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Records |
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Author |
Wang, Y.-L.; Glatz, A.; Kimmel, G.J.; Aranson, I.S.; Thoutam, L.R.; Xiao, Z.-L.; Berdiyorov, G.R.; Peeters, F.M.; Crabtree, G.W.; Kwok, W.-K. |
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Title |
Parallel magnetic field suppresses dissipation in superconducting nanostrips |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
America |
Abbreviated Journal |
P Natl Acad Sci Usa |
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Volume |
114 |
Issue |
48 |
Pages |
E10274-E10280 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
<script type='text/javascript'>document.write(unpmarked('The motion of Abrikosov vortices in type-II superconductors results in a finite resistance in the presence of an applied electric current. Elimination or reduction of the resistance via immobilization of vortices is the \u0022holy grail\u0022 of superconductivity research. Common wisdom dictates that an increase in the magnetic field escalates the loss of energy since the number of vortices increases. Here we show that this is no longer true if the magnetic field and the current are applied parallel to each other. Our experimental studies on the resistive behavior of a superconducting Mo0.79Ge0.21 nanostrip reveal the emergence of a dissipative state with increasing magnetic field, followed by a pronounced resistance drop, signifying a reentrance to the superconducting state. Large-scale simulations of the 3D time-dependent Ginzburg-Landau model indicate that the intermediate resistive state is due to an unwinding of twisted vortices. When the magnetic field increases, this instability is suppressed due to a better accommodation of the vortex lattice to the pinning configuration. Our findings show that magnetic field and geometrical confinement can suppress the dissipation induced by vortex motion and thus radically improve the performance of superconducting materials.')); |
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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 |
000416891600007 |
Publication Date  |
2017-11-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0027-8424; 1091-6490 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.661 |
Times cited |
18 |
Open Access |
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Notes |
; This work was supported by the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division. The simulation was supported by the Scientific Discovery through Advanced Computing program funded by US DOE, Office of Science, Advanced Scientific Computing Research and Basic Energy Science, Division of Materials Science and Engineering. L.R.T. and Z.-L.X. acknowledge support through National Science Foundation Grant DMR-1407175. Use of the Center for Nanoscale Materials, an Office of Science user facility, was supported by the DOE, Office of Science, Office of Basic Energy Sciences, under Contract DE-AC02-06CH11357. ; |
Approved |
Most recent IF: 9.661 |
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Call Number |
UA @ lucian @ c:irua:147697 |
Serial |
4889 |
| Permanent link to this record |
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Author |
Mescia, L.; Chiapperino, M.A.; Bia, P.; Gielis, J.; Caratelli, D. |
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Title |
Modeling of electroporation induced by pulsed electric fields in irregularly shaped cells |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
IEEE transactions on biomedical engineering |
Abbreviated Journal |
|
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Volume |
65 |
Issue |
2 |
Pages |
414-423 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
During the past decades, the poration of cell membrane induced by pulsed electric fields has been widely investigated. Since the basic mechanisms of this process have not yet been fully clarified, many research activities are focused on the development of suitable theoretical and numerical models. To this end, a nonlinear, nonlocal, dispersive, and space-time numerical algorithm has been developed and adopted to evaluate the transmembrane voltage and pore density along the perimeter of realistic irregularly shaped cells. The presented model is based on the Maxwell's equations and the asymptotic Smoluchowski's equation describing the pore dynamics. The dielectric dispersion of the media forming the cell has been modeled by using a general multirelaxation Debye-based formulation. The irregular shape of the cell is described by using the Gielis' superformula. Different test cases pertaining to red blood cells, muscular cells, cell in mitosis phase, and cancer-like cell have been investigated. For each type of cell, the influence of the relevant shape, the dielectric properties, and the external electric pulse characteristics on the electroporation process has been analyzed. The numerical results demonstrate that the proposed model is an efficient numerical tool to study the electroporation problem in arbitrary-shaped cells. |
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Place of Publication |
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Wos |
000422914700018 |
Publication Date |
2017-11-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0018-9294 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:148417 |
Serial |
8264 |
| Permanent link to this record |
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Author |
Duflou, R.; Ciubotaru, F.; Vaysset, A.; Heyns, M.; Sorée, B.; Radu, I.P.; Adelmann, C. |
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Title |
Micromagnetic simulations of magnetoelastic spin wave excitation in scaled magnetic waveguides |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Applied physics letters |
Abbreviated Journal |
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Volume |
111 |
Issue |
19 |
Pages |
192411 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We study the excitation of spin waves in scaled magnetic waveguides using the magnetoelastic effect. In uniformly magnetized systems, normal strains parallel or perpendicular to the magnetization direction do not lead to spin wave excitation since the magnetoelastic torque is zero. Using micromagnetic simulations, we show that the nonuniformity of the magnetization in submicron waveguides due to the effect of the demagnetizing field leads to the excitation of spin waves for oscillating normal strains both parallel and perpendicular to the magnetization. The excitation by biaxial normal in-plane strain was found to be much more efficient than that by uniaxial normal out-of-plane strain. For narrow waveguides with a width of 200 nm, the excitation efficiency of biaxial normal in-plane strain was comparable to that of shear strain. Published by AIP Publishing. |
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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 |
000414975500027 |
Publication Date |
2017-11-10 |
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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 |
0003-6951; 1077-3118 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:152599 |
Serial |
8247 |
| Permanent link to this record |
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Author |
Trenchev, G.; Kolev, S.; Wang, W.; Ramakers, M.; Bogaerts, A. |
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Title |
CO2Conversion in a Gliding Arc Plasmatron: Multidimensional Modeling for Improved Efficiency |
Type |
A1 Journal article |
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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 |
44 |
Pages |
24470-24479 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The gliding arc plasmatron (GAP) is a highly efficient atmospheric plasma source, which is very promising for CO2 conversion applications. To understand its operation principles and to improve its application, we present here comprehensive modeling results, obtained by means of computational fluid dynamics simulations and plasma modeling. Because of the complexity of the CO2 plasma, a full 3D plasma model would be computationally impractical. Therefore, we combine a 3D turbulent gas flow model with a 2D plasma and gas heating model in order to calculate the plasma parameters and CO2 conversion characteristics. In addition, a complete 3D gas flow and plasma model with simplified argon chemistry is used to evaluate the gliding arc evolution in space and time. The calculated values are compared with experimental data from literature as much as possible in order to validate the model. The insights obtained in this study are very helpful for improving the application of CO2 conversion, as they allow us to identify the limiting factors in the performance, based on which solutions can be provided on how to further improve the capabilities of CO2 conversion in the GAP. |
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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 |
000415140400014 |
Publication Date |
2017-11-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
H2020 Marie Sklodowska-Curie Actions, 657304 ; Fonds Wetenschappelijk Onderzoek, 11U5316N G038316N ; |
Approved |
Most recent IF: 4.536 |
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Call Number |
PLASMANT @ plasmant @c:irua:147193 |
Serial |
4765 |
| Permanent link to this record |
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Author |
Pimenta, V.; Sathiya, M.; Batuk, D.; Abakumov, A.M.; Giaume, D.; Cassaignon, S.; Larcher, D.; Tarascon, J.-M. |
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Title |
Synthesis of Li-Rich NMC : a comprehensive study |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
29 |
Issue |
23 |
Pages |
9923-9936 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
<script type='text/javascript'>document.write(unpmarked('Li-rich NMC are considered nowadays as one of the most promising candidates for high energy density cathodes. One significant challenge is nested in adjusting their synthesis conditions to reach optimum electrochemical performance, but no consensus has been reached yet on the ideal synthesis protocol. Herein, we revisited the elaboration of Li-rich NMC electrodes by focusing on the science involved through each synthesis steps using carbonate Ni0.1625Mn0.675Co0.1625CO3 precursor coprecipitation combined with solid state synthesis. We demonstrated the effect of precursors concentration on the kinetics of the precipitation reaction and provided clues to obtain spherically agglomerated NMC carbonates of different sizes. Moreover, we highlighted the strong impact of the Li2CO3/NMC carbonate ratio on the morphology and particles size of Li-rich NMC and subsequently on their electrochemical performance. Ratio of 1.35 was found to reproducibly give the best performance with namely a first discharge capacity of 269 mAh g(-1) and capacity retention of 89.6% after 100 cycles. We hope that our results, which reveal how particle size, morphology, and phase composition affect the materials electrochemical performance, will help in reconciling literature data while providing valuable fundamental information for up scaling approaches.')); |
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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 |
000418206600010 |
Publication Date |
2017-11-08 |
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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 |
0897-4756 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.466 |
Times cited |
23 |
Open Access |
Not_Open_Access |
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Notes |
; The authors acknowledge the French Research Network on Electrochemical Energy Storage (RS2E). V.P and J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014)/ERC Grant-Project 670116-ARPEMA. The authors are thankful to Dr. G. Rousse for the help on Rietveld refinements. ; |
Approved |
Most recent IF: 9.466 |
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Call Number |
UA @ lucian @ c:irua:148530 |
Serial |
4899 |
| Permanent link to this record |
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Author |
Ramakers, M.; Medrano, J.A.; Trenchev, G.; Gallucci, F.; Bogaerts, A. |
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Title |
Revealing the arc dynamics in a gliding arc plasmatron: a better insight to improve CO2conversion |
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 |
12 |
Pages |
125002 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
A gliding arc plasmatron (GAP) is very promising for CO2 conversion into value-added chemicals, but to further improve this important application, a better understanding of the arc behavior is indispensable. Therefore, we study here for the first time the dynamic arc behavior of the GAP by means of a high-speed camera, for different reactor configurations and in a wide range of operating conditions. This allows us to provide a complete image of the behavior of the gliding arc. More specifically, the arc body shape, diameter, movement and rotation speed are analyzed and discussed. Clearly, the arc movement and shape relies on a number of factors, such as gas turbulence, outlet diameter, electrode surface, gas contraction and buoyance force. Furthermore, we also compare the experimentally measured arc movement to a state-of-the-art 3D-plasma model, which predicts the plasma movement and rotation speed with very good accuracy, to gain further insight in the underlying mechanisms. Finally, we correlate the arc dynamics with the CO2 conversion and energy efficiency, at exactly the same conditions, to explain the effect of these parameters on the CO2 conversion process. This work is important for understanding and optimizing the GAP for CO2 conversion. |
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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 |
000414675000001 |
Publication Date |
2017-11-07 |
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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 |
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 |
7 |
Open Access |
OpenAccess |
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Notes |
This work was supported by the Belgian Federal Office for Science Policy (BELSPO) and the Fund for Scientific Research Flanders (FWO; grant numbers G.0383.16N and 11U5316N). |
Approved |
Most recent IF: 3.302 |
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Call Number |
PLASMANT @ plasmant @c:irua:147023 |
Serial |
4761 |
| Permanent link to this record |
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Author |
Augustyns, V.; van Stiphout, K.; Joly, V.; Lima, T.A.L.; Lippertz, G.; Trekels, M.; Menendez, E.; Kremer, F.; Wahl, U.; Costa, A.R.G.; Correia, J.G.; Banerjee, D.; Gunnlaugsson, H.P.; von Bardeleben, J.; Vickridge, I.; Van Bael, M.J.; Hadermann, J.; Araujo, J.P.; Temst, K.; Vantomme, A.; Pereira, L.M.C. |
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Title |
Evidence of tetragonal distortion as the origin of the ferromagnetic ground state in gamma-Fe nanoparticles |
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 |
17 |
Pages |
174410 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
<script type='text/javascript'>document.write(unpmarked('gamma-Fe and related alloys are model systems of the coupling between structure and magnetism in solids. Since different electronic states (with different volumes and magnetic ordering states) are closely spaced in energy, small perturbations can alter which one is the actual ground state. Here, we demonstrate that the ferromagnetic state of gamma-Fe nanoparticles is associated with a tetragonal distortion of the fcc structure. Combining a wide range of complementary experimental techniques, including low-temperature Mossbauer spectroscopy, advanced transmission electron microscopy, and synchrotron radiation techniques, we unambiguously identify the tetragonally distorted ferromagnetic ground state, with lattice parameters a = 3.76(2) angstrom and c = 3.50(2) angstrom, and a magnetic moment of 2.45(5) mu(B) per Fe atom. Our findings indicate that the ferromagnetic order in nanostructured gamma-Fe is generally associated with a tetragonal distortion. This observation motivates a theoretical reassessment of the electronic structure of gamma-Fe taking tetragonal distortion into account.')); |
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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 |
000414525200005 |
Publication Date |
2017-11-07 |
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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 |
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 |
1 |
Open Access |
OpenAccess |
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Notes |
; The authors thank the Fund for Scientific Research-Flanders, the Concerted Research Action of the KU Leuven (GOA/14/007), the KU Leuven BOF (STRT/14/002), the Hercules Foundation, the Portuguese Foundation for Science and Technology (CERN/FIS-NUC/0004/2015), and the European Union Seventh Framework through ENSAR2 (European Nuclear Science and Applications Research, Project No. 654002), and SPIRIT (Support of Public and Industrial Research Using Ion Beam Technology, Contract No. 227012). We acknowledge the European Synchrotron Radiation Facility (ESRF) for providing beam time (experiments 26-01-1018, 26-01-1057, 20-02-728, HC-1850, HC-2208), as well as C. Baehtz, N. Boudet, and N. Blancand for support during the experiments. We acknowledge the ISOLDE-CERN facility for providing beam time (experiment IS580) and technical assistance. The authors (L.M.C.P., F.K.) acknowledge the facilities and the scientific and technical assistance of the Australian Microscopy & Microanalysis Research Facility at the Centre for Advanced Microscopy, Australian National University. We also acknowledge the contribution of Prof. Mark Ridgway (Australian National University), who passed away before the work was completed. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:147387 |
Serial |
4873 |
| Permanent link to this record |
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Author |
Al Masud, M.M.; Moni, N.N.; Azadi, H.; Van Passel, S. |
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Title |
Sustainability impacts of tidal river management : towards a conceptual framework |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Ecological Indicators |
Abbreviated Journal |
Ecol Indic |
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Volume |
85 |
Issue |
85 |
Pages |
451-467 |
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Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
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Abstract |
The Southwest Coastal people of Bangladesh have introduced Tidal River Management (TRM) as an environmentally acceptable water resource management practice based on their indigenous knowledge of water logging of low lying coastal land. TRM helps to address problems resulting from different anthropogenic and structural development activities, and it has been successful in helping coastal communities to adapt to climate change and rising sea level vulnerability by forming new land in Tidal Basins. Hence, it is essential to measure sustainability impacts of TRM from the environmental, socio-economic and institutional perspectives. Therefore, firstly, the study identifies sustainability indicators of TRM considering ecosystem services and secondly, develops an inclusive conceptual framework to understand the important impacts of each indicator at various spatial and temporal scales. The conceptual framework is followed by the construction of a Sustainability Index of Tidal River Management (SITRM). It has advantages over the Ramsar Convention framework (2007) and the World Meteorological Organization (WMO) framework (2012) to measure water sustainability as it includes a sustainable model to project future vulnerability of the community, river and Tidal Basin, emphasizing on climate change issues. It also involves trade-offs analysis, livelihood analysis and SWOT (Strengths, Weaknesses, Opportunities and Threats) analysis for a complete impact assessment to enable decision-makers to focus on those services most likely to be of risks and weaknesses or opportunities and strengths for the sustainability of TRM. Moreover, the framework is a useful guide for policymakers in identifying the sustainability impacts of TRM so that they can choose best coping strategies for coastal people to effectively deal with adverse effects of water-logging and undesired climatic events as well as environmental and socio-economic changes in coastal areas. |
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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 |
000430634500046 |
Publication Date |
2017-11-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1470-160x |
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 |
3.898 |
Times cited |
7 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.898 |
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Call Number |
UA @ admin @ c:irua:149039 |
Serial |
6254 |
| Permanent link to this record |
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Author |
Mahr, C.; Müller-Caspary, K.; Graf, M.; Lackmann, A.; Grieb, T.; Schowalter, M.; Krause, F.F.; Mehrtens, T.; Wittstock, A.; Weissmueller, J.; Rosenauer, A. |
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Title |
Measurement of local crystal lattice strain variations in dealloyed nanoporous gold |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Materials research letters |
Abbreviated Journal |
Mater Res Lett |
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Volume |
6 |
Issue |
1 |
Pages |
84-92 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Reversible macroscopic length changes in nanoporous structures can be achieved by applying electric potentials or by exposing them to different gases or liquids. Thus, these materials are interesting candidates for applications as sensors or actuators. Macroscopic length changes originate from microscopic changes of crystal lattice parameters. In this report, we show spatially resolved measurements of crystal lattice strain in dealloyed nanoporous gold. The results confirm theory by indicating a compression of the lattice along the axis of cylindrically shaped ligaments and an expansion in radial direction. Furthermore, we show that curved npAu surfaces show inward relaxation of the surface layer. [GRAPHICS] . |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Taylor & Francis |
Place of Publication |
Abingdon |
Editor |
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Language |
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Wos |
000428141500013 |
Publication Date |
2017-11-03 |
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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 |
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Series Issue |
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Edition |
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ISSN |
2166-3831 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.773 |
Times cited |
4 |
Open Access |
Not_Open_Access |
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Notes |
; This work has been supported by the Deutsche Forschungsgemeinschaft (DFG) under contracts no. RO2057/12-1 (SP 6), WI4497/1-1 (SP 2) and WE1424/17-1 (SP 3) within the research unit FOR2213 (www.nagocat.de). K.M.-C acknowledges support by the DFG under contract no. MU3660/1-1 and T.G. under contract no. RO2057/ 11-1. ; |
Approved |
Most recent IF: 4.773 |
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Call Number |
UA @ lucian @ c:irua:150921 |
Serial |
4973 |
| Permanent link to this record |
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Author |
Chirumamilla, C.S.; Palagani, A.; Kamaraj, B.; Declerck, K.; Verbeek, M.W.C.; Ryabtsova, O.; De Bosscher, K.; Bougarne, N.; Ruttens, B.; Gevaert, K.; Houtman, R.; De Vos, W.H.; Joossens, J.; van der Veken, P.; Augustyns, K.; van Ostade, X.; Bogaerts, A.; De Winter, H.; Vanden Berghe, W. |
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Title |
Selective glucocorticoid receptor properties of GSK866 analogs with cysteine reactive warheads |
Type |
Administrative Services |
| |
Year |
2017 |
Publication |
Frontiers in immunology |
Abbreviated Journal |
Front Immunol |
| |
Volume |
8 |
Issue |
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Pages |
1324 |
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Keywords |
Administrative Services; A1 Journal article; Pharmacology. Therapy; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Medicinal Chemistry (UAMC) |
| |
Abstract |
Synthetic glucocorticoids (GC) are the mainstay therapy for treatment of acute and chronic inflammatory disorders. Due to the high adverse effects associated with long-term use, GC pharmacology has focused since the nineties on more selective GC ligand-binding strategies, classified as selective glucocorticoid receptor (GR) agonists (SEGRAs) or selective glucocorticoid receptor modulators (SEGRMs). In the current study, GSK866 analogs with electrophilic covalent-binding warheads were developed with potential SEGRA properties to improve their clinical safety profile for long-lasting topical skin disease applications. Since the off-rate of a covalently binding drug is negligible compared to that of a non-covalent drug, its therapeutic effects can be prolonged and typically, smaller doses of the drug are necessary to reach the same level of therapeutic efficacy, thereby potentially reducing systemic side effects. Different analogs of SEGRA GSK866 coupled to cysteine reactive warheads were characterized for GR potency and selectivity in various biochemical and cellular assays. GR- and NFκB-dependent reporter gene studies show favorable anti-inflammatory properties with reduced GR transactivation of two non-steroidal GSK866 analogs UAMC-1217 and UAMC-1218, whereas UAMC-1158 and UAMC-1159 compounds failed to modulate cellular GR activity. These results were further supported by GR immuno-localization and S211 phospho-GR western analysis, illustrating significant GR phosphoactivation and nuclear translocation upon treatment of GSK866, UAMC-1217, or UAMC-1218, but not in case of UAMC-1158 or UAMC-1159. Furthermore, mass spectrometry analysis of tryptic peptides of recombinant GR ligand-binding domain (LBD) bound to UAMC-1217 or UAMC-1218 confirmed covalent cysteine-dependent GR binding. Finally, molecular dynamics simulations, as well as glucocorticoid receptor ligand-binding domain (GR-LBD) coregulator interaction profiling of the GR-LBD bound to GSK866 or its covalently binding analogs UAMC-1217 or UAMC-1218 revealed subtle conformational differences that might underlie their SEGRA properties. Altogether, GSK866 analogs UAMC-1217 and UAMC-1218 hold promise as a novel class of covalent-binding SEGRA ligands for the treatment of topical inflammatory skin disorders. |
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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 |
Place of publication unknown |
Editor |
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| |
Language |
|
Wos |
000414136300001 |
Publication Date |
2017-11-01 |
| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1664-3224 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.429 |
Times cited |
2 |
Open Access |
OpenAccess |
| |
Notes |
|
Approved |
Most recent IF: 6.429 |
| |
Call Number |
UA @ lucian @ c:irua:146485 |
Serial |
4750 |
| Permanent link to this record |
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| |
|
Author |
Udayabhaskararao, T.; Altantzis, T.; Houben, L.; Coronado-Puchau, M.; Langer, J.; Popovitz-Biro, R.; Liz-Marzán, L.M.; Vuković, L.; Král, P.; Bals, S.; Klajn, R. |
| |
Title |
Tunable porous nanoallotropes prepared by post-assembly etching of binary nanoparticle superlattices |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Science |
Abbreviated Journal |
Science |
| |
Volume |
358 |
Issue |
358 |
Pages |
514-518 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Self-assembly of inorganic nanoparticles has been used to prepare hundreds of different colloidal crystals, but almost invariably with the restriction that the particles must be densely packed. Here,we show that non–close-packed nanoparticle arrays can be fabricated through the selective removal of one of two components comprising binary nanoparticle superlattices. First, a variety of binary nanoparticle superlattices were prepared at the liquid-air interface, including several arrangements that were previously unknown. Molecular dynamics simulations revealed the particular role of the liquid in templating the formation of superlattices not achievable through self-assembly in bulk solution. Second, upon stabilization, all of these binary superlattices could be transformed into distinct “nanoallotropes”—nanoporous materials having the same chemical composition but differing in their nanoscale architectures. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000413757500043 |
Publication Date |
2017-10-27 |
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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 |
|
| |
ISSN |
0036-8075 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
37.205 |
Times cited |
113 |
Open Access |
OpenAccess |
| |
Notes |
This work was supported by the European Research Council (grants 336080 CONFINEDCHEM to R.K. and 335078 COLOURATOM to S.B.), the Rothschild Caesarea Foundation (R.K.), the NSF (Division of Materials Research, grant 1506886) (P.K.), the European Commission (grant EUSMI 731019 to L.M.L.-M. and S.B.), and the startup funding from the University of Texas at El Paso (L.V.). L.M.L.-M. acknowledges funding from the Spanish Ministerio de Economía y Competitividad (grant MAT2013- 46101-R). T.A. acknowledges funding from the Research Foundation Flanders (FWO, Belgium) through a postdoctoral grant. The computer support was provided by the Texas Advanced Computing Center. All data are reported in the main text and supplementary materials. ECAS_Sara (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); |
Approved |
Most recent IF: 37.205 |
| |
Call Number |
EMAT @ emat @c:irua:147242UA @ admin @ c:irua:147242 |
Serial |
4770 |
| Permanent link to this record |
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Author |
Moldovan, D.; Masir, M.R.; Peeters, F.M. |
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Title |
Magnetic field dependence of the atomic collapse state in graphene |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
| |
Volume |
5 |
Issue |
1 |
Pages |
015017 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
<script type='text/javascript'>document.write(unpmarked('Quantum electrodynamics predicts that heavy atoms (Z \u003E Z(c) approximate to 170) will undergo the process of atomic collapse where electrons sink into the positron continuum and a new family of so-called collapsing states emerges. The relativistic electrons in graphene exhibit the same physics but at a much lower critical charge (Z(c) approximate to 1) which has made it possible to confirm this phenomenon experimentally. However, there exist conflicting predictions on the effect of a magnetic field on atomic collapse. These theoretical predictions are based on the continuum Dirac-Weyl equation, which does not have an exact analytical solution for the interplay of a supercritical Coulomb potential and the magnetic field. Approximative solutions have been proposed, but because the two effects compete on similar energy scales, the theoretical treatment varies depending on the regime which is being considered. These limitations are overcome here by starting from a tight-binding approach and computing exact numerical results. By avoiding special limit cases, we found a smooth evolution between the different regimes. We predict that the atomic collapse effect persists even after the magnetic field is activated and that the critical charge remains unchanged. We show that the atomic collapse regime is characterized: (1) by a series of Landau level anticrossings and (2) by the absence of root B scaling of the Landau levels with regard to magnetic field strength.')); |
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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 |
000415015000001 |
Publication Date |
2017-10-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
|
| |
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 |
|
| |
Notes |
; We thank Eva Andrei, Jinhai Mao and Yuhang Jiang for insightful discussions. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Funding of the Flemish Government. ; |
Approved |
Most recent IF: 6.937 |
| |
Call Number |
UA @ lucian @ c:irua:147361UA @ admin @ c:irua:147361 |
Serial |
4884 |
| Permanent link to this record |
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Author |
Bekaert, J.; Bignardi, L.; Aperis, A.; van Abswoude, P.; Mattevi, C.; Gorovikov, S.; Petaccia, L.; Goldoni, A.; Partoens, B.; Oppeneer, P.M.; Peeters, F.M.; Milošević, M.V.; Rudolf, P.; Cepek, C. |
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Title |
Free surfaces recast superconductivity in few-monolayer MgB2 : combined first-principles and ARPES demonstration |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
| |
Volume |
7 |
Issue |
|
Pages |
14458 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| |
Abstract |
<script type='text/javascript'>document.write(unpmarked('Two-dimensional materials are known to harbour properties very different from those of their bulk counterparts. Recent years have seen the rise of atomically thin superconductors, with a caveat that superconductivity is strongly depleted unless enhanced by specific substrates, intercalants or adatoms. Surprisingly, the role in superconductivity of electronic states originating from simple free surfaces of two-dimensional materials has remained elusive to date. Here, based on first-principles calculations, anisotropic Eliashberg theory, and angle-resolved photoemission spectroscopy (ARPES), we show that surface states in few-monolayer MgB2 make a major contribution to the superconducting gap spectrum and density of states, clearly distinct from the widely known, bulk-like sigma-and pi-gaps. As a proof of principle, we predict and measure the gap opening on the magnesium-based surface band up to a critical temperature as high as similar to 30 K for merely six monolayers thick MgB2. These findings establish free surfaces as an unavoidable ingredient in understanding and further tailoring of superconductivity in atomically thin materials.')); |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Nature Publishing Group |
Place of Publication |
London |
Editor |
|
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Language |
|
Wos |
000414231000059 |
Publication Date |
2017-10-25 |
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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 |
|
| |
ISSN |
2045-2322 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.259 |
Times cited |
27 |
Open Access |
|
| |
Notes |
; This work was supported by TOPBOF-UAntwerp, Research Foundation Flanders (FWO), the Foundation for Fundamental Research on Matter (FOM)-part of the Netherlands Organisation for Scientific Research, the Swedish Research Council (VR) and the Rontgen-Angstrom Cluster. P.v.A. acknowledges an Ubbo Emmius fellowship for his PhD studies. The computational resources and services used for the first-principles calculations in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation Flanders (FWO) and the Flemish Government – department EWI. Eliashberg theory calculations were supported through the Swedish National Infrastructure for Computing (SNIC). We thank D. Lonza for technical assistance in the experimental part. ; |
Approved |
Most recent IF: 4.259 |
| |
Call Number |
UA @ lucian @ c:irua:147426 |
Serial |
4875 |
| Permanent link to this record |
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Author |
Morozov, V.A.; Batuk, D.; Batuk, M.; Basovich, O.M.; Khaikina, E.G.; Deyneko, D.V.; Lazoryak, B.I.; Leonidov, I.I.; Abakumov, A.M.; Hadermann, J. |
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Title |
Luminescence Property Upgrading via the Structure and Cation Changing in AgxEu(2–x)/3WO4and AgxGd(2–x)/3–0.3Eu0.3WO4 |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
29 |
Issue |
20 |
Pages |
8811-8823 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
The creation and ordering of A-cation vacancies and the effect of cation substitutions in the scheelite-type framework are investigated as a factor for controlling the scheelite-type structure and luminescence properties. AgxEu3+(2−x)/3□(1−2x)/3WO4 and AgxGd(2−x)/3−0.3Eu3+0.3□(1−2x)/3WO4 (x = 0.5−0) scheelite-type phases were synthesized by a solid state method, and their structures were investigated using a combination of transmission electron microscopy techniques and powder synchrotron X-ray diffraction. Transmission electron microscopy also revealed the (3 + 1)D incommensurately modulated character of AgxEu3+(2−x)/3□(1−2x)/3WO4 (x = 0.286, 0.2) phases. The crystal structures of the scheelite-based AgxEu3+(2−x)/3□(1−2x)/3WO4 (x = 0.5, 0.286, 0.2) red phosphors have been refined from high resolution synchrotron powder X-ray diffraction data. The luminescence properties of all phases under near-ultraviolet (n-UV) light have been investigated. The excitation spectra of AgxEu3+(2−x)/3□(1−2x)/3WO4 (x = 0.5, 0.286,0.2) phosphors show the strongest absorption at 395 nm, which matches well with the commercially available n-UV-emitting GaN-based LED chip. The excitation spectra of the Eu2/3□1/3WO4 and Gd0.367Eu0.30□1/3WO4 phases exhibit the highest contribution of the charge transfer band at 250 nm and thus the most efficient energy transfer mechanism between the host and the luminescent ion as compared to direct excitation. The emission spectra of all samples indicate an intense red emission due to the 5D0 → 7F2 transition of Eu3+. Concentration dependence of the 5D0 → 7F2 emission for AgxEu(2−x)/3□(1−2x)/3WO4 samples differs from the same dependence for the earlier studied NaxEu3+(2−x)/3□(1−2x)/3MoO4 (0 ≤ x ≤ 0.5) phases. The intensity of the 5D0 → 7F2 emission is reduced almost 7 times with decreasing x from 0.5 to 0, but it practically does not change in the range from x = 0.286 to x = 0.200. The emission spectra of Gd-containing samples show a completely different trend as compared to only Eu-containing samples. The Eu3+ emission under excitation of Eu3+(5L6) level (λex = 395 nm) increases more than 2.5 times with the increasing Gd3+ concentration from 0.2 (x = 0.5) to 0.3 (x = 0.2) in the AgxGd(2−x)/3−0.3Eu3+0.3□(1−2x)/3WO4, after which it remains almost constant for higher Gd3+ concentrations. |
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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 |
000413884900028 |
Publication Date |
2017-10-24 |
| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0897-4756 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
9.466 |
Times cited |
7 |
Open Access |
Not_Open_Access |
| |
Notes |
This research was supported by FWO (project G039211N), Flanders Research Foundation. V.A.M. is grateful for financial support of the Russian Foundation for Basic Research (Grant 15-03-07741). E.G.K. and O.M.B. are grateful for financial support of the Russian Foundation for Basic Research (Grants 13-03-01020 and 16-03-00510). D.V.D. is grateful for financial support of the Russian Foundation for Basic Research (Grant 16-33-00197) and the Foundation of the President of the Russian Federation (Grant MK-7926.2016.5.). We are grateful to the ESRF for granting the beamtime. Experimental support of Andy Fitch at the ID31 beamline of ESRF is kindly acknowledged. |
Approved |
Most recent IF: 9.466 |
| |
Call Number |
EMAT @ emat @c:irua:147241 |
Serial |
4768 |
| Permanent link to this record |
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|
Author |
Sanchez-Barriga, J.; Ogorodnikov, I.I.; Kuznetsov, M.V.; Volykhov, A.A.; Matsui, F.; Callaert, C.; Hadermann, J.; Verbitskiy, N.I.; Koch, R.J.; Varykhalov, A.; Rader, O.; Yashina, L.V. |
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Title |
Observation of hidden atomic order at the interface between Fe and topological insulator Bi2Te3 |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| |
Volume |
19 |
Issue |
45 |
Pages |
30520-30532 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
<script type='text/javascript'>document.write(unpmarked('To realize spintronic devices based on topological insulators (TIs), well-defined interfaces between magnetic metals and TIs are required. Here, we characterize atomically precisely the interface between the 3d transition metal Fe and the TI Bi2Te3 at different stages of its formation. Using photoelectron diffraction and holography, we show that after deposition of up to 3 monolayers Fe on Bi2Te3 at room temperature, the Fe atoms are ordered at the interface despite the surface disorder revealed by our scanning-tunneling microscopy images. We find that Fe occupies two different sites: a hollow adatom deeply relaxed into the Bi2Te3 quintuple layers and an interstitial atom between the third (Te) and fourth (Bi) atomic layers. For both sites, our core-level photoemission spectra and density-functional theory calculations demonstrate simultaneous chemical bonding of Fe to both Te and Bi atoms. We further show that upon deposition of Fe up to a thickness of 20 nm, the Fe atoms penetrate deeper into the bulk forming a 2-5 nm interface layer containing FeTe. In addition, excessive Bi is pushed down into the bulk of Bi2Te3 leading to the formation of septuple layers of Bi3Te4 within a distance of similar to 25 nm from the interface. Controlling the magnetic properties of the complex interface structures revealed by our work will be of critical importance when optimizing the efficiency of spin injection in TI-based devices.')); |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
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Language |
|
Wos |
000416054400023 |
Publication Date |
2017-10-24 |
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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 |
|
Edition |
|
| |
ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.123 |
Times cited |
4 |
Open Access |
OpenAccess |
| |
Notes |
; The authors acknowledge financial support within the bilateral program “Russian-German Laboratory at BESSY II” and thank Helmholtz Zentrum Berlin for granting access to the beamlines RGBL, UE112-PGM2a and U49-PGM1. The Supercomputing Center of Lomonosov Moscow State University is gratefully acknowledged for granting access to the “Lomonosov” supercomputer. The work was partially supported by DFG priority program SPP 1666, Impuls- und Vernetzungsfonds der Helmholtz-Gemeinschaft (Grant No. HRJRG-408) and Russian Foundation for Basic Research (Grants No. 13-02-91327 and No. 16-29-06410). C. C. acknowledges support from the University of Antwerp through the BOF grant 31445. The authors thank Dr Vera Neudachina, Daria Tsukanova, Dr Elmar Kataev and Dr Maria Batuk for their support during the XPS and TEM experiments. ; |
Approved |
Most recent IF: 4.123 |
| |
Call Number |
UA @ lucian @ c:irua:147659 |
Serial |
4888 |
| Permanent link to this record |
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|
Author |
Klinkhammer, C.; Verlackt, C.; Smilowicz, D.; Kogelheide, F.; Bogaerts, A.; Metzler-Nolte, N.; Stapelmann, K.; Havenith, M.; Lackmann, J.-W. |
| |
Title |
Elucidation of plasma-induced chemical modifications on glutathione and glutathione disulphide |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
| |
Volume |
7 |
Issue |
|
Pages |
13828 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
Cold atmospheric pressure plasmas are gaining increased interest in the medical sector and clinical trials to treat skin diseases are underway. Plasmas are capable of producing several reactive oxygen and nitrogen species (RONS). However, there are open questions how plasma-generated RONS interact on a molecular level in a biological environment, e.g. cells or cell components. The redox pair glutathione (GSH) and glutathione disulphide (GSSG) forms the most important redox buffer in organisms responsible for detoxification of intracellular reactive species. We apply Raman spectroscopy, mass spectrometry, and molecular dynamics simulations to identify the time-dependent chemical modifications on GSH and GSSG that are caused by dielectric barrier discharge under ambient conditions. We find GSSG, S-oxidised glutathione species, and S-nitrosoglutathione as oxidation products with the latter two being the final products, while glutathione sulphenic acid, glutathione sulphinic acid, and GSSG are rather reaction intermediates. Experiments using stabilized pH conditions revealed the same main oxidation products as were found in unbuffered solution, indicating that the dominant oxidative or nitrosative reactions are not influenced by acidic pH. For more complex systems these results indicate that too long treatment times can cause difficult-to-handle modifications to the cellular redox buffer which can impair proper cellular function. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
Nature Publishing Group |
Place of Publication |
London |
Editor |
|
| |
Language |
|
Wos |
000413401300003 |
Publication Date |
2017-10-17 |
| |
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 |
17 |
Open Access |
OpenAccess |
| |
Notes |
|
Approved |
Most recent IF: 4.259 |
| |
Call Number |
UA @ lucian @ c:irua:146666 |
Serial |
4783 |
| Permanent link to this record |
| |
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| |
|
Author |
Pourtois, G.; Dabral, A.; Sankaran, K.; Magnus, W.; Yu, H.; de de Meux, A.J.; Lu, A.K.A.; Clima, S.; Stokbro, K.; Schaekers, M.; Houssa, M.; Collaert, N.; Horiguchi, N. |
| |
Title |
Probing the intrinsic limitations of the contact resistance of metal/semiconductor interfaces through atomistic simulations |
Type |
P1 Proceeding |
| |
Year |
2017 |
Publication |
Semiconductors, Dielectrics, And Metals For Nanoelectronics 15: In Memory Of Samares Kar |
Abbreviated Journal |
|
| |
Volume |
|
Issue |
|
Pages |
303-311 |
| |
Keywords |
P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
In this contribution, we report a fundamental study of the factors that set the contact resistivity between metals and highly doped semiconductors. We investigate the case of n-type doped Si contacted with amorphous TiSi combining first-principles calculations with Non-Equilibrium Green functions transport simulations. The intrinsic contact resistivity is found to saturate at similar to 2x10(-10) Omega.cm(2) with the doping concentration and sets an intrinsic limit to the ultimate contact resistance achievable for n-doped Si vertical bar amorphous-TiSi. This limit arises from the intrinsic properties of the semiconductor and of the metal such as their electron effective masses and Fermi energies. We illustrate that, in this regime, contacting metals with a heavy electron effective mass helps reducing the interface intrinsic contact resistivity. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
Electrochemical soc inc |
Place of Publication |
Pennington |
Editor |
|
| |
Language |
|
Wos |
000426271800028 |
Publication Date |
2017-10-17 |
| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
|
| |
Series Volume |
80 |
Series Issue |
1 |
Edition |
|
| |
ISSN |
978-1-62332-470-4; 978-1-60768-818-1 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
|
Times cited |
1 |
Open Access |
Not_Open_Access |
| |
Notes |
; ; |
Approved |
Most recent IF: NA |
| |
Call Number |
UA @ lucian @ c:irua:149966 |
Serial |
4976 |
| Permanent link to this record |
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| |
|
Author |
Dendooven, J.; Ramachandran, R.K.; Solano, E.; Kurttepeli, M.; Geerts, L.; Heremans, G.; Ronge, J.; Minjauw, M.M.; Dobbelaere, T.; Devloo-Casier, K.; Martens, J.A.; Vantomme, A.; Bals, S.; Portale, G.; Coati, A.; Detavernier, C. |
| |
Title |
Independent tuning of size and coverage of supported Pt nanoparticles using atomic layer deposition |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
| |
Volume |
8 |
Issue |
8 |
Pages |
1074 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Synthetic methods that allow for the controlled design of well-defined Pt nanoparticles are highly desirable for fundamental catalysis research. In this work, we propose a strategy that allows precise and independent control of the Pt particle size and coverage. Our approach exploits the versatility of the atomic layer deposition (ALD) technique by combining two ALD processes for Pt using different reactants. The particle areal density is controlled by tailoring the number of ALD cycles using trimethyl(methylcyclopentadienyl) platinum and oxygen, while subsequent growth using the same Pt precursor in combination with nitrogen plasma allows for tuning of the particle size at the atomic level. The excellent control over the particle morphology is clearly demonstrated by means of in situ and ex situ X-ray fluorescence and grazing incidence small angle X-ray scattering experiments, providing information about the Pt loading, average particle dimensions, and mean center-to-center particle distance. |
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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 |
000413353500023 |
Publication Date |
2017-10-16 |
| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2041-1723 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
12.124 |
Times cited |
88 |
Open Access |
OpenAccess |
| |
Notes |
; This research was funded by the Research Foundation-Flanders (FWO), the Special Research Fund BOF of Ghent University (GOA 01G01513) and the Flemish Government (Medium-scale research infrastructure funding-Hercules funding). J. D., T. D. and M. M. M. acknowledge the FWO for a research fellowship. S. B. acknowledges the European Research Council, ERC grant no. 335078-Colouratom. For the GISAXS and XRF measurements at SOLEIL, the authors received funding from the European Community's Trans National Access Program CALIPSO. We are also grateful to the SOLEIL and ESRF staff for smoothly running the facilities. The authors thank G. Verellen for his help with drawing the 3D sketches. ; ecas_Sara |
Approved |
Most recent IF: 12.124 |
| |
Call Number |
UA @ lucian @ c:irua:146668UA @ admin @ c:irua:146668 |
Serial |
4786 |
| Permanent link to this record |
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| |
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Author |
Grieb, T.; Tewes, M.; Schowalter, M.; Müller-Caspary, K.; Krause, F.F.; Mehrtens, T.; Hartmann, J.-M.; Rosenauer, A. |
| |
Title |
Quantitative HAADF STEM of SiGe in presence of amorphous surface layers from FIB preparation |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
| |
Volume |
184 |
Issue |
B |
Pages |
29-36 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
<script type='text/javascript'>document.write(unpmarked('The chemical composition of four Si1-xGex layers grown on silicon was determined from quantitative scanning transmission electron microscopy (STEM). The chemical analysis was performed by a comparison of the high-angle annular dark field (HAADF) intensity with multislice simulations. It could be shown that amorphous surface layers originating from the preparation process by focused-ion beam (FIB) at 30 kV have a strong influence on the quantification: the local specimen thickness is overestimated by approximately a factor of two, and the germanium concentration is substantially underestimated. By means of simulations, the effect of amorphous surface layers on the HAADF intensity of crystalline silicon and germanium is investigated. Based on these simulations, a method is developed to analyze the experimental HAADF-STEM images by taking the influence of the amorphous layers into account which is done by a reduction of the intensities by multiplication with a constant factor. This suggested modified HAADF analysis gives germanium concentrations which are in agreement with the nominal values. The same TEM lamella was treated with low-voltage ion milling which removed the amorphous surface layers completely. The results from subsequent quantitative HAADF analyses are in agreement with the nominal concentrations which validates the applicability of the used frozen-lattice based multislice simulations to describe the HAADF scattering of Si1-xGex in STEM. (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 |
|
Place of Publication |
Amsterdam |
Editor |
|
| |
Language |
|
Wos |
000417779800004 |
Publication Date |
2017-10-14 |
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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 |
0304-3991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
2.843 |
Times cited |
7 |
Open Access |
Not_Open_Access |
| |
Notes |
; This work was supported by the German Research Foundation (DFG) under Contract No. RO2057/11-1. ; |
Approved |
Most recent IF: 2.843 |
| |
Call Number |
UA @ lucian @ c:irua:148500 |
Serial |
4893 |
| Permanent link to this record |
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| |
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Author |
Moretti, M.; Van Dael, M.; Malina, R.; Van Passel, S. |
| |
Title |
Environmental assessment of waste feedstock mono-dimensional and bio-refinery systems : combining manure co-digestion and municipal waste anaerobic digestion |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Journal Of Cleaner Production |
Abbreviated Journal |
J Clean Prod |
| |
Volume |
171 |
Issue |
171 |
Pages |
954-961 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
| |
Abstract |
Organic municipal solid waste (OMSW) as a feedstock for energy recovery and material recycling offers the potential to reduce environmental impacts from energy production while displacing emission intensive waste management strategies such as landfills. This paper quantifies the environmental impact of anaerobic digestion of local, residual biomass. A life-cycle assessment was jointly performed for two scenarios for the biological treatment of local organic municipal solid waste and pig manure in the Netherlands. Scenario 1 was a separate treatment using anaerobic digestion, and Scenario 2 was a bio-refinery system that integrates anaerobic digestion of organic, municipal solid waste, and co digestion of pig manure and other organic co-substrates \. For both scenarios, electricity and heat are generated using a combined heat and power engine. The bio-refinery system (Scenario 2) contribution to climate change resulted in 0.16 Mt CO2 eq./yr, which is lower than the 0.17 Mt CO2 eq./yr of Scenario 1. Both scenarios are found to be beneficial with regard to resource depletion and human toxicity. The integration of organic waste and manure anaerobic digestion has no effect on acidification and terrestrial eutrophication impact categories, resulting in 43.59 AE eq. and 86.33 AE eq. for Scenario 1 and 43.58 AE eq. and 86.30 AE eq. for Scenario 2. Moreover, Scenario 2 yields 18% lower emissions than those from natural gas derived electricity in the Netherlands. The biorefinery system represents an opportunity to improve organic waste-management strategies, at the same time as reducing the environmental impact from energy production and the costs for surplus manure disposal by producing high-quality commodities that can be traded on the market. (C) 2017 Elsevier Ltd. 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 |
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Editor |
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Language |
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Wos |
000418978100085 |
Publication Date |
2017-10-13 |
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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 |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0959-6526 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
5.715 |
Times cited |
12 |
Open Access |
|
| |
Notes |
; ; |
Approved |
Most recent IF: 5.715 |
| |
Call Number |
UA @ admin @ c:irua:148444 |
Serial |
6199 |
| Permanent link to this record |
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Author |
de Aquino, B.R.H.; Neek-Amal, M.; Milošević, M.V. |
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Title |
Unconventional two-dimensional vibrations of a decorated carbon nanotube under electric field : linking actuation to advanced sensing ability |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
| |
Volume |
7 |
Issue |
|
Pages |
13481 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| |
Abstract |
We show that a carbon nanotube decorated with different types of charged metallic nanoparticles exhibits unusual two-dimensional vibrations when actuated by applied electric field. Such vibrations and diverse possible trajectories are not only fundamentally important but also have minimum two characteristic frequencies that can be directly linked back to the properties of the constituents in the considered nanoresonator. Namely, those frequencies and the maximal deflection during vibrations are very distinctively dependent on the geometry of the nanotube, the shape, element, mass and charge of the nanoparticle, and are vastly tunable by the applied electric field, revealing the unique sensing ability of devices made of molecular filaments and metallic nanoparticles. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Nature Publishing Group |
Place of Publication |
London |
Editor |
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Language |
|
Wos |
000413188600005 |
Publication Date |
2017-10-12 |
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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 |
2045-2322 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.259 |
Times cited |
1 |
Open Access |
|
| |
Notes |
; This work was supported by the Research Foundation – Flanders (FWO) and Shahid Rajaee Teacher Training University. ; |
Approved |
Most recent IF: 4.259 |
| |
Call Number |
UA @ lucian @ c:irua:146672 |
Serial |
4796 |
| Permanent link to this record |
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Author |
Vermeulen, M.; Saverwyns, S.; Coudray, A.; Janssens, K.; Sanyova, J. |
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Title |
Identification by Raman spectroscopy of pararealgar as a starting material in the synthesis of amorphous arsenic sulfide pigments |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Dyes and pigments |
Abbreviated Journal |
Dyes Pigments |
| |
Volume |
149 |
Issue |
149 |
Pages |
290-297 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
In this study, a combination of elemental analytical techniques (MA-XRF and SEM-EDX) were used to localize arsenic sulfide pigments within a 17th-century Dutch painting and in the stratigraphy of an 18th-century Flemish polychrome sculpture. Once located, Raman spectroscopy was used to obtain the vibrational signature of the arsenic sulfide pigments employed. By means of the latter analytical technique and due to the very distinctive Raman scattering signal of the various arsenic sulfide compounds, it was possible to identify the arsenic-based pigments as natural orpiment and amorphous arsenic sulfide. In the latter case, based on the minor bands observed and the good condition of the paint layers, it was possible to identify pararealgar, the orangey-yellow to yellow degradation product of realgar, as the initial arsenic sulfide material used for the synthesis of the amorphous pigment. To the best of our knowledge, this is the first time that combined pararealgar/amorphous arsenic sulfide Raman spectra are reported in historical samples. Therefore, this would be the first identification of pararealgar as the starting material to produce amorphous, arsenic sulfide pigments used in artworks. |
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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 |
000423246900033 |
Publication Date |
2017-10-12 |
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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 |
0143-7208 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.473 |
Times cited |
7 |
Open Access |
|
| |
Notes |
; This research is made possible with the support of the Belgian Science Policy Office (BELSPO, Brussels) through the research program Science for a Sustainable Development SDD: “Long-term role and fate of metal -sulfides in painted works of art S2ART” (SD/RI/04A). The authors would like to acknowledge the owner of the Abraham Mignon painting, Cecile Glaude for her help with SEM-EDX analyses as well as Livia Depuyt, Carlota Barbosa and Athanasia Fragkou for their assistance. The authors also acknowledge Dr. Karel Palka and Prof. Miroslav Week for their help with the synthesis of the amorphous arsenic sulfide references. ; |
Approved |
Most recent IF: 3.473 |
| |
Call Number |
UA @ admin @ c:irua:149307 |
Serial |
5648 |
| Permanent link to this record |
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Author |
Istomin, S.Y.; Morozov, A.V.; Abdullayev, M.M.; Batuk, M.; Hadermann, J.; Kazakov, S.M.; Sobolev, A.V.; Presniakov, I.A.; Antipov, E.V. |
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Title |
High-temperature properties of (La,Ca)(Fe,Mg,Mo)O3-\delta perovskites as prospective electrode materials for symmetrical SOFC |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| |
Volume |
258 |
Issue |
258 |
Pages |
1-10 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
La1-yCayFe0.5+x(Mg,Mo)(0.5-x)O3-delta oxides with the orthorhombic GdFeO3-type perovskite structure have been synthesized at 1573 K. Transmission electron microscopy study for selected samples shows the coexistence of domains of perovskite phases with ordered and disordered B-cations. Mossbauer spectroscopy studies performed at 300 K and 573 K show that while compositions with low Ca-content (La0.55Ca0.45Fe0.5Mg0.2625Mo0.2375O3-delta and La0.5Ca0.5Fe0.6Mg0.175Mo0.225O3-delta) are nearly oxygen stoichiometric, La0.2Ca0.8Fe0.5Mg0.2625Mo0.2375O3-delta is oxygen deficient with delta approximate to 0.15. Oxides are stable in reducing atmosphere (Ar/H-2, 8%) at 1173 K for 12 h. No additional phases have been observed at XRPD patterns of all studied perovskites and Ce1-xGdxO2-x/2 electrolyte mixtures treated at 1173-1373K, while Fe-rich compositions (x >= 0.1) react with Zr1-xYxO2-x/2 electrolyte above 1273 K. Dilatometry studies reveal that all samples show rather low thermal expansion coefficients (TECs) in air of 11.4-12.7 ppm K-1. In reducing atmosphere their TECs were found to increase up to 12.1-15.4 ppm K-1 due to chemical expansion effect. High-temperature electrical conductivity measurements in air and Ar/H-2 atmosphere show that the highest conductivity is observed for Fe- and Ca-rich compositions. Moderate values of electrical conductivity and TEC together with stability towards chemical interaction with typical SOFC electrolytes make novel Fe-containing perovskites promising electrode materials for symmetrical solid oxide fuel cell. |
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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 |
|
Wos |
000423650400001 |
Publication Date |
2017-10-11 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0022-4596 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
2.299 |
Times cited |
5 |
Open Access |
Not_Open_Access |
| |
Notes |
; This work was financially supported by Russian Science Foundation (project number 16-13-10327). ; |
Approved |
Most recent IF: 2.299 |
| |
Call Number |
UA @ lucian @ c:irua:149283 |
Serial |
4936 |
| Permanent link to this record |
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Author |
Privat-Maldonado, A.; Gorbanev, Y.; O'Connell, D.; Vann, R.; Chechik, V.; van der Woude, M.W. |
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Title |
Nontarget biomolecules alter macromolecular changes induced by bactericidal low-temperature plasma |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
IEEE transactions on radiation and plasma medical sciences |
Abbreviated Journal |
|
| |
Volume |
2 |
Issue |
2 |
Pages |
121-128 |
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
Low-temperature plasmas (LTPs) have a proven bactericidal activity governed by the generated reactive oxygen and nitrogen species (RONS) that target microbial cell components. However, RONS also interact with biomolecules in the environment. Here we assess the impact of these interactions upon exposure of liquid suspensions with variable organic content to an atmospheric-pressure dielectric barrier discharge plasma jet. Salmonella enterica serovar Typhimurium viability in the suspension was reduced in the absence [e. g., phosphate buffered saline (PBS)], but not in the presence of (high) organic content [Dulbecco's Modified Eagle's Medium (DMEM), DMEM supplemented with foetal calf serum, and Lysogeny Broth]. The reduced viability of LTP-treated bacteria in PBS correlated to a loss of membrane integrity, whereas double-strand DNA breaks could not be detected in treated single cells. The lack of bactericidal activity in solutions with high organic content correlated with a relative decrease of center dot OH and O-3/O-2(a(1)Delta g)/O, and an increase of H2O2 and NO2- in the plasma-treated solutions. These results indicate that the redox reactions of LTP-generated RONS with nontarget biomolecules resulted in a RONS composition with reduced bactericidal activity. Therefore, the chemical composition of the bacterial environment should be considered in the development of LTP for antimicrobial treatment, and may affect other biomedical applications as well. |
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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 |
000456148700007 |
Publication Date |
2017-10-11 |
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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 |
|
| |
ISSN |
2469-7311; 2469-7303 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
| |
Notes |
|
Approved |
no |
| |
Call Number |
UA @ admin @ c:irua:156820 |
Serial |
8316 |
| Permanent link to this record |
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Author |
Li, L.L.; Moldovan, D.; Xu, W.; Peeters, F.M. |
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Title |
Electronic properties of bilayer phosphorene quantum dots in the presence of perpendicular electric and magnetic fields |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
96 |
Issue |
15 |
Pages |
155425 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
Using the tight-binding approach, we investigate the electronic properties of bilayer phosphorene (BLP) quantum dots (QDs) in the presence of perpendicular electric and magnetic fields. Since BLP consists of two coupled phosphorene layers, it is of interest to examine the layer-dependent electronic properties of BLP QDs, such as the electronic distributions over the two layers and the so-produced layer-polarization features, and to see how these properties are affected by the magnetic field and the bias potential. We find that in the absence of a bias potential only edge states are layer polarized while the bulk states are not, and the layer-polarization degree (LPD) of the unbiased edge states increases with increasing magnetic field. However, in the presence of a bias potential both the edge and bulk states are layer polarized, and the LPD of the bulk (edge) states depends strongly (weakly) on the interplay of the bias potential and the interlayer coupling. At high magnetic fields, applying a bias potential renders the bulk electrons in a BLP QD to be mainly distributed over the top or bottom layer, resulting in layer-polarized bulk Landau levels (LLs). In the presence of a large bias potential that can drive a semiconductor-to-semimetal transition in BLP, these bulk LLs exhibit different magnetic-field dependences, i.e., the zeroth LLs exhibit a linearlike dependence on the magnetic field while the other LLs exhibit a square-root-like dependence. |
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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 |
000412699800005 |
Publication Date |
2017-10-10 |
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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 |
|
| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
28 |
Open Access |
|
| |
Notes |
; This work was financially supported by the Flemish Science Foundation (FWO-Vl), the National Natural Science Foundation of China (Grant No. 11574319), and the Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 3.836 |
| |
Call Number |
UA @ lucian @ c:irua:146686 |
Serial |
4782 |
| Permanent link to this record |
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| |
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Author |
Arias-Duque, C.; Bladt, E.; Munoz, M.A.; Hernandez-Garrido, J.C.; Cauqui, M.A.; Rodriguez-Izquierdo, J.M.; Blanco, G.; Bals, S.; Calvino, J.J.; Perez-Omil, J.A.; Yeste, M.P. |
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Title |
Improving the redox response stability of ceria-zirconia nanocatalysts under harsh temperature conditions |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
29 |
Issue |
29 |
Pages |
9340-9350 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
<script type='text/javascript'>document.write(unpmarked('By depositing ceria on the surface of yttrium stabilized zirconia (YSZ) nanocrystals and further activation under high-temperature reducing conditions, a 13% mol. CeO2/YSZ catalyst structured as subnanometer thick, pyrochlore-type, ceria-zirconia islands has been prepared. This nanostructured catalyst depicts not only high oxygen storage capacity (OSC) values but, more importantly, an outstandingly stable redox response upon oxidation and reduction treatments at very high temperatures, above 1000 degrees C. This behavior largely improves that observed on conventional ceria-zirconia solid solutions, not only of the same composition but also of those with much higher molar cerium contents. Advanced scanning transmission electron microscopy (STEM-XEDS) studies have revealed as key not only to detect the actual state of the lanthanide in this novel nanocatalyst but also to rationalize its unusual resistance to redox deactivation at very high temperatures. In particular, high-resolution X-ray dispersive energy studies have revealed the presence of unique bilayer ceria islands on top of the surface of YSZ nanocrystals, which remain at surface positions upon oxidation and reduction treatments up to 1000 degrees C. Diffusion of ceria into the bulk of these crystallites upon oxidation at 1100 degrees C irreversibly deteriorates both the reducibility and OSC of this nanostructured catalyst.')); |
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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 |
|
Wos |
000415911600047 |
Publication Date |
2017-10-10 |
| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0897-4756 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
9.466 |
Times cited |
20 |
Open Access |
OpenAccess |
| |
Notes |
; Financial support from MINECO/FEDER (Project ref: MAT2013-40823-R), Junta de Andalucia (FQM334 and FQM110), and EU FP7 (ESTEEM2) are acknowledged. E.B. and S.B. acknowledges financial support from European Research Council (ERC- Starting Grant #33S078-COLOURA-TOM). J.C.H.-G. acknowledges support from the Ramon y Cajal Fellowships Program of MINECO (RYC-2012-10004). ; |
Approved |
Most recent IF: 9.466 |
| |
Call Number |
UA @ lucian @ c:irua:147706UA @ admin @ c:irua:147706 |
Serial |
4880 |
| Permanent link to this record |
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Author |
Momot, A.; Amini, M.N.; Reekmans, G.; Lamoen, D.; Partoens, B.; Slocombe, D.R.; Elen, K.; Adriaensens, P.; Hardy, A.; Van Bael, M.K. |
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Title |
A novel explanation for the increased conductivity in annealed Al-doped ZnO: an insight into migration of aluminum and displacement of zinc |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| |
Volume |
19 |
Issue |
40 |
Pages |
27866-27877 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
A combined experimental and first-principles study is performed to study the origin of conductivity in
ZnO:Al nanoparticles synthesized under controlled conditions via a reflux route using benzylamine as a
solvent. The experimental characterization of the samples by Raman, nuclear magnetic resonance (NMR)
and conductivity measurements indicates that upon annealing in nitrogen, the Al atoms at interstitial
positions migrate to the substitutional positions, creating at the same time Zn interstitials. We provide
evidence for the fact that the formed complex of AlZn and Zni corresponds to the origin of the Knight
shifted peak (KS) we observe in 27Al NMR. As far as we know, the role of this complex has not been
discussed in the literature to date. However, our first-principles calculations show that such a complex is
indeed energetically favoured over the isolated Al interstitial positions. In our calculations we also
address the charge state of the Al interstitials. Further, Zn interstitials can migrate from Al_Zn and possibly
also form Zn clusters, leading to the observed increased conductivity. |
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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 |
000413290500073 |
Publication Date |
2017-10-09 |
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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 |
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 |
26 |
Open Access |
OpenAccess |
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Notes |
We want to thank the Interuniversity Attraction Poles Programme (P7/05) initiated by the Belgian Science Policy Office (BELSPO) for the financial support. We also acknowledge the Research Foundation Flanders (FWO-Vlaanderen) for support via the MULTIMAR WOG project and under project No. G018914. The computational parts were carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, supported financially by the Hercules foundation and the Flemish Government (EWI Department). |
Approved |
Most recent IF: 4.123 |
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Call Number |
EMAT @ emat @c:irua:146878 |
Serial |
4760 |
| Permanent link to this record |
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Author |
Cristale, J.; Álvarez-Martín, A.; Rodriguez-Cruz, S.; Sanchez-Martin, M.J.; Lacorte, S. |
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Title |
Sorption and desorption of organophosphate esters with different hydrophobicity by soils |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Environmental Science and Pollution Research |
Abbreviated Journal |
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Volume |
24 |
Issue |
36 |
Pages |
27870-27878 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Organophosphate esters (OPEs) are ubiquitous contaminants with potentially hazardous effects on both the environment and human health. Knowledge about the soil sorption-desorption process of organic chemicals is important in order to understand their fate, mobility, and bioavailability, enabling an estimation to be made of possible risks to the environment and biota. The aim of this study was to use the batch equilibrium technique to evaluate the sorption-desorption behavior of seven OPEs (TCEP, TCPP, TBEP, TDCP, TBP, TPhP, and EHDP) in soils with distinctive characteristics (two unamended soils and a soil amended with sewage sludge). The equilibrium concentrations of the OPEs were determined by high performance liquid chromatography coupled to a triple quadrupole mass spectrometer (HPLC-MS/MS). All the compounds were sorbed by the soils, and soil organic carbon (OC) played an important role in this process. The sorption of the most soluble OPEs (TCEP, TCPP, and TBEP) depended on soil OC content, although desorption was 58.1%. The less water-soluble OPEs (TDCP, TBP, TPhP, and EHDP) recorded total sorption (100% for TPhP and EHDP) or very high sorption (34.9%) by all the soils and were not desorbed, which could be explained by their highly hydrophobic nature, as indicated by the logarithmic octanol/water partition coefficient (K-ow) values higher than 3.8, resulting in a high affinity for soil OC. The results of the sorption-desorption of the OPEs by soils with different characteristics highlighted the influence of these compounds' physicochemical properties and the content and nature of soil OC in this process. |
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Thesis |
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Publisher |
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Place of Publication |
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Wos |
000417874400025 |
Publication Date |
2017-10-07 |
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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 |
0944-1344; 1614-7499 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:160642 |
Serial |
8558 |
| Permanent link to this record |
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Author |
Cleiren, E.; Heijkers, S.; Ramakers, M.; Bogaerts, A. |
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Title |
Dry Reforming of Methane in a Gliding Arc Plasmatron: Towards a Better Understanding of the Plasma Chemistry |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
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Volume |
10 |
Issue |
20 |
Pages |
4025-4036 |
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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 |
Dry reforming of methane (DRM) in a gliding arc plasmatron is studied for different CH4 fractions in the mixture. The CO2 and CH4 conversions reach their highest values of approximately 18 and 10%, respectively, at 25% CH4 in the gas mixture, corresponding to an overall energy cost of 10 kJ L@1 (or 2.5 eV per molecule) and an energy efficiency of 66%. CO and H2 are the major products, with the formation of smaller fractions of C2Hx (x=2, 4, or 6) compounds and H2O. A chemical kinetics model is used to investigate the underlying chemical processes. The calculated CO2 and CH4 conversion and the energy efficiency are in good agreement with the experimental data. The model calculations reveal that the reaction of CO2 (mainly at vibrationally excited levels) with H radicals is mainly responsible for
the CO2 conversion, especially at higher CH4 fractions in the mixture, which explains why the CO2 conversion increases with increasing CH4 fraction. The main process responsible for CH4 conversion is the reaction with OH radicals. The excellent energy efficiency can be explained by the non-equilibrium character of the plasma, in which the electrons mainly activate the gas molecules, and by the important role of the vibrational kinetics of CO2. The results demonstrate that a gliding arc plasmatron is very promising for DRM. |
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Thesis |
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Place of Publication |
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Wos |
000413565100012 |
Publication Date |
2017-10-02 |
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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 |
1864-5631 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.226 |
Times cited |
23 |
Open Access |
OpenAccess |
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Notes |
Fonds Wetenschappelijk Onderzoek, G.0383.16N ; Federaal Wetenschapsbeleid; |
Approved |
Most recent IF: 7.226 |
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Call Number |
PLASMANT @ plasmant @c:irua:146665 |
Serial |
4759 |
| Permanent link to this record |
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Author |
Peng, L.; Carvajal-Arroyo, J.M.; Seuntjens, D.; Prat, D.; Colica, G.; Pintucci, C.; Vlaeminck, S.E. |
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Title |
Smart operation of nitritation/denitritation virtually abolishes nitrous oxide emission during treatment of co-digested pig slurry centrate |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Water research |
Abbreviated Journal |
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Volume |
127 |
Issue |
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Pages |
1-10 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The implementation of nitritation/denitritation (Nit/DNit) as alternative to nitrification/denitrification (N/DN) is driven by operational cost savings, e.g. 1.0-1.8 EUR/ton slurry treated. However, as for any biological nitrogen removal process, Nit/DNit can emit the potent greenhouse gas nitrous oxide (N2O). Challenges remain in understanding formation mechanisms and in mitigating the emissions, particularly at a low ratio of organic carbon consumption to nitrogen removal (CODrem/N-rem). In this study, the centrate (centrifuge supernatant) from anaerobic co-digestion of pig slurry was treated in a sequencing batch reactor. The process removed approximately 100% of ammonium a satisfactory nitrogen loading rate (0.4 g N/L/d), with minimum nitrite and nitrate in the effluent. Substantial N2O emission (around 17% of the ammonium nitrogen loading) was observed at the baseline operational condition (dissolved oxygen, DO, levels averaged at 0.85 mg O-2/L; CODrem/N-rem of 2.8) with similar to 68% of the total emission contributed by nitritation. Emissions increased with higher nitrite accumulation and lower organic carbon to nitrogen ratio. Yet, higher DO levels (similar to 2.2 mg O-2/L) lowered the aerobic N2O emission and weakened the dependency on nitrite concentration, suggesting a shift in N2O production pathway. The most effective N2O mitigation strategy combined intermittent patterns of aeration, anoxic feeding and anoxic carbon dosage, decreasing emission by over 99% (down to similar to 0.12% of the ammonium nitrogen loading). Without anaerobic digestion, mitigated Nit/DNit decreases the operational carbon footprint with about 80% compared to N/DN. With anaerobic digestion included, about 4 times more carbon is sequestered. In conclusion, the low CODrem/N-rem feature of Nit/DNit no longer offsets its environmental sustainability provided the process is smartly operated. (c) 2017 Elsevier Ltd. All rights reserved. |
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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 |
000418219000001 |
Publication Date |
2017-09-30 |
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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 |
0043-1354; 1879-2448 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:148521 |
Serial |
8548 |
| Permanent link to this record |
