelectrode spacing constant. At low dielectric constant, the plasma is spread out over the full discharge gap, showing significant density in the voids as well as in the connecting void channels. The electric current profile shows a strong peak during each half cycle. When the dielectric constant increases, the plasma becomes localised in the voids, with a current profile consisting of many smaller peaks during each half cycle. For large bead sizes, the shift from full gap discharge to localised discharges takes place at a higher dielectric constant than for smaller beads. Furthermore, smaller beads or beads with a lower dielectric constant require a higher breakdown voltage to cause plasma formation. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000406503600003 |
Publication Date |
2017-07-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1361-6595 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.302 |
Times cited |
22 |
Open Access |
OpenAccess |
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Notes |
K Van Laer is indebted to the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Flanders) for financial support. This research was carried out in the framework of the network on Physical Chemistry of Plasma-Surface Interactions – Interuniversity Attraction Poles, phase VII (http://psi-iap7.ulb.ac.be/), and supported by the Belgian Science Policy Office (BELSPO). The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. |
Approved |
Most recent IF: 3.302 |
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Call Number |
PLASMANT @ plasmant @ c:irua:144796 |
Serial |
4635 |
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| Permanent link to this record |
