| Records |
| Author |
Sathiya, M.; Thomas, J.; Batuk, D.; Pimenta, V.; Gopalan, R.; Tarascon, J.-M. |
| 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 |
| Volume |
29 |
Issue |
14 |
Pages |
5948-5956 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| 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. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Chemical Society |
Place of Publication |
Washington, D.C |
Editor |
|
| Language |
|
Wos |
000406573200026 |
Publication Date |
2017-07-03 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0897-4756 |
ISBN |
|
Additional Links  |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
9.466 |
Times cited |
26 |
Open Access |
Not_Open_Access |
| 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 |
| Call Number |
UA @ lucian @ c:irua:145759 |
Serial |
4740 |
| Permanent link to this record |
| |
|
| |
| Author |
Zebrowski, D.P.; Peeters, F.M.; Szafran, B. |
| Title |
Double quantum dots defined in bilayer graphene |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| Volume |
96 |
Issue |
3 |
Pages |
035434 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Artificial molecular states of double quantum dots defined in bilayer graphene are studied with the atomistic tight-binding method and its low-energy continuum approximation. We indicate that the extended electron wave functions have opposite parities on sublattices of the layers and that the ground-state wave-function components change from bonding to antibonding with the interdot distance. In the weak-coupling limit, the one most relevant for quantum dots defined electrostatically, the signatures of the interdot coupling include, for the two-electron ground state, formation of states with symmetric or antisymmetric spatial wave functions split by the exchange energy. In the high-energy part of the spectrum the states with both electrons in the same dot are found with the splitting of energy levels corresponding to simultaneous tunneling of the electron pair from one dot to the other. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
| Language |
|
Wos |
000406284200005 |
Publication Date |
2017-07-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 3.836 |
| Call Number |
UA @ lucian @ c:irua:145758 |
Serial |
4739 |
| Permanent link to this record |
| |
|
| |
| Author |
Drijkoningen, S.; Pobedinskas, P.; Korneychuk, S.; Momot, A.; Balasubramaniam, Y.; Van Bael, M.K.; Turner, S.; Verbeeck, J.; Nesladekt, M.; Haenen, K. |
| 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. |
| Address |
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| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000407089600031 |
Publication Date |
2017-06-30 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| 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 |
| Call Number |
UA @ lucian @ c:irua:145735UA @ admin @ c:irua:145735 |
Serial |
4746 |
| Permanent link to this record |
| |
|
| |
| Author |
Yang, C.; Laberty-Robert, C.; Batuk, D.; Cibin, G.; Chadwick, A.V.; Pimenta, V.; Yin, W.; Zhang, L.; Tarascon, J.-M.; Grimaud, A. |
| 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 |
| Volume |
8 |
Issue |
15 |
Pages |
3466-3472 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| 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. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Chemical Society |
Place of Publication |
Washington, D.C |
Editor |
|
| Language |
|
Wos |
000407191300003 |
Publication Date |
2017-07-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1948-7185 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
9.353 |
Times cited |
31 |
Open Access |
OpenAccess |
| 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 |
| Call Number |
UA @ lucian @ c:irua:145730 |
Serial |
4747 |
| Permanent link to this record |
| |
|
| |
| Author |
Xiao, Y.M.; Xu, W.; Peeters, F.M.; Van Duppen, B. |
| 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 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| 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. |
| Address |
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| Corporate Author |
|
Thesis |
|
| Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
| Language |
|
Wos |
000406861600001 |
Publication Date |
2017-08-04 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
2 |
Open Access |
|
| 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 |
| Call Number |
UA @ lucian @ c:irua:145729 |
Serial |
4745 |
| Permanent link to this record |
| |
|
| |
| 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. |
| 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 |
| Volume |
56 |
Issue |
15 |
Pages |
8782-8792 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| 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. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Easton, Pa |
Editor |
|
| Language |
|
Wos |
000407405500026 |
Publication Date |
2017-07-17 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0020-1669 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.857 |
Times cited |
3 |
Open Access |
Not_Open_Access |
| 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 |
| Call Number |
UA @ lucian @ c:irua:145727 |
Serial |
4744 |
| Permanent link to this record |
| |
|
| |
| Author |
Saberi-Pouya, S.; Vazifehshenas, T.; Salavati-Fard, T.; Farmanbar, M.; Peeters, F.M. |
| 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 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| 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. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
| Language |
|
Wos |
000407097100005 |
Publication Date |
2017-08-09 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
16 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 3.836 |
| Call Number |
UA @ lucian @ c:irua:145725 |
Serial |
4752 |
| Permanent link to this record |
| |
|
| |
| Author |
Callewaert, V.; Saniz, R.; Barbiellini, B.; Bansil, A.; Partoens, B. |
| 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 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| 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. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000408342600003 |
Publication Date |
2017-08-24 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
|
| 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 |
| Call Number |
CMT @ cmt @c:irua:145703 |
Serial |
4703 |
| Permanent link to this record |
| |
|
| |
| Author |
Rezaei, M.; Sisakht, E.T.; Fazileh, F.; Aslani, Z.; Peeters, F.M. |
| 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 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| 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. |
| Address |
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| Corporate Author |
|
Thesis |
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| Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
| Language |
|
Wos |
000408570800004 |
Publication Date |
2017-08-29 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
10 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 3.836 |
| Call Number |
UA @ lucian @ c:irua:145697 |
Serial |
4755 |
| Permanent link to this record |
| |
|
| |
| Author |
da Silva, A.T.; Legrand, S.; van der Snickt, G.; Featherstone, R.; Janssens, K.; Bottinelli, G. |
| 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 |
| Year |
2017 |
Publication |
Heritage science |
Abbreviated Journal |
|
| Volume |
5 |
Issue |
|
Pages |
37 |
| Keywords |
A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| 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. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
|
Wos |
000410413500001 |
Publication Date |
2017-08-04 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2050-7445 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
7 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:145695 |
Serial |
5696 |
| Permanent link to this record |
| |
|
| |
| Author |
Tang, Y.; Sena, R.P.; Aydeev, M.; Battle, P.D.; Cadogan, J.M.; Hadermann, J.; Hunter, E.C. |
| 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 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| 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. |
| Address |
|
| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000406572600047 |
Publication Date |
2017-06-22 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-4596 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.299 |
Times cited |
6 |
Open Access |
OpenAccess |
| Notes |
; We thank EPSRC for financial support through grant EP/M018954/1. ; |
Approved |
Most recent IF: 2.299 |
| Call Number |
UA @ lucian @ c:irua:145692 |
Serial |
4743 |
| Permanent link to this record |
| |
|
| |
| Author |
Cautaerts, N.; Delville, R.; Dietz, W.; Verwerft, M. |
| 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 |
| Volume |
493 |
Issue |
|
Pages |
154-167 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| 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. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000408044000018 |
Publication Date |
2017-06-11 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3115 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.048 |
Times cited |
5 |
Open Access |
OpenAccess |
| Notes |
; ; |
Approved |
Most recent IF: 2.048 |
| Call Number |
UA @ lucian @ c:irua:145686 |
Serial |
4753 |
| Permanent link to this record |
| |
|
| |
| Author |
Saberi-Pouya, S.; Vazifehshenas, T.; Salavati-fard, T.; Farmanbar, M. |
| Title |
Anisotropic hybrid excitation modes in monolayer and double-layer phosphorene on polar substrates |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| Volume |
96 |
Issue |
11 |
Pages |
115402 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| 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. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
| Language |
|
Wos |
000408826200004 |
Publication Date |
2017-09-01 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 3.836 |
| Call Number |
UA @ lucian @ c:irua:145665 |
Serial |
4737 |
| Permanent link to this record |
| |
|
| |
| Author |
Leus, K.; Perez, J.P.H.; Folens, K.; Meledina, M.; Van Tendeloo, G.; Du Laing, G.; Van Der Voort, P. |
| 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 |
| Year |
2017 |
Publication |
Faraday discussions |
Abbreviated Journal |
Faraday Discuss |
| Volume |
201 |
Issue |
|
Pages |
145-161 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| 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. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000409366000009 |
Publication Date |
2017-06-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1359-6640 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.588 |
Times cited |
18 |
Open Access |
Not_Open_Access |
| 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 |
| Call Number |
UA @ lucian @ c:irua:145653 |
Serial |
4757 |
| Permanent link to this record |
| |
|
| |
| Author |
Cabal, A.; Legrand, S.; Van den Bril, B.; Tote, K.; Janssens, K.; van Espen, P. |
| Title |
Study of the uniformity of aerosol filters by scanning MA-XRF |
Type |
A1 Journal article |
| 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 |
| Volume |
46 |
Issue |
5 |
Pages |
461-466 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| 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. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000409246400026 |
Publication Date |
2017-03-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0049-8246 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.298 |
Times cited |
4 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 1.298 |
| Call Number |
UA @ admin @ c:irua:145644 |
Serial |
5852 |
| Permanent link to this record |
| |
|
| |
| Author |
Tinck, S.; Tillocher, T.; Georgieva, V.; Dussart, R.; Neyts, E.; Bogaerts, A. |
| Title |
Concurrent effects of wafer temperature and oxygen fraction on cryogenic silicon etching with SF6/O2plasmas |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
| Volume |
14 |
Issue |
9 |
Pages |
1700018 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Cryogenic plasma etching is a promising technique for high-control wafer development with limited plasma induced damage. Cryogenic wafer temperatures effectively reduce surface damage during etching, but the fundamental mechanism is not well understood. In this study, the influences of wafer temperature, gas mixture and substrate bias on the (cryogenic) etch rates of Si with SF6/O2 inductively coupled plasmas are experimentally and computationally investigated. The etch rates are measured in situ with double-point reflectometry and a hybrid computational Monte Carlo – fluid model is applied to calculate plasma properties. This work allows the reader to obtain a better insight in the effects of wafer temperature on the etch rate and to find operating conditions for successful anisotropic (cryo)etching. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000410773200012 |
Publication Date |
2017-04-03 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1612-8850 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.846 |
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
Fonds Wetenschappelijk Onderzoek, 0880.212.840 ; Hercules Foundation; Flemish Government (Department EWI); Universiteit Antwerpen; |
Approved |
Most recent IF: 2.846 |
| Call Number |
PLASMANT @ plasmant @c:irua:145637 |
Serial |
4708 |
| Permanent link to this record |
| |
|
| |
| Author |
Michel, K.H.; Scuracchio, P.; Peeters, F.M. |
| Title |
Sound waves and flexural mode dynamics in two-dimensional crystals |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| Volume |
96 |
Issue |
9 |
Pages |
094302 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| 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. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
| Language |
|
Wos |
000409246200003 |
Publication Date |
2017-09-05 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; |
Approved |
Most recent IF: 3.836 |
| Call Number |
UA @ lucian @ c:irua:145630 |
Serial |
4751 |
| Permanent link to this record |
| |
|
| |
| Author |
De Keyser, N.; van der Snickt, G.; Van Loon, A.; Legrand, S.; Wallert, A.; Janssens, K. |
| Title |
Jan Davidsz. de Heem (1606-1684): a technical examination of fruit and flower still lifes combining MA-XRF scanning, cross-section analysis and technical historical sources |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Heritage science |
Abbreviated Journal |
|
| Volume |
5 |
Issue |
|
Pages |
38 |
| Keywords |
A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
This article discusses the technical examination of five flower and fruit still life paintings by the seventeenth century artist Jan Davidsz. de Heem (1606-1684). The painter is known for his meticulously composed and finely detailed still life paintings and is a master in imitating the surface textures of various fruits, flowers, and objects. Macro X-ray fluorescence (MA-XRF) scanning experiments were supplemented with a study of paint cross-sections and contemporary art technical sources with the aim of reconstructing the complex build-up of the overall lay-in of the composition and individual subjects. MA-XRF provided information on the distribution of key chemical elements present in painting materials and made it possible to recapture evidence of the different phases in the artist's working methods: from the application of the ground layers, to De Heem's characteristic oval-shaped underpaintings, and finally, the superposition of multiple paint layers in the working up of the paintings. SEM-EDX analysis of a limited number of paint cross-sections complemented the chemical images with local and layer-specific information on the microscale, providing more accuracy on the layer sequence and enabling the study of elements with a low atomic number for which the non-invasive technique is less sensitive. The results from this technical examination were in addition compared with recipes and paint instructions, to obtain a better understanding of the relation between the general practice and actual painting technique of Jan Davidsz. de Heem. Ultimately, this combined approach uncovered new information on De Heem's artistic practice and demonstrated the complementarity of the methods. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000410414000001 |
Publication Date |
2017-08-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2050-7445 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
5 |
Open Access |
|
| Notes |
; This work is an extension of the Master thesis in Conservation-restoration (University of Antwerp, 2015-2016) of Nouchka De Keyser. Thesis supervisors were Dr. Geert Van der Snickt (Cultural heritage scientist, AXES, UA) and Dr. Olivier Schalm (Research scientist, UA). This research was supported by the Baillet Latour fund. The authors gratefully acknowledge the involved institutes (Rijksmuseum, the Mauritshuis and KMSKA) for the opportunity to examine the still life paintings of Jan Davidsz. de Heem. A great thanks is therefore due to Petria Noble, Pieter Roelofs, Anna Krekeler, Susan Smelt, Robert Erdmann, Abbie Vandivere, Edwin Buijsen and Masayuki Hinoue. SEM-EDX measurements were performed by Katrien Keune, scientific researcher at the Rijksmuseum. ; |
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:145628 |
Serial |
5681 |
| Permanent link to this record |
| |
|
| |
| Author |
Bekaert, J.; Aperis, A.; Partoens, B.; Oppeneer, P.M.; Milošević, M.V. |
| Title |
Evolution of multigap superconductivity in the atomically thin limit : strain-enhanced three-gap superconductivity in monolayer MgB2 |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| Volume |
96 |
Issue |
9 |
Pages |
094510 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| 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. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
| Language |
|
Wos |
000410166800008 |
Publication Date |
2017-09-11 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
56 |
Open Access |
|
| 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 |
| Call Number |
UA @ lucian @ c:irua:145623 |
Serial |
4741 |
| Permanent link to this record |
| |
|
| |
| Author |
Dabaghmanesh, S.; Sarmadian, N.; Neyts, E.C.; Partoens, B. |
| 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 |
| Volume |
19 |
Issue |
34 |
Pages |
22870-22876 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| 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. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
| Language |
|
Wos |
000408671600026 |
Publication Date |
2017-08-01 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.123 |
Times cited |
16 |
Open Access |
OpenAccess |
| 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 |
| Permanent link to this record |
| |
|
| |
| Author |
Zarenia, M.; Neilson, D.; Peeters, F.M. |
| Title |
Inhomogeneous phases in coupled electron-hole bilayer graphene sheets : charge density waves and coupled wigner crystals |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
| Volume |
7 |
Issue |
|
Pages |
11510 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Recently proposed accurate correlation energies are used to determine the phase diagram of strongly coupled electron-hole graphene bilayers. The control parameters of the phase diagram are the charge carrier density and the insulating barrier thickness separating the bilayers. In addition to the electron-hole superfluid phase we find two new inhomogeneous ground states, a one dimensional charge density wave phase and a coupled electron-hole Wigner crystal. The elementary crystal structure of bilayer graphene plays no role in generating these new quantum phases, which are completely determined by the electrons and holes interacting through the Coulomb interaction. The experimental parameters for the new phases lie within attainable ranges and therefore coupled electron-hole bilayer graphene presents itself as an experimental system where novel emergent many-body phases can be realized. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Nature Publishing Group |
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000410739000008 |
Publication Date |
2017-09-11 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2045-2322 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.259 |
Times cited |
13 |
Open Access |
|
| Notes |
; We thank Alex Hamilton, Bart Partoens, and Andrea Perali for useful discussions. This work was partially supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government. D.N. acknowledges support by the University of Camerino FAR project CESEMN. ; |
Approved |
Most recent IF: 4.259 |
| Call Number |
UA @ lucian @ c:irua:145620 |
Serial |
4742 |
| Permanent link to this record |
| |
|
| |
| Author |
Wang, H.; Wang, W.; Yan, J.D.; Qi, H.; Geng, J.; Wu, Y. |
| 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 |
| Volume |
50 |
Issue |
39 |
Pages |
395204 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| 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. |
| Address |
|
| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000410390100001 |
Publication Date |
2017-07-04 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3727 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.588 |
Times cited |
3 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 2.588 |
| Call Number |
UA @ lucian @ c:irua:145603 |
Serial |
4754 |
| Permanent link to this record |
| |
|
| |
| Author |
Pour, M.D.; Motiee, N.; Barati, A.A.; Taheri, F.; Azadi, H.; Gebrehiwot, K.; Lebailly, P.; Van Passel, S.; Witlox, F. |
| Title |
Impacts of the Hara biosphere reserve on livelihood and welfare in Persian Gulf |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Ecological Economics |
Abbreviated Journal |
Ecol Econ |
| Volume |
141 |
Issue |
|
Pages |
76-86 |
| Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
| 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. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000410013200008 |
Publication Date |
2017-06-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-8009; 1873-6106 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
| Impact Factor |
2.965 |
Times cited |
7 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 2.965 |
| Call Number |
UA @ admin @ c:irua:145602 |
Serial |
6214 |
| Permanent link to this record |
| |
|
| |
| Author |
Bal, K.M.; Cautereels, J.; Blockhuys, F. |
| Title |
Structures and spectroscopic properties of sulfur-nitrogen-pnictogen chains : R2P-N=S=N-PR2 and R2P-N=S=N-AsR2 |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Journal of molecular structure |
Abbreviated Journal |
J Mol Struct |
| Volume |
1132 |
Issue |
|
Pages |
102-108 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The conformational and configurational preferences of Me2PNSNPMe2 (3) and Me2PNSNAsMe2 (4) have been identified using quantum chemical calculations at the DFT/B3LYP/6-311+G* level of theory. An approach in which energetic, structural (geometries and bond orders), electronic (analysis of the electron density) and spectroscopic properties are combined leads to the conclusion that these sulfur-nitrogen-pnictogen chains share many of the properties of their chalcogen-nitrogen analogues but that the through-space intramolecular interactions favouring the Z,Z configuration are even weaker than in these latter compounds. The results of this analysis also lead to an unambiguous assignment of the variable-temperature 31P and 15N NMR spectra of these compounds and their structures both in solution and in the solid state. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000393254400015 |
Publication Date |
2016-08-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-2860 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
1.753 |
Times cited |
|
Open Access |
Not_Open_Access: Available from 03.10.2019
|
| Notes |
|
Approved |
Most recent IF: 1.753 |
| Call Number |
UA @ lucian @ c:irua:145533 |
Serial |
4726 |
| Permanent link to this record |
| |
|
| |
| Author |
Aussems, D.U.B.; Bal, K. M.; Morgan, T.W.; van de Sanden, M.C.M.; Neyts, E.C. |
| Title |
Atomistic simulations of graphite etching at realistic time scales |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Chemical science |
Abbreviated Journal |
Chem Sci |
| Volume |
8 |
Issue |
10 |
Pages |
7160-7168 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Hydrogen–graphite interactions are relevant to a wide variety of applications, ranging from astrophysics to fusion devices and nano-electronics. In order to shed light on these interactions, atomistic simulation using Molecular Dynamics (MD) has been shown to be an invaluable tool. It suffers, however, from severe timescale
limitations. In this work we apply the recently developed Collective Variable-Driven Hyperdynamics (CVHD) method to hydrogen etching of graphite for varying inter-impact times up to a realistic value of 1 ms, which corresponds to a flux of 1020 m2 s1. The results show that the erosion yield, hydrogen surface coverage and species distribution are significantly affected by the time between impacts. This can be explained by the higher probability of C–C bond breaking due to the prolonged exposure to thermal stress and the subsequent transition from ion- to thermal-induced etching. This latter regime of thermal-induced etching – chemical erosion – is here accessed for the first time using atomistic simulations. In conclusion, this study demonstrates that accounting for long time-scales significantly affects ion bombardment simulations and should not be neglected in a wide range of conditions, in contrast to what is typically assumed. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000411730500055 |
Publication Date |
2017-08-24 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2041-6520 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
8.668 |
Times cited |
3 |
Open Access |
OpenAccess |
| Notes |
DIFFER is part of the Netherlands Organisation for Scientic Research (NWO). K. M. B. is funded as a PhD fellow (aspirant) of the FWO-Flanders (Fund for Scientic Research-Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government – department EWI. |
Approved |
Most recent IF: 8.668 |
| Call Number |
PLASMANT @ plasmant @c:irua:145519 |
Serial |
4707 |
| Permanent link to this record |
| |
|
| |
| Author |
Dutta, S.; Sankaran, K.; Moors, K.; Pourtois, G.; Van Elshocht, S.; Bommels, J.; Vandervorst, W.; Tokei, Z.; Adelmann, C. |
| Title |
Thickness dependence of the resistivity of platinum-group metal thin films |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
| Volume |
122 |
Issue |
2 |
Pages |
025107 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
We report on the thin film resistivity of several platinum-group metals (Ru, Pd, Ir, and Pt). Platinum-group thin films show comparable or lower resistivities than Cu for film thicknesses below about 5 nm due to a weaker thickness dependence of the resistivity. Based on experimentally determined mean linear distances between grain boundaries as well as ab initio calculations of the electron mean free path, the data for Ru, Ir, and Cu were modeled within the semiclassical Mayadas-Shatzkes model [Phys. Rev. B 1, 1382 (1970)] to assess the combined contributions of surface and grain boundary scattering to the resistivity. For Ru, the modeling results indicated that surface scattering was strongly dependent on the surrounding material with nearly specular scattering at interfaces with SiO2 or air but with diffuse scattering at interfaces with TaN. The dependence of the thin film resistivity on the mean free path is also discussed within the Mayadas-Shatzkes model in consideration of the experimental findings. Published by AIP Publishing. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000405663800038 |
Publication Date |
2017-07-11 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0021-8979; 1089-7550 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.068 |
Times cited |
42 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 2.068 |
| Call Number |
UA @ lucian @ c:irua:145213 |
Serial |
4729 |
| Permanent link to this record |
| |
|
| |
| Author |
Domingos, J.L.C.; Peeters, F.M.; Ferreira, W.P. |
| Title |
Self-assembly of rigid magnetic rods consisting of single dipolar beads in two dimensions |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Physical review E |
Abbreviated Journal |
Phys Rev E |
| Volume |
96 |
Issue |
1 |
Pages |
012603 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Molecular dynamics simulations are used to investigate the structural properties of a two-dimensional ensemble of magnetic rods, which are modeled as aligned single dipolar beads. The obtained self-assembled configurations can be characterized as (1) clusters, (2) percolated, and (3) ordered structures, and their structural properties are investigated in detail. By increasing the aspect ratio of the magnetic rods, we show that the percolation transition is suppressed due to the reduced mobility of the rods in two dimensions. Such a behavior is opposite to the one observed in three dimensions. A magnetic bulk phase is found with local ferromagnetic order and an unusual nonmonotonic behavior of the nematic order is observed. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000405713900014 |
Publication Date |
2017-07-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2470-0045;2470-0053; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.366 |
Times cited |
8 |
Open Access |
|
| Notes |
; This work was supported by the Brazilian agencies FUNCAP, CAPES, program Science without borders, and CNPq (Project No. 400748/2013-4), the joint CNPq-FWO bilateral project, and the Flemish Science Foundation (FWO-V1). ; |
Approved |
Most recent IF: 2.366 |
| Call Number |
UA @ lucian @ c:irua:145210 |
Serial |
4723 |
| Permanent link to this record |
| |
|
| |
| Author |
Van der Donck, M.; Zarenia, M.; Peeters, F.M. |
| Title |
Excitons and trions in monolayer transition metal dichalcogenides : a comparative study between the multiband model and the quadratic single-band model |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| Volume |
96 |
Issue |
3 |
Pages |
035131 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The electronic and structural properties of excitons and trions in monolayer transition metal dichalcogenides are investigated using both a multiband and a single- band model. In the multiband model we construct the excitonic Hamiltonian in the product base of the single-particle states at the conduction and valence band edges. We decouple the corresponding energy eigenvalue equation and solve the resulting differential equation self-consistently, using the finite element method (FEM), to determine the energy eigenvalues and the wave functions. As a comparison, we also consider the simple single-band model which is often used in numerical studies. We solve the energy eigenvalue equation using the FEM as well as with the stochastic variational method (SVM) in which a variational wave function is expanded in a basis of a large number of correlated Gaussians. We find good agreement between the results of both methods, as well as with other theoretical works for excitons, and we also compare with available experimental data. For trions the agreement between both methods is not as good due to our neglect of angular correlations when using the FEM. Finally, when comparing the two models, we see that the presence of the valence bands in the mutiband model leads to differences with the single- band model when (interband) interactions are strong. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
| Language |
|
Wos |
000405706600005 |
Publication Date |
2017-07-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
50 |
Open Access |
|
| Notes |
; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD. ; |
Approved |
Most recent IF: 3.836 |
| Call Number |
UA @ lucian @ c:irua:145209 |
Serial |
4716 |
| Permanent link to this record |
| |
|
| |
| Author |
Vets, C.; Neyts, E.C. |
| Title |
Stabilities of bimetallic nanoparticles for chirality-selective carbon nanotube growth and the effect of carbon interstitials |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| Volume |
121 |
Issue |
28 |
Pages |
15430-15436 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Bimetallic nanoparticles play a crucial role in various applications. A better understanding of their properties would facilitate these applications and possibly even enable chirality-specific growth of carbon nanotubes (CNTs). We here examine the stabilities of NiFe, NiGa, and FeGa nanoparticles and the effect of carbon dissolved in NiFe nanoparticles through density functional theory (DFT) calculations and Born Oppenheimer molecular dynamics (BOMD) simulations. We establish that nanoparticles with more Fe in the core and more Ga on the surface are more stable and compare these results with well-known properties such as surface energy and atom size. Furthermore, we find that the nanoparticles become more stable with increasing carbon content, both at 0 K and at 700 K. These results provide a basis for further research into the chirality-specific growth of CNT's. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000406355700050 |
Publication Date |
2017-06-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1932-7447; 1932-7455 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.536 |
Times cited |
2 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 4.536 |
| Call Number |
UA @ lucian @ c:irua:145206 |
Serial |
4725 |
| Permanent link to this record |
| |
|
| |
| Author |
Zhou, Y.; Ramaneti, R.; Anaya, J.; Korneychuk, S.; Derluyn, J.; Sun, H.; Pomeroy, J.; Verbeeck, J.; Haenen, K.; Kuball, M. |
| 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 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| 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. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000406779700008 |
Publication Date |
2017-07-24 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-6951; 1077-3118 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| 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 |
| Call Number |
UA @ lucian @ c:irua:145203 |
Serial |
4728 |
| Permanent link to this record |
