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Author |
de de Meux, A.J.; Pourtois, G.; Genoe, J.; Heremans, P. |
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Title |
Defects in amorphous semiconductors : the case of amorphous indium gallium zinc oxide |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review applied |
Abbreviated Journal |
Phys Rev Appl |
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Volume |
9 |
Issue |
9 |
Pages |
054039 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Based on a rational classification of defects in amorphous materials, we propose a simplified model to describe intrinsic defects and hydrogen impurities in amorphous indium gallium zinc oxide (a-IGZO). The proposed approach consists of organizing defects into two categories: point defects, generating structural anomalies such as metal-metal or oxygen-oxygen bonds, and defects emerging from changes in the material stoichiometry, such as vacancies and interstitial atoms. Based on first-principles simulations, it is argued that the defects originating from the second group always act as perfect donors or perfect acceptors. This classification simplifies and rationalizes the nature of defects in amorphous phases. In a-IGZO, the most important point defects are metal-metal bonds (or small metal clusters) and peroxides (O-O single bonds). Electrons are captured by metal-metal bonds and released by the formation of peroxides. The presence of hydrogen can lead to two additional types of defects: metal-hydrogen defects, acting as acceptors, and oxygen-hydrogen defects, acting as donors. The impact of these defects is linked to different instabilities observed in a-IGZO. Specifically, the diffusion of hydrogen and oxygen is connected to positive-and negative-bias stresses, while negative-bias illumination stress originates from the formation of peroxides. |
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Publisher |
American Physical Society |
Place of Publication |
College Park, Md |
Editor |
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Language |
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Wos |
000433070900003 |
Publication Date |
2018-05-25 |
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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 |
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ISSN |
2331-7019 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.808 |
Times cited |
7 |
Open Access |
OpenAccess |
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Notes |
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Approved  |
Most recent IF: 4.808 |
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Call Number |
UA @ lucian @ c:irua:151497 |
Serial |
5019 |
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Author |
Yin, L.; Juneja, R.; Lindsay, L.; Pandey, T.; Parker, D.S. |
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Title |
Semihard iron-based permanent-magnet materials |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Physical Review Applied |
Abbreviated Journal |
Phys Rev Appl |
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Volume |
15 |
Issue |
2 |
Pages |
024012 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Permanent magnets generally require a favorable, but difficult-to-achieve combination of high magnetization, Curie point, and magnetic anisotropy. Thus there have been few, if any, viable permanent magnets developed since the 1982 discovery of Nd2Fe14B [M. Sagawa, S. Fujimura, H. Yamamoto, Y. Matsuura, and S. Hirosawa, J. Appl. Phys. 57, 4094 (1985)]. Here we point out, both by direct first-principles calculations on the iron carbides and silicides Fe5C2, Fe5SiC, and Fe7C3 as well as a discussion of recent experimental findings, that there are numerous rare-earth-free iron-rich potential permanent-magnet materials with sufficient intrinsic magnetic properties to reasonably achieve room-temperature energy products of 20-25 MG Oe. This is substantially better than the performance of the best available rare-earth-free magnets based on ferrite, as well as shape-anisotropy-employing alnico. These magnets could plausibly fill, at low cost, the present performance “gap” [J. M. D. Coey, Scr. Mater. 67, 524 (2012)] between the best rare-earth-free magnets and rare-earth magnets such as Nd2Fe14B and Sm-Co. |
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Place of Publication |
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Wos |
000614707800002 |
Publication Date |
2021-02-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2331-7019 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.808 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 4.808 |
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Call Number |
UA @ admin @ c:irua:176624 |
Serial |
6734 |
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Author |
Sethu, K.K.V.; Ghosh, S.; Couet, S.; Swerts, J.; Sorée, B.; De Boeck, J.; Kar, G.S.; Garello, K. |
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Title |
Optimization of tungsten beta-phase window for spin-orbit-torque magnetic random-access memory |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Physical Review Applied |
Abbreviated Journal |
Phys Rev Appl |
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Volume |
16 |
Issue |
6 |
Pages |
064009 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Switching induced by spin-orbit torque (SOT) is being vigorously explored, as it allows the control of magnetization using an in-plane current, which enables a three-terminal magnetic-tunnel-junction geometry with isolated read and write paths. This significantly improves the device endurance and the read stability, and allows reliable subnanosecond switching. Tungsten in the beta phase, beta-W, has the largest reported antidamping SOT charge-to-spin conversion ratio (theta(AD) approximate to -60%) for heavy metals. However, beta-W has a limitation when one is aiming for reliable technology integration: the beta phase is limited to a thickness of a few nanometers and enters the alpha phase above 4 nm in our samples when industry-relevant deposition tools are used. Here, we report our approach to extending the range of beta-W, while simultaneously improving the SOT efficiency by introducing N and O doping of W. Resistivity and XRD measurements confirm the extension of the beta phase from 4 nm to more than 10 nm, and transport characterization shows an effective SOT efficiency larger than -44.4% (reaching approximately -60% for the bulk contribution). In addition, we demonstrate the possibility of controlling and enhancing the perpendicular magnetic anisotropy of a storage layer (Co-Fe-B). Further, we integrate the optimized W(O, N) into SOT magnetic random-access memory (SOT-MRAM) devices and project that, for the same thickness of SOT material, the switching current decreases by 25% in optimized W(O, N) compared with our standard W. Our results open the path to using and further optimizing W for integration of SOT-MRAM technology. |
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Corporate Author |
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Place of Publication |
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Wos |
000729005800002 |
Publication Date |
2021-12-03 |
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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 |
2331-7019 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.808 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 4.808 |
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Call Number |
UA @ admin @ c:irua:184832 |
Serial |
7007 |
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Author |
Tao, Z.H.; Dong, H.M.; Milošević, M.V.; Peeters, F.M.; Van Duppen, B. |
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Title |
Tailoring dirac plasmons via anisotropic dielectric environment by design |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Physical Review Applied |
Abbreviated Journal |
Phys Rev Appl |
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Volume |
16 |
Issue |
5 |
Pages |
054030 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Dirac plasmons in a two-dimensional (2D) crystal are strongly affected by the dielectric properties of the environment, due to interaction of their electric field lines with the surrounding medium. Using graphene as a 2D reservoir of free carriers, one can engineer a material configuration that provides an anisotropic environment to the plasmons. In this work, we discuss the physical properties of Dirac plasmons in graphene surrounded by an arbitrary anisotropic dielectric and exemplify how h-BN-based heterostructures can be designed to bear the required anisotropic characteristics. We calculate how dielec-tric anisotropy impacts the spatial propagation of the plasmons and find that an anisotropy-induced plasmon mode emerges, together with a damping pathway, that stem from the out-of-plane off-diagonal elements in the dielectric tensor. Furthermore, we find that one can create hyperbolic plasmons by inher-iting the dielectric hyperbolicity of the designed material environment. Strong control over plasmon propagation patterns can be realized in a similar manner. Finally, we show that in this way one can also control the polarization of the light-matter excitations that constitute the plasmon. Taken together, our results promote the design of the dielectric environment as an effective path to tailor the plasmonic response of graphene on the nanoscopic level. |
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Corporate Author |
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Place of Publication |
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Editor |
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Language |
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Wos |
000720372500002 |
Publication Date |
2021-11-15 |
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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 |
2331-7019 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.808 |
Times cited |
2 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 4.808 |
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Call Number |
UA @ admin @ c:irua:184063 |
Serial |
7028 |
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Author |
Zhong, R.; Peng, L.; de Clippel, F.; Gommes, C.; Goderis, B.; Ke, X.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F. |
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Title |
An eco-friendly soft template synthesis of mesostructured silica-carbon nanocomposites for acid catalysis |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
ChemCatChem |
Abbreviated Journal |
Chemcatchem |
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Volume |
7 |
Issue |
7 |
Pages |
3047-3058 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The synthesis of ordered mesoporous silica-carbon composites was explored by employing TEOS and sucrose as the silica and carbon precursor respectively, and the triblock copolymer F127 as a structure-directing agent via an evaporation-induced self-assembly (EISA) process. It is demonstrated that the synthesis procedures allow for control of the textural properties and final composition of these silica-carbon nanocomposites via adjustment of the effective SiO2/C weight ratio. Characterization by SAXS, N-2 physisorption, HRTEM, TGA, and C-13 and Si-29 solid-state MAS NMR show a 2D hexagonal mesostructure with uniform large pore size ranging from 5.2 to 7.6nm, comprising of separate carbon phases in a continuous silica phase. Ordered mesoporous silica and non-ordered porous carbon can be obtained by combustion of the pyrolyzed nanocomposites in air or etching with HF solution, respectively. Sulfonic acid groups can be readily introduced to such kind of silica-carbon nanocomposites by a standard sulfonation procedure with concentrated sulfuric acid. Excellent acid-catalytic activities and selectivities for the dimerization of styrene to produce 1,3-diphenyl-1-butene and dimerization of -methylstyrene to unsaturated dimers were demonstrated with the sulfonated materials. |
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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 |
000361189400037 |
Publication Date |
2015-09-03 |
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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 |
1867-3880; 1867-3899 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.803 |
Times cited |
13 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.803; 2015 IF: 4.556 |
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Call Number |
UA @ lucian @ c:irua:127836 |
Serial |
4138 |
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Author |
Saqlain, M.A.; Hussain, A.; Siddiq, D.M.; Leenaerts, O.; Leitão, A.A. |
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Title |
DFT Study of Synergistic Catalysis of the Water-Gas-Shift Reaction on Cu-Au Bimetallic Surfaces |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
ChemCatChem |
Abbreviated Journal |
Chemcatchem |
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Volume |
8 |
Issue |
8 |
Pages |
1208-1217 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The water-gas-shift reaction (WGSR) is an important industrial process that can be significantly enhanced at suitable catalyst surfaces. In this work, we investigate the catalytic behavior of metallic Cu(1 0 0) and bimetallic Cu–Au(1 0 0) surfaces. With density functional theory calculations, the variation in the Gibbs free energy (ΔG°), the activation barriers, and the rate constants for the WGSR are calculated. The variation in ΔG° for water dissociation shows that the process is spontaneous up to 520 K on the bimetallic surface and up to 229 K on the Cu(1 0 0) surface. The calculated rate constants for the process also show that the bimetallic surface is much more reactive than the Cu(1 0 0) surface. The calculated pressure–temperature phase diagram for water dissociation shows that the partial pressure of H2O required for water dissociation on the bimetallic surface is substantially lower than that on the Cu(1 0 0) surface at all the studied temperatures. Additionally, the calculations demonstrate that the kinetics of the water-gas-shift reaction is dominated by redox processes on both the surfaces. |
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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 |
000373074900026 |
Publication Date |
2016-02-26 |
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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 |
1867-3880 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.803 |
Times cited |
8 |
Open Access |
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Notes |
; The authors would like to thank the Brazilian agencies CNPq, CAPES, FAPEMIG (CEX-PPM-00262/13), and TWAS for financial support and CENAPAD-SP for computational facilities. M.A. Saqlain pays special thanks to all the members of GFQSI for making his stay in Brazil memorable. ; |
Approved |
Most recent IF: 4.803 |
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Call Number |
c:irua:133236 |
Serial |
4070 |
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Author |
Gestels, A.; Van der Snickt, G.; Caen, J.; Nuyts, G.; Legrand, S.; Vanmeert, F.; Detry, F.; Janssens, K.; Steenackers, G. |
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Title |
Combined MA-XRF, MA-XRPD and SEM-EDX analysis of a medieval stained-glass panel formerly from Notre Dame, Paris reveals its material history |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Microchemical journal |
Abbreviated Journal |
Microchem J |
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Volume |
177 |
Issue |
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Pages |
107304 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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Abstract |
As part of its conservation-restoration, the 13th century stained-glass panel ‘the Annunciation’, was examined at the micro- and macro level. This window, since 1898 in the collection of the Museum Mayer Van den Bergh (Antwerp, B), was formerly a part of the southern Rose window of the Notre Dame Cathedral (Paris, F). The insigths emerging from a first phase of the analysis, comprising non-invasive analysis techniques such as optical microscopy combined with macroscopic X-ray fluorescence (MA-XRF) and X-ray diffraction (MA-XRPD) mapping, were used to select sampling positions for the second phase of investigation that involved micro-invasive analysis, namely scanning-electron microscopy coupled to energy-dispersive X-ray analysis (SEM-EDX). The aim of the investigation was fourfold: (1) to assess the applicability of MA-XRF scanning for the characterisation of stained glass windows prior to any conservation or restoration procedure, (2) to assess the applicability of MA-XRPD scanning to identify the degradation products formed on the surface of stained glass windows, (3) to establish a method to limit the set of sampled glass fragments taken from a glass panel for quantititive analysis while maintaining sufficient representativeness and (4) to distinguish the original glass panes and grisaille paint from non-original glass panes that were inserted during various past interventions. Most of the panes in this window proved to consist of medieval potash glass, consistent with the 13th c. origin of the window while a limited number of panes were identified as non-original infills, with divergent glass compositional types and/or colorants. Most panes derive their color from the pot metal glass (i.e. homogenously colored) they were made of. Some of the panes that originally had a red flashed layer on their surface, completely or partially lost this layer due to weathering. Three main compositional glass families with similar color could be defined. With the exception of the yellow and orange panes, the chromophoric elements responsible for the dark(er) and light(er) blue (Co), green (Cu), purple (Mn) and red colors (Cu) were identified. Two different grisaille paints were encountered, part of which were restored during the 19th century. On the basis of this information, all missing pieces were replaced by glass panes with appropriate colors and the panel could be successfully conserved to its former glory. On the surface of several panes, typical glass degradation products such as calcite, syngenite and gypsum were identified, together with lead based degradation products such as anglesite and palmierite. In addition, the presence of hematite and melanotekite in the grisailles was observed; also the presence of Zn, uncorrelated to Cu, in the grissailes on the right side of the window became apparent. |
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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 |
000850000900001 |
Publication Date |
2022-02-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0026-265x; 0026-265x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.8 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.8 |
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Call Number |
UA @ admin @ c:irua:187493 |
Serial |
7138 |
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Author |
Fabri, C.; Moretti, M.; Van Passel, S. |
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Title |
On the (ir)relevance of heatwaves in climate change impacts on European agriculture |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Climatic Change |
Abbreviated Journal |
Climatic Change |
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Volume |
174 |
Issue |
1-2 |
Pages |
16-20 |
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Keywords |
A1 Journal article; Engineering Management (ENM) |
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Abstract |
The Ricardian model is a widely used approach based on cross-sectional regression analysis to estimate climate change impacts on agricultural productivity. Up until now, researchers have focused on the impacts of gradual changes in temperature and precipitation, even though climate change is known to encompass also changes in the severity and frequency of extreme weather events. This research investigates the impact of heatwaves on European agriculture, additional to the impact of average climate change. Using a dataset of more than 60,000 European farms, the study examines whether adding a measure for heatwaves to the Ricardian model influences its results. We find that heatwaves have a minor impact on agricultural productivity and that this impact is moderated by average temperature. In colder regions, farm productivity increases with the number of heatwave days. For warmer regions, land values decrease with heatwave frequency. Despite the moderating effect, the marginal effect of heatwave frequency, i.e. the percentage change in agricultural land values caused by one more heatwave day per year, is small in comparison to the effect of average temperature increases. Non-marginal effects are found to be relevant, but only in the case of increased heatwave frequency. According to our results, farms are not expected to suffer more from extreme weather than from mean climate change, as was claimed by several previous studies. |
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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 |
000861873100002 |
Publication Date |
2022-09-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0165-0009; 1573-1480 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
4.8 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.8 |
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Call Number |
UA @ admin @ c:irua:191483 |
Serial |
7364 |
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| Permanent link to this record |
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Author |
Meng, S.; Li, S.; Sun, S.; Bogaerts, A.; Liu, Y.; Yi, Y. |
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Title |
NH3 decomposition for H2 production by thermal and plasma catalysis using bimetallic catalysts |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Chemical engineering science |
Abbreviated Journal |
Chemical Engineering Science |
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Volume |
283 |
Issue |
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Pages |
119449 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Plasma catalysis has emerged as a promising approach for driving thermodynamically unfavorable chemical
reactions. Nevertheless, comprehending the mechanisms involved remains a challenge, leading to uncertainty
about whether the optimal catalyst in plasma catalysis aligns with that in thermal catalysis. In this research, we
explore this question by studying monometallic catalysts (Fe, Co, Ni and Mo) and bimetallic catalysts (Fe-Co, Mo-
Co, Fe-Ni and Mo-Ni) in both thermal catalytic and plasma catalytic NH3 decomposition. Our findings reveal that
the Fe-Co bimetallic catalyst exhibits the highest activity in thermal catalysis, the Fe-Ni bimetallic catalyst
outperforms others in plasma catalysis, indicating a discrepancy between the optimal catalysts for the two
catalytic modes in NH3 decomposition. Comprehensive catalyst characterization, kinetic analysis, temperature
program surface reaction experiments and plasma diagnosis are employed to discuss the key factors influencing
NH3 decomposition performance. |
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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 |
001105312500001 |
Publication Date |
2023-10-28 |
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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 |
0009-2509 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.7 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
Universiteit Antwerpen, 32249 ; National Natural Science Foundation of China, 21503032 ; PetroChina Innovation Foundation, 2018D-5007-0501 ; |
Approved |
Most recent IF: 4.7; 2024 IF: 2.895 |
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Call Number |
PLASMANT @ plasmant @c:irua:201009 |
Serial |
8967 |
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Author |
Wang, Y.; Yuan, Y.; Liao, X.; Van Tendeloo, G.; Zhao, Y.; Sun, C. |
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Title |
Chip-based in situ TEM investigation of structural thermal instability in aged layered cathode |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Nanoscale Advances |
Abbreviated Journal |
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Volume |
5 |
Issue |
16 |
Pages |
4182-4190 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Thermally induced oxygen release is an intrinsic structural instability in layered cathodes, which causes thermal runaway issues and becomes increasingly critical with the continuous improvement in energy density. Furthermore, thermal runaway events always occur in electrochemically aged cathodes, where the coupling of the thermal and electrochemical effect remains elusive. Herein, we report the anomalous segregation of cobalt metal in an aged LiCoO2 cathode, which is attributed to the local exposure of the high-energy (100) surface of LiCoO2 and weak interface Co-O dangling bonds significantly promoting the diffusion of Co. The presence of the LCO-Co interface severely aggregated the oxygen release in the form of dramatic Co growth. A unique particle-to-particle oxygen release pathway was also found, starting from the isolated high reduction areas induced by the cycling heterogeneity. This study provides atomistic insight into the robust coupling between the intrinsic structural instability and electrochemical cycling. |
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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 |
001030149900001 |
Publication Date |
2023-07-14 |
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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 |
2516-0230 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
4.7 |
Times cited |
|
Open Access |
OpenAccess |
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| |
Notes |
|
Approved |
Most recent IF: 4.7; 2023 IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:198281 |
Serial |
8841 |
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| Permanent link to this record |
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Author |
Andersen, Ja.; van 't Veer, K.; Christensen, Jm.; Østberg, M.; Bogaerts, A.; Jensen, Ad. |
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Title |
Ammonia decomposition in a dielectric barrier discharge plasma: Insights from experiments and kinetic modeling |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Chemical engineering science |
Abbreviated Journal |
|
|
| |
Volume |
271 |
Issue |
|
Pages |
118550 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Utilizing ammonia as a storage medium for hydrogen is currently receiving increased attention. A possible method to retrieve the hydrogen is by plasma-catalytic decomposition. In this work, we combined an experimental study, using a dielectric barrier discharge plasma reactor, with a plasma kinetic model, to get insights into the decomposition mechanism. The experimental results revealed a similar effect on the ammonia conversion when changing the flow rate and power, where increasing the specific energy input (higher power or lower flow rate) gave an increased conversion. A conversion as high as 82 % was achieved at a specific energy input of 18 kJ/Nl. Furthermore, when changing the discharge volume from 31 to 10 cm3, a change in the plasma distribution factor from 0.2 to 0.1 was needed in the model to best describe the conversions of the experiments. This means that a smaller plasma volume caused a higher transfer of energy through micro-discharges (non-uniform plasma), which was found to promote the decomposition of ammonia. These results indicate that it is the collisions between NH3 and the high-energy electrons that initiate the decomposition. Moreover, the rate of ammonia destruction was found by the model to be in the order of 1022 molecules/(cm3 s) during the micro-discharges, which is 5 to 6 orders of magnitude higher than in the afterglows. A considerable re-formation of ammonia was found to take place in the afterglows, limiting the overall conversion. In addition, the model revealed that implementation of packing material in the plasma introduced high concentrations of surface-bound hydrogen atoms, which introduced an additional ammonia re-formation pathway through an Eley-Rideal reaction with gas phase NH2. Furthermore, a more uniform plasma is predicted in the presence of MgAl2O4, which leads to a lower average electron energy during micro-discharges and a lower conversion (37 %) at a comparable residence time for the plasma alone (51 %). |
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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 |
000946293200001 |
Publication Date |
2023-02-09 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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| |
ISSN |
0009-2509 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.7 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
We thank Topsoe A/S for providing the packing material used, the research group PLASMANT (UAntwerpen) for sharing their plasma kinetic model and allowing us to perform the calculations on their clusters, and the Department of Chemical and Biochemical Engineering, Technical University of Denmark, for funding this project. |
Approved |
Most recent IF: 4.7; 2023 IF: 2.895 |
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Call Number |
PLASMANT @ plasmant @c:irua:195204 |
Serial |
7237 |
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| Permanent link to this record |
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Author |
Krishnamurthy, S.C.; Arseenko, M.; Kashiwar, A.; Dufour, P.; Marchal, Y.; Delahaye, J.; Idrissi, H.; Pardoen, T.; Mertens, A.; Simar, A. |
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Title |
Controlled precipitation in a new Al-Mg-Sc alloy for enhanced corrosion behavior while maintaining the mechanical performance |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Materials characterization |
Abbreviated Journal |
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| |
Volume |
200 |
Issue |
|
Pages |
112886-11 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The hot working of 5xxx series alloys with Mg ≥3.5 wt% is a concern due to the precipitation of β (Al3Mg2) phase at grain boundaries favoring Inter Granular Corrosion (IGC). The mechanical and corrosion properties of a new 5028-H116 Al-Mg-Sc alloy under various β precipitates distribution is analyzed by imposing different cooling rates from the hot forming temperature (i.e. 325 °C). The mechanical properties are maintained regardless of the heat treatment. However, the different nucleation sites and volume fractions of β precipitates for different cooling rates critically affect IGC. Controlled furnace cooling after the 325 °C heat treatment is ideal in 5028-H116 alloy to reduce susceptibility to IGC after sensitization. |
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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 |
000977059100001 |
Publication Date |
2023-04-03 |
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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 |
1044-5803 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.7 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
|
Approved |
Most recent IF: 4.7; 2023 IF: 2.714 |
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| |
Call Number |
UA @ admin @ c:irua:195598 |
Serial |
7291 |
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| Permanent link to this record |
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Author |
Yang, T.; Kong, Y.; Li, K.; Lu, Q.; Wang, Y.; Du, Y.; Schryvers, D. |
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Title |
Quasicrystalline clusters transformed from C14-MgZn₂ nanoprecipitates in Al alloys |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Materials characterization |
Abbreviated Journal |
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| |
Volume |
199 |
Issue |
|
Pages |
112772-112777 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Ultrafine faulty C14-MgZn2 Laves phase precipitates containing quasicrystalline clusters and demonstrating the formation of binary quasicrystalline precipitates with Penrose-like random-tiling were observed in the over-aged FCC matrix of a commercial 7N01 Al-Zn-Mg alloy, using high angle annular dark field scanning transmission electron microscopy. The evolution from C14-Laves phase to quasicrystalline clusters is illustrated, and five-fold symmetry can be found in both real and reciprocal spaces. Our findings reveal the possibility of quasicrystalline formation from Laves phase in a highly plastic metal matrix like Al and demonstrate the structural relationship between Laves phase and quasicrystals. |
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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 |
000954788800001 |
Publication Date |
2023-03-02 |
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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 |
1044-5803 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.7 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
|
Approved |
Most recent IF: 4.7; 2023 IF: 2.714 |
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Call Number |
UA @ admin @ c:irua:196106 |
Serial |
8446 |
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| Permanent link to this record |
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Author |
Reguera, J.; Flora, T.; Winckelmans, N.; Rodriguez-Cabello, J.C.; Bals, S. |
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Title |
Self-assembly of Janus Au:Fe₃O₄ branched nanoparticles. From organized clusters to stimuli-responsive nanogel suprastructures |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Nanoscale Advances |
Abbreviated Journal |
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Volume |
2 |
Issue |
6 |
Pages |
2525-2530 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Janus nanoparticles offer enormous possibilities through a binary selective functionalization and dual properties. Their self-assembly has attracted strong interest due to their potential as building blocks to obtain molecular colloids, supracrystals and well-organized nanostructures that can lead to new functionalities. However, this self-assembly has been focused on relatively simple symmetrical morphologies, while for complex nanostructures this process has been unexplored. Here, we study the assembly of plasmonic-magnetic Janus nanoparticles with a branched (nanostar) – sphere morphology. The branched morphology enhances their plasmonic properties in the near-infrared region and therefore their applicability, but at the same time constrains their self-assembly capabilities to obtain more organized or functional suprastructures. We describe the self-assembly of these nanoparticles after amphiphilic functionalization. The role of the nanoparticle branching, as well as the size of the polymer-coating, is explored. We show how the use of large molecular weight stabilizing polymers can overcome the anisotropy of the nanoparticles producing a change in the morphology from small clusters to larger quasi-cylindrical nanostructures. Finally, the Janus nanoparticles are functionalized with a thermo-responsive elastin-like recombinamer. These nanoparticles undergo reversible self-assembly in the presence of free polymer giving rise to nanoparticle-stabilized nanogel-like structures with controlled size, providing the possibility to expand their applicability to multi-stimuli controlled self-assembly. |
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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 |
000543283200032 |
Publication Date |
2020-04-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2516-0230 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.7 |
Times cited |
10 |
Open Access |
OpenAccess |
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Notes |
; J. R. acknowledges the.nancial support of Basque Country Elkartek-KK-2019/ 00101. T. F. and J. C. R-C acknowledge the funding from the European Commission (NMP-2014-646075), the Spanish Government (PCIN-2015-010 (FunBioPlas), MAT2016-78903-R), Junta de Castilla y Leon (VA317P18) and Centro en Red de Medicina Regenerativa y Terapia Celular de Castilla y Leon. ; |
Approved |
Most recent IF: 4.7; 2020 IF: NA |
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Call Number |
UA @ admin @ c:irua:170773 |
Serial |
6600 |
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| Permanent link to this record |
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Author |
Wei, P.; Ke, B.; Xing, L.; Li, C.; Ma, S.; Nie, X.; Zhu, W.; Sang, X.; Zhang, Q.; Van Tendeloo, G.; Zhao, W. |
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Title |
Atomic-resolution interfacial structures and diffusion kinetics in Gd/Bi0.5Sb1.5Te3 magnetocaloric/thermoelectric composites |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Materials Characterization |
Abbreviated Journal |
Mater Charact |
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Volume |
163 |
Issue |
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Pages |
110240-110248 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The demand of a full solid-state cooling technology based on magnetocaloric and thermoelectric effects has led to a growing interest in screening candidate materials with high-efficiency cooling performance, which also stimulates the exploration of magnetocaloric/thermoelectric hybrid cooling materials. A series of Gd/Bi0.5Sb1.5Te3 composites was fabricated in order to develop the hybrid cooling technology. The chemical composition, phase structure and diffusion kinetics across the reaction layers in Gd/Bi0.5Sb1.5Te3 composites were analyzed at different reaction temperatures. Micro-area elemental analysis indicates that the formation of interfacial phases is dominated by the diffusion of Gd and Te while the diffusion of Bi and Sb is impeded. The interfacial phases, including GdTe2, GdTe3, and intermediate phases GdTex, are identified by atomic-resolution electron microscopy. The concentration modulation of Gd and Te is adapted by altering the stacking of the Te square-net sheets and the corrugated GdTe sheets. Boltzmann-Marano analysis was applied to reveal the diffusion kinetics of Gd and Te in the interfacial layers. The diffusion coefficients of Te in GdTe2 and GdTe3 are much higher than that of Gd while in GdTe the situation is reversed. This study provides a clear picture to understand the interfacial phase structures down to an atomic scale as well as the interfacial diffusion kinetics in Gd/Bi0.5Sb1.5Te3 hybrid cooling materials. |
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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 |
000551341700045 |
Publication Date |
2020-03-03 |
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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 |
1044-5803 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.7 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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Notes |
; This work was supported by National Natural Science Foundation of China (Nos. 91963122, 11834012, 51620105014, 51521001, 51902237), National Key Research and Development Program of China (No. 2018YFB0703603), the Fundamental Research Funds for the Central Universities (WUT: 2019III012GX, 183101006). XRD and EPMA experiments were performed at the Center for Materials Research and Testing of Wuhan University of Technology. ; |
Approved |
Most recent IF: 4.7; 2020 IF: 2.714 |
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Call Number |
UA @ admin @ c:irua:171317 |
Serial |
6456 |
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| Permanent link to this record |
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Author |
Cao, S.; Zeng, C.Y.; Li, Y.Y.; Yao, X.; Ma, X.; Samaee, V.; Schryvers, D.; Zhang, X.P. |
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Title |
Quantitative FIB/SEM three-dimensional characterization of a unique Ni₄Ti₃ network in a porous Ni50.8Ti49.2 alloy undergoing a two-step martensitic transformation |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Materials Characterization |
Abbreviated Journal |
Mater Charact |
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| |
Volume |
169 |
Issue |
|
Pages |
110595 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The three-dimensional (3D) nanostructure of Ni4Ti3 precipitates in a porous Ni50.8Ti49.2 alloy has been re-constructed by “Slice-and-View” in a Focused Ion Beam/Scanning Electron Microscope (FIB/SEM). The 3D configuration of these precipitates forming a network structure in the B2 austenite matrix has been characterized via 3D visualization and quantitative analysis including volume fraction, skeleton, degree of anisotropy and local thickness. It is found that dense Ni4Ti3 precipitates occupy 54% of the volume in the B2 austenite matrix. Parallel Ni4Ti3 precipitates grow alongside the surface of a micro-pore, yielding an asymmetric structure, while nano voids do not seem to affect the growth of Ni4Ti3 precipitates. The small average local thickness of the precipitates around 60 nm allows their coherency with the matrix, and further induces the R-phase transformation in the matrix. On the other hand, the B2 matrix exhibits a winding and narrow structure with a skeleton of 18.20 mm and a thickness similar to the precipitates. This discontinuous matrix segmented by the Ni4Ti3 network and pores is responsible for the gradual transformation by stalling the martensite propagation. |
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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 |
000584353100001 |
Publication Date |
2020-08-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1044-5803 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.7 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
; This work was supported by the National Natural Science Foundation of China under Grant Nos. 51401081 and 51571092, the Natural Science Foundation of Guangdong Province through Key Project under Grant No. 2018B0303110012 and General Project under Grant No. 2017A030313323, and China Scholarship Council (CSC). ; |
Approved |
Most recent IF: 4.7; 2020 IF: 2.714 |
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Call Number |
UA @ admin @ c:irua:173547 |
Serial |
6590 |
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| Permanent link to this record |
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Author |
Ding, L.; Raskin, J.-P.; Lumbeeck, G.; Schryvers, D.; Idrissi, H. |
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Title |
TEM investigation of the role of the polycrystalline-silicon film/substrate interface in high quality radio frequency silicon substrates |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Materials Characterization |
Abbreviated Journal |
Mater Charact |
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| |
Volume |
161 |
Issue |
|
Pages |
110174-10 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The microstructural characteristics of two polycrystalline silicon (poly-Si) films with different electrical properties produced by low-pressure chemical vapour deposition on top of high resistivity silicon substrates were investigated by advanced transmission electron microscopy (TEM), including high resolution aberration corrected TEM and automated crystallographic orientation mapping in TEM. The results reveal that the nature of the poly-Si film/Si substrate interface is the main factor controlling the electrical resistivity of the poly-Si films. The high resistivity and high electrical linearity of poly-Si films are strongly promoted by the Sigma 3 twin type character of the poly-Si/Si substrate interface, leading to the generation of a huge amount of extended defects including stacking faults, Sigma 3 twin boundaries as well as Sigma 9 grain boundaries at this interface. Furthermore, a high density of interfacial dislocations has been observed at numerous common and more exotic grain boundaries deviating from their standard crystallographic planes. In contrast, poly-Si film/Si substrate interfaces with random character do not favour the formation of such complex patterns of defects, leading to poor electrical resistivity of the poly-Si film. This finding opens windows for the development of high resistivity silicon substrates for Radio Frequency (RF) integrated circuits (ICs) applications. |
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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 |
000521515800027 |
Publication Date |
2020-01-30 |
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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 |
1044-5803 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.7 |
Times cited |
|
Open Access |
Not_Open_Access |
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| |
Notes |
; H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). ; |
Approved |
Most recent IF: 4.7; 2020 IF: 2.714 |
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Call Number |
UA @ admin @ c:irua:168664 |
Serial |
6621 |
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| Permanent link to this record |
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Author |
Lybaert, J.; Maes, B.U.W.; Tehrani, K.A.; De Wael, K. |
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Title |
The electrochemistry of tetrapropylammonium perruthenate, its role in the oxidation of primary alcohols and its potential for electrochemical recycling |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Electrochimica acta |
Abbreviated Journal |
Electrochim Acta |
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Volume |
182 |
Issue |
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Pages |
693-698 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Organic synthesis (ORSY) |
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Abstract |
The search for strategies aiming at more sustainable (oxidation) reactions has led to the application of electrochemistry for recycling the spent catalyst. In this work, an electrochemical study of the tetrapropylammonium perruthenate catalyst (TPAP) and its activity towards a primary alcohol, n-butanol, has been carried out as well as a control study with tert-butanol. The redox chemistry of TPAP and the transition between the perruthenate anion and ruthenium tetroxide in a non-aqueous solvent have been, for the first time, investigated in depth. The oxidation reaction of n-butanol in the presence of TPAP has been electrochemically elucidated by performing potentiostatic experiments and registration of the corresponding oxidation current. Furthermore, it was shown that, by applying a specific potential, the reoxidized TPAP is able to oxidize/convert the primary alcohol, paving the way for practical applications using TPAP in electrochemical synthesis. The conversion of n-butanol into n-butanal was proven by the use of GC-MS. |
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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 |
000365075800084 |
Publication Date |
2015-09-25 |
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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 |
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ISSN |
0013-4686 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.798 |
Times cited |
2 |
Open Access |
|
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Notes |
; ; |
Approved |
Most recent IF: 4.798; 2015 IF: 4.504 |
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| |
Call Number |
UA @ admin @ c:irua:127676 |
Serial |
5599 |
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| Permanent link to this record |
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Author |
Radvanyi, E.; Van Havenbergh, K.; Porcher, W.; Jouanneau, S.; Bridel, J.-S.; Put, S.; Franger, S. |
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Title |
Study and modeling of the Solid Electrolyte Interphase behavior on nano-silicon anodes by Electrochemical Impedance Spectroscopy |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Electrochimica acta |
Abbreviated Journal |
Electrochim Acta |
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Volume |
137 |
Issue |
|
Pages |
751-757 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The instability of the Solid Electrolyte Interphase (SEI) at the surface of nano-silicon electrodes has been recognized as one of the key issues to explain the rapid capacity fading of theses electrodes. In this paper, two distinct Si-based systems are studied by using Electrochemical Impedance Spectroscopy (EIS). First, several EIS spectra are recorded along the second electrochemical cycle. Although the active material, the electrode formulation, and the experimental conditions are different for the two systems, the same phenomena are observed in both cases: (i) the SEI deposit around 50 kHz, (ii) the charge transfer (CT) with a characteristic frequency varying from 300 to 1 500 Hz, and (iii) an inductive loop at ∼1 Hz which appears only when the potential of the electrode is below 0.35 V vs Li. As the latter has never been reported for Si-based electrodes, the second step of the work consists in understanding this phenomenon. Thanks to the results obtained in a set of several complementary experiments, we finally attribute the inductive loop to the constant formation/deposition of SEI products, in competition with the CT process. In addition, we propose a mechanism for this specific phenomenon and the equivalent circuit to fit the recorded EIS spectra. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000341462500095 |
Publication Date |
2014-06-19 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0013-4686; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.798 |
Times cited |
36 |
Open Access |
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Notes |
IWT (K. Van Havenbergh) |
Approved |
Most recent IF: 4.798; 2014 IF: 4.504 |
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Call Number |
UA @ lucian @ c:irua:117945 |
Serial |
3323 |
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Author |
Drozhzhin, O.A.; Vorotyntsev, M.A.; Maduar, S.R.; Khasanova, N.R.; Abakumov, A.M.; Antipov, E.V. |
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Title |
Li-ion diffusion in LixNb9PO25 |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Electrochimica acta |
Abbreviated Journal |
Electrochim Acta |
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Volume |
89 |
Issue |
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Pages |
262-269 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Wadsley-Roth phase LixNb6PO25 has been studied as a potential candidate for anode material of Li-ion batteries. Its crystal structure, which consists of ReO3-type blocks of NbO6 octahedra connected with PO4 tetrahedra, provides a good stability and performance during Li+ insertion/removal. Li-ion chemical diffusion coefficient (D-chem) in LixNb6PO25 was determined by means of potentiostatic intermittent titration technique and electrochemical impedance spectroscopy. Different data treatments (classical Warburg equation or the model of an electrode system with ohmic potential drop and/or slow kinetics of the interfacial Li+ ion transfer across the electrode/electrolyte interface) were used for calculation of D-chem of the Li ion inside this material; their applicability is discussed in the article. D-chem changes with the Li-ion doping degree, x, in LixNb3PO25 and has a sharp minimum near the two-phase region at appr. 1.7V vs. Li+/Li. These values of D-chem in LixNb9PO25 (similar to 10(-9)-10(-11) cm(2) s(-1)) were found to be in average noticeably higher than in the widely studied anode material, Li4Ti5O12. (C) 2012 Elsevier Ltd. All rights reserved. |
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Place of Publication |
London |
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Wos |
000315558200034 |
Publication Date |
2012-11-14 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0013-4686; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.798 |
Times cited |
11 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.798; 2013 IF: 4.086 |
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Call Number |
UA @ lucian @ c:irua:108312 |
Serial |
1816 |
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Author |
Drozhzhin, O.A.; Sumanov, V.D.; Karakulina, O.M.; Abakumov, A.M.; Hadermann, J.; Baranov, A.N.; Stevenson, K.J.; Antipov, E.V. |
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Title |
Switching between solid solution and two-phase regimes in the Li1-xFe1-yMnyPO4 cathode materials during lithium (de)insertion: combined PITT, in situ XRPD and electron diffraction tomography study |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Electrochimica acta |
Abbreviated Journal |
Electrochim Acta |
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Volume |
191 |
Issue |
191 |
Pages |
149-157 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The electrochemical properties and phase transformations during (de)insertion of Li+ in LiFePO4, LiFe0.9Mn0.1PO4 and LiFe0.5Mn0.5PO4 are studied by means of galvanostatic cycling, potential intermittent titration technique (PITT) and in situ X-ray powder diffraction. Different modes of switching between the solid solution and two-phase regimes are revealed which are influenced by the Mn content in Li1-xFe1-yMnyPO4. Additionally, an increase in electrochemical capacity with the Mn content is observed at high rates of galvanostatic cycling (10C, 20C), which is in good agreement with the numerically estimated contribution of the solid solution mechanism determined from PITT data. The observed asymmetric behavior of the phase transformations in Li1-xFe0.5Mn0.5PO4 during charge and discharge is discussed. For the first time, the crystal structures of electrochemically deintercalated Li1-xFe0.5Mn0.5PO4 with different Li content – LiFe0.5Mn0.5PO4, Li0.5Fe0.5Mn0.5PO4 and Li0.1Fe0.5Mn0.5PO4 – are refined, including the occupancy factors of the Li position. This refinement is done using electron diffraction tomography data. The crystallographic analyses of Li1-xFe0.5Mn0.5PO4 reveal that at x = 0.5 and 0.9 the structure retains the Pnma symmetry and the main motif of the pristine x = 0 structure without noticeable short range order effects. |
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Place of Publication |
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Wos |
000371143200018 |
Publication Date |
2016-01-13 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0013-4686 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.798 |
Times cited |
27 |
Open Access |
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Notes |
This work was supported by the Russian Foundation of Basic Research (grants No. 14-29-04064 and 14-03-31473), Skolkovo Institute of Science and Technology, and the Lomonosov Moscow State University Program of Development. J. Hadermann, O. M. Karakulina and A. M. Abakumov acknowl- edge support from FWO under grant G040116N. |
Approved |
Most recent IF: 4.798 |
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Call Number |
c:irua:131911 |
Serial |
4032 |
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Author |
Vanrenterghem, B.; Papaderakis, A.; Sotiropoulos, S.; Tsiplakides, D.; Balomenou, S.; Bals, S.; Breugelmans, T. |
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Title |
The reduction of benzylbromide at Ag-Ni deposits prepared by galvanic replacement |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Electrochimica acta |
Abbreviated Journal |
Electrochim Acta |
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Volume |
196 |
Issue |
196 |
Pages |
756-768 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
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Abstract |
A two-step procedure was applied to prepare bimetallic Ag-Ni glassy carbon supported catalysts (Ag-Ni/GC). First Ni layers were prepared by means of electrodeposition in an aqueous deaerated nickel chloride + nickel sulfamate + boric acid solution. Second, the partial replacement of Ni layers by Ag was achieved upon immersion of the latter in solutions containing silver nitrate. Three different pretreatment protocols were used after preparation of the Ag/Ni deposits; as prepared, cathodised in alkali and scanned in acid. After the pretreatment the surface was characterised by means of spectroscopy techniques (scanning electron microscopy and energy dispersive x-ray) and electrochemically in an alkali NaOH solution through cyclic voltammetry (CV). Afterwards the modified electrodes were tested for the reduction of benzylbromide in acetonitrile solutions by using CV and were found to show improved activity compared to bulk Ag electrode. The highest activity towards benzylbromide reduction was observed for pre-cathodised Ag-Ni electrodes. A final stage of the research focuses on the development of a practical Ag/Ni foam catalyst for the reduction of benzylbromide. Due to the high electrochemical active surface area of Ag/Ni foam, a higher conversion of benzyl bromide was obtained in comparison with bulk Ag. |
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Place of Publication |
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Wos |
000372877400083 |
Publication Date |
2016-03-02 |
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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 |
0013-4686 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.798 |
Times cited |
21 |
Open Access |
OpenAccess |
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Notes |
The quanta 250 FEG microscope of the Electron Microscopy for Material Science group at the University of Antwerp was funded by the Hercules foundation of the Flemish government. Sara Bals acknowledges financial support from European Research Council (ERC Starting Grant #335078-COLOURATOMS).; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); |
Approved |
Most recent IF: 4.798 |
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Call Number |
c:irua:132081 |
Serial |
4065 |
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Author |
Ryabova, A.S.; Napolskiy, F.S.; Poux, T.; Istomin, S.Y.; Bonnefont, A.; Antipin, D.M.; Baranchikov, A.Y.; Levin, E.E.; Abakumov, A.M.; Kéranguéven, G.; Antipov, E.V.; Tsirlina, G.A.; Savinova, E.R.; |
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Title |
Rationalizing the influence of the Mn(IV)/Mn(III) red-Ox transition on the electrocatalytic activity of manganese oxides in the oxygen reduction reaction |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Electrochimica acta |
Abbreviated Journal |
Electrochim Acta |
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Volume |
187 |
Issue |
187 |
Pages |
161-172 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Knowledge on the mechanisms of oxygen reduction reaction (ORR) and descriptors linking the catalytic activity to the structural and electronic properties of transition metal oxides enable rational design of more efficient catalysts. In this work ORR electrocatalysis was studied on a set of single and complex Mn (III) oxides with a rotating disc electrode method and cyclic voltammetry. We discovered an exponential increase of the specific electrocatalytic activity with the potential of the surface Mn(IV)/Mn(III) red-ox couple, suggesting the latter as a new descriptor for the ORR electrocatalysis. The observed dependence is rationalized using a simple mean-field kinetic model considering availability of the Mn( III) centers and adsorbate-adsorbate interactions. We demonstrate an unprecedented activity of Mn2O3, ca. 40 times exceeding that of MnOOH and correlate the catalytic activity of Mn oxides to their crystal structure. (C) 2015 Elsevier Ltd. All rights reserved. |
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Place of Publication |
London |
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Wos |
000367235600019 |
Publication Date |
2015-11-10 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0013-4686 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.798 |
Times cited |
51 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.798 |
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Call Number |
UA @ lucian @ c:irua:131096 |
Serial |
4237 |
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Author |
Deshmukh, S.; Sankaran, K.J.; Korneychuk, S.; Verbeeck, J.; Mclaughlin, J.; Haenen, K.; Roy, S.S. |
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Title |
Nanostructured nitrogen doped diamond for the detection of toxic metal ions |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Electrochimica acta |
Abbreviated Journal |
Electrochim Acta |
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Volume |
283 |
Issue |
283 |
Pages |
1871-1878 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
This work demonstrates the applicability of one-dimensional nitrogen-doped diamond nanorods (N-DNRs) for the simultaneous electrochemical (EC) detection of Pb2+ and Cd2+ ions in an electrolyte solution. Well separated voltammetric peaks are observed for Pb2+ and Cd2+ ions using N-DNRs as a working electrode in square wave anodic stripping voltammetry measurements. Moreover, the cyclic voltammetry response of N-DNR electrodes towards the Fe(CN)(6)(/4-)/Fe(CN)(6)(/3-) redox reaction is better as compared to undoped DNR electrodes. This enhancement of EC performance in N-DNR electrodes is accounted by the increased amount of sp(2) bonded nanographitic phases, enhancing the electrical conductivity at the grain boundary (GB) regions. These findings are supported by transmission electron microscopy and electron energy loss spectroscopy studies. Consequently, the GB defect induced N-DNRs exhibit better adsorption of metal ions, which makes such samples promising candidates for next generation EC sensing devices. (C) 2018 Elsevier Ltd. All rights reserved. |
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Place of Publication |
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Wos |
000441077900203 |
Publication Date |
2018-07-21 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0013-4686 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.798 |
Times cited |
22 |
Open Access |
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Notes |
Sujit Deshmukh indebted to Shiv Nadar University for providing Ph. D. scholarship. The FEI Quanta SEM and Qu-Ant-EM microscope used for the TEM experiments was partly funded by the Hercules fund from the Flemish Government. S. K. and J. V. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp. Kamatchi Jothiramalingam Sankaran is a Postdoctoral Fellow of the Research Foundation-Flanders (FWO). Prof. Ken Haenen acknowledges the Methusalem “NANO” network for financial support. |
Approved |
Most recent IF: 4.798 |
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Call Number |
UA @ admin @ c:irua:153072 |
Serial |
5366 |
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Author |
Pauwels, D.; Ching, H.Y.V.; Samanipour, M.; Neukermans, S.; Hereijgers, J.; Van Doorslaer, S.; De Wael, K.; Breugelmans, T. |
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Title |
Identifying intermediates in the reductive intramolecular cyclisation of allyl 2-bromobenzyl ether by an improved electron paramagnetic resonance spectroelectrochemical electrode design combined with density functional theory calculations |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Electrochimica acta |
Abbreviated Journal |
Electrochim Acta |
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Volume |
271 |
Issue |
271 |
Pages |
10-18 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Applied Electrochemistry & Catalysis (ELCAT) |
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Abstract |
The electrochemical activation of C-X bonds requires very negative electrode potentials. Lowering the overpotentials and increasing the catalytic activity requires intensive electrocatalytic research. A profound understanding of the reaction mechanism and the influence of the electrocatalyst allows optimal tuning of the electrocatalyst. This can be achieved by combining electrochemical techniques with electron paramagnetic resonance (EPR) spectroscopy. Although this was introduced in the mid-twentieth century, the application of this combined approach in electrocatalytic research is underexploited. Several reasons can be listed, such as the limited availability of EPR instrumentation and electrochemical devices for such in situ experiments. In this work, a simple and inexpensive construction adapted for in situ EPR electrocatalytic research is proposed. The proof of concept is provided by studying a model reaction, namely the reductive cyclisation of allyl 2-bromobenzyl ether which has interesting industrial applications. |
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Wos |
000430369800002 |
Publication Date |
2018-03-20 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
0013-4686 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.798 |
Times cited |
2 |
Open Access |
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Notes |
; The authors would like to thank Melissa Van Landeghem for her assistance with the experimental work and analysis of the data. Jonas Hereijgers greatly acknowledges the Research Foundation Flanders (FWO) for support through a Post-Doctoral grant (12Q8817N). H.Y. Vincent Ching gratefully acknowledges the University of Antwerp for a Post-Doctoral grant. Sabine Van Doorslaer and Tom Breugelmans acknowledge the FWO for research funding (research grant G093317N). ; |
Approved |
Most recent IF: 4.798 |
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Call Number |
UA @ admin @ c:irua:150463 |
Serial |
5652 |
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Author |
Lybaert, J.; Tehrani, K.A.; De Wael, K. |
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Title |
Mediated electrolysis of vicinal diols by neocuproine palladium catalysts |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Electrochimica acta |
Abbreviated Journal |
Electrochim Acta |
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Volume |
247 |
Issue |
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Pages |
685-691 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Organic synthesis (ORSY) |
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Abstract |
Synthetic electrochemistry agrees well with the principles of sustainable chemistry, therefore it is considered as a more environmentally friendly approach than some current synthetic methods Here, we present a new strategy for the chemoselective oxidation of vicinal diols, viz. the integration of neocuproine palladium catalysts and electrosynthesis. Benzoquinones are used as an effective mediator as the reduced species (hydroquinones) can be easily reoxidized at relative low potentials at an electrode surface. NeocuproinePd(OAc)2 efficiently works as a catalyst in an electrolysis reaction for vicinal diols at room temperature. This is a remarkable observation given the fact that aerobic oxidation reactions of alcohols typically need a more complex catalyst, i.e. [neocuproinePdOAc]2[OTf]2. In this article we describe the optimization of the electrolysis conditions for the neocuproinePd(OAc)2 catalyst to selectively oxidize diols. The suggested approach leads to conversion of alcohols with high yields and provides an interesting alternative to perform oxidation reactions under mild conditions by the aid of electrochemistry. |
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Wos |
000408582300072 |
Publication Date |
2017-07-08 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0013-4686 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.798 |
Times cited |
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Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 4.798 |
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Call Number |
UA @ admin @ c:irua:144118 |
Serial |
5706 |
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Author |
Gaetani, C.; Gheno, G.; Borroni, M.; De Wael, K.; Moretto, L.M.; Ugo, P. |
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Title |
Nanoelectrode ensemble immunosensing for the electrochemical identification of ovalbumin in works of art |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Electrochimica acta |
Abbreviated Journal |
Electrochim Acta |
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Volume |
312 |
Issue |
312 |
Pages |
72-79 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
This research is aimed to the study and application of an electrochemical immunosensor for the detection of ovalbumin (OVA) from egg white (or albumen) used as a binder in some works of art, such as some historical photographic prints and tempera paintings. The immunosensor takes advantage of the interesting biodetection capabilities offered by nanoelectrode ensembles (NEEs). The NEEs used to this aim are prepared by template deposition of gold nanoelectrodes within the pores of track-etched polycarbonate (PC) membranes. The affinity of polycarbonate for proteins is exploited to capture OVA from the aqueous extract obtained by incubation in phosphate buffer of a small sample fragment (<1 mg). The captured protein is reacted selectively with anti-OVA antibody, labelled with glucose oxidase (GOx). In the case of positive response, the addition of the GOx substrate (i.e. glucose) and a suitable redox mediator (a ferrocenyl derivative) reflects in the up rise of an electrocatalytic oxidation current, which depends on the OVA amount captured on the NEE, this amount correlating with OVA concentration in the extract. After optimization, the sensor is successfully applied to identify OVA in photographic prints dating back to the late 19th century, as well as in ancient tempera paintings from the 15th and 18th centuries. |
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Wos |
000468595500008 |
Publication Date |
2019-04-29 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0013-4686 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.798 |
Times cited |
2 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 4.798 |
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Call Number |
UA @ admin @ c:irua:159573 |
Serial |
5743 |
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Author |
Ryabova, A.S.; Istomin, S.Y.; Dosaev, K.A.; Bonnefont, A.; Hadermann, J.; Arkharova, N.A.; Orekhov, A.S.; Sena, R.P.; Saveleva, V.A.; Kerangueven, G.; Antipov, E., V.; Savinova, E.R.; Tsirlina, G.A. |
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Title |
Mn₂O₃ oxide with bixbyite structure for the electrochemical oxygen reduction reaction in alkaline media : highly active if properly manipulated |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Electrochimica Acta |
Abbreviated Journal |
Electrochim Acta |
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Volume |
367 |
Issue |
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Pages |
137378 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We consider compositional and structural factors which can affect the activity of bixbyite alpha-Mn2O3 towards the oxygen reduction reaction (ORR) and the stability of this oxide in alkaline solution. We compare electrochemistry of undoped, Fe and Al-doped alpha-Mn2O3 with bixbyite structure and braunite Mn7SiO12 having bixbyite-related crystal structure, using the rotating disk electrode (RDE), the rotating ring-disk electrode (RRDE), and cyclic voltammetry (CV) techniques. All manganese oxides under study are stable in the potential range between the ORR onset and ca. 0.7 V vs. Reversible Hydrogen Electrode (RHE). It is found that any changes introduced in the bixbyite structure and/or composition of alpha-Mn2O3 lead to an activity drop in both the oxygen reduction and hydrogen peroxide reactions in this potential interval. For the hydrogen peroxide reduction reaction these modifications also result in a change in the nature of the rate-determining step. The obtained results confirm that due to its unique crystalline structure undoped alpha-Mn2O3 is the most ORR active (among currently available) Mn oxide catalyst and favor the assumption of the key role of the (111) surface of alpha-Mn2O3 in the very high activity of this material towards the ORR. (C) 2020 Elsevier Ltd. All rights reserved. |
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Wos |
000607621500013 |
Publication Date |
2020-10-30 |
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Edition |
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ISSN |
0013-4686 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.798 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.798 |
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Call Number |
UA @ admin @ c:irua:176080 |
Serial |
6731 |
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| Permanent link to this record |
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Author |
Stefan, G.; Hosu, O.; De Wael, K.; Jesus Lobo-Castanon, M.; Cristea, C. |
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Title |
Aptamers in biomedicine : selection strategies and recent advances |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Electrochimica Acta |
Abbreviated Journal |
Electrochim Acta |
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Volume |
376 |
Issue |
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Pages |
137994 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Aptamers have come in the spotlight as bio-mimetic molecular recognition elements in the field of biomedicine due to various applications in diagnostics, drug delivery, therapeutics, and pharmaceutical analysis. Aptamers are composed of nucleic acid strands (DNA or RNA) that can specifically interact in a three-dimensional tailored design with the target molecule. The basic method to generate aptamers is Systematic Evolution of Ligands by Exponential Enrichment (SELEX). Recent technological advances in aptamer selection allow for faster and cheaper production of a new generation of high-affinity aptamers compared to the traditional SELEX, which can last up to several months. Rigorous characterization performed by multiple research groups endorsed several well-defined aptamer sequences. Binding affinity, nature of the biomolecular interactions and structural characterization are of paramount importance for aptamer screening and development of applications. However, remarkable challenges still need to be dealt with before the aptamers can make great contributions to the biomedical field. Poor specificity and sensitivity, questionable clinical use, low drug loading, in vivo stability and toxicity are only some of the identified challenges. This review accounts for the 30th celebration of the SELEX technology underlining the most important aptamers' achievements in the biomedical field within mostly the past five years. Aptamers' advantages over antibodies are discussed. Because of potential clinical translational utility, insights of remarkable developments in aptamer-based methods for diagnosis and monitoring of disease biomarkers and pharmaceuticals are discussed focusing on the recent studies (2015-2020). The current challenges and promising opportunities for aptamers for therapeutic and theragnostic purposes are also presented. (C) 2021 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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Wos |
000634761900003 |
Publication Date |
2021-02-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0013-4686 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.798 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 4.798 |
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Call Number |
UA @ admin @ c:irua:177677 |
Serial |
7491 |
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| Permanent link to this record |
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Author |
Schram, J.; Thiruvottriyur Shanmugam, S.; Sleegers, N.; Florea, A.; Samyn, N.; van Nuijs, A.L.N.; De Wael, K. |
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Title |
Local conversion of redox inactive molecules into redox active ones : a formaldehyde based strategy for the electrochemical detection of illicit drugs containing primary and secondary amines |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Electrochimica Acta |
Abbreviated Journal |
Electrochim Acta |
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Volume |
367 |
Issue |
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Pages |
137515 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre |
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Abstract |
Electrochemical techniques have evidenced to be highly suitable for the development of portable, rapid and accurate screening methods for the detection of illicit drugs in seized samples. However, the redox inactivity of primary amines, one of the most common functional groups of illicit drugs, masks voltammetric detection in aqueous environment at carbon electrodes and, therefore, leads to false negative results if only these primary amines are present in the structures. This work explores the feasibility of a derivatisation approach that introduces formaldehyde in the measuring conditions in order to achieve methylation, via an Eschweiler-Clarke mechanism, of illicit drugs containing primary and secondary amines, using amphetamine (AMP) and methamphetamine (MET) as model molecules. As a result the electrochemical fingerprint is enriched and thereby the detectability enhanced. A combination of liquid chromatography quadrupole time-of-flight mass spectrometry (LC-QTOFMS) and square-wave voltammetric (SWV) measurements is employed to identify reaction products and link them to the observed redox peaks. Although an alkaline environment (pH 12.0) proved to increase the reaction yield, a richer electrochemical fingerprint (EF) is obtained in neutral conditions (pH 7.0). Similarly, the addition of formate improved the reaction conversion but reduced the EF by eliminating a redox peak that is attributed to side products formed in the absence of formate. To illustrate the applicability, the derivatisation strategy is applied to several prominent illicit drugs containing primary and secondary amines to demonstrate its EF enriching capabilities. Finally, real street samples from forensic seizures are analysed. Overall, this strategy unlocks the detectability of the hitherto undetectable AMP and other drugs only containing primary amines, while strongly facilitating the identification of MET and analogues. These findings are not limited to illicit drugs, the insights can ultimately be applied to other target molecules containing similar functional groups. (C) 2020 Published by Elsevier Ltd. |
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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 |
000607620700010 |
Publication Date |
2020-11-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0013-4686 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.798 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 4.798 |
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Call Number |
UA @ admin @ c:irua:176083 |
Serial |
8177 |
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| Permanent link to this record |
