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Author | Ghosh, P.K.; Misko, V.R.; Marchesoni, F.; Nori, F. | ||||
Title | Self-propelled Janus particles in a ratchet : numerical simulations | Type | A1 Journal article | ||
Year | 2013 | Publication | Physical review letters | Abbreviated Journal | Phys Rev Lett |
Volume | 110 | Issue | 26 | Pages | 1-5 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Brownian transport of self-propelled overdamped microswimmers (like Janus particles) in a two-dimensional periodically compartmentalized channel is numerically investigated for different compartment geometries, boundary collisional dynamics, and particle rotational diffusion. The resulting time-correlated active Brownian motion is subject to rectification in the presence of spatial asymmetry. We prove that ratcheting of Janus particles can be orders of magnitude stronger than for ordinary thermal potential ratchets and thus experimentally accessible. In particular, autonomous pumping of a large mixture of passive particles can be induced by just adding a small fraction of Janus particles. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | 000320956500017 | Publication Date | 2013-06-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0031-9007;1079-7114; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.462 | Times cited | 143 | Open Access | |
Notes | ; We thank RICC for computational resources. P. K. G. acknowledges financial support from JSPS through fellowship No. P11502. V. R. M. acknowledges support from the Odysseus Program of the Flemish Government and FWO-VI. F. M. acknowledges partial support from the European Commission, Grant No. 256959 (NanoPower). F. N. was supported in part by the ARO, RIKEN iTHES Project, JSPS-RFBR Contract No. 12-02-92100, Grant-in-Aid for Scientific Research (S), MEXT Kakenhi on Quantum Cybernetics, and the JSPS via its FIRST program. ; | Approved | Most recent IF: 8.462; 2013 IF: 7.728 | ||
Call Number | UA @ lucian @ c:irua:109833 | Serial | 2979 | ||
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Author | Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M. | ||||
Title | Spatially dependent sensitivity of superconducting meanders as single-photon detectors | Type | A1 Journal article | ||
Year | 2012 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
Volume | 100 | Issue | 26 | Pages | 262603 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | The photo-response of a thin current-carrying superconducting stripe with a 90 degrees turn is studied within the time-dependent Ginzburg-Landau theory. We show that the photon acting near the inner corner (where the current density is maximal due to the current crowding [J. R. Clem and K. K. Berggren, Phys. Rev. B 84, 174510 (2011)]) triggers the nucleation of superconducting vortices at currents much smaller than the expected critical one, but does not bring the system to a higher resistive state and thus remains undetected. The transition to the resistive state occurs only when the photon hits the stripe away from the corner due to there uniform current distribution across the sample, and dissipation is due to the nucleation of a kinematic vortex-antivortex pair near the photon incidence. We propose strategies to account for this problem in the measurements. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4731627] | ||||
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Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000305831500057 | Publication Date | 2012-06-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-6951; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.411 | Times cited | 27 | Open Access | |
Notes | ; This work was supported by the Flemish Science Foundation (FWO-VI). G. R. B. acknowledges individual support from FWO-VI. ; | Approved | Most recent IF: 3.411; 2012 IF: 3.794 | ||
Call Number | UA @ lucian @ c:irua:100336 | Serial | 3066 | ||
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Author | Gál, Z.A.; Rutt, O.J.; Smura, C.F.; Overton, T.P.; Barrier, N.; Clarke, S.J.; Hadermann, J. | ||||
Title | Structural chemistry and metamagnetism of an homologous series of layered manganese oxysulfides | Type | A1 Journal article | ||
Year | 2006 | Publication | Journal of the American Chemical Society | Abbreviated Journal | J Am Chem Soc |
Volume | 128 | Issue | 26 | Pages | 8530-8540 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000238590000040 | Publication Date | 2006-06-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0002-7863;1520-5126; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 13.858 | Times cited | 39 | Open Access | |
Notes | Iap V-1 | Approved | Most recent IF: 13.858; 2006 IF: 7.696 | ||
Call Number | UA @ lucian @ c:irua:60030 | Serial | 3225 | ||
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Author | Gontard, L.C.; Jinschek, J.R.; Ou, H.; Verbeeck, J.; Dunin-Borkowski, R.E. | ||||
Title | Three-dimensional fabrication and characterisation of core-shell nano-columns using electron beam patterning of Ge-doped SiO2 | Type | A1 Journal article | ||
Year | 2012 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
Volume | 100 | Issue | 26 | Pages | 263113 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | A focused electron beam in a scanning transmission electron microscope (STEM) is used to create arrays of core-shell structures in a specimen of amorphous SiO2 doped with Ge. The same electron microscope is then used to measure the changes that occurred in the specimen in three dimensions using electron tomography. The results show that transformations in insulators that have been subjected to intense irradiation using charged particles can be studied directly in three dimensions. The fabricated structures include core-shell nano-columns, sputtered regions, voids, and clusters. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4731765] | ||||
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Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000305831500081 | Publication Date | 2012-06-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-6951; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.411 | Times cited | 11 | Open Access | |
Notes | Approved | Most recent IF: 3.411; 2012 IF: 3.794 | |||
Call Number | UA @ lucian @ c:irua:100337 | Serial | 3651 | ||
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Author | Scuracchio, P.; Dobry, A.; Costamagna, S.; Peeters, F.M. | ||||
Title | Tuning the polarized quantum phonon transmission in graphene nanoribbons | Type | A1 Journal article | ||
Year | 2015 | Publication | Nanotechnology | Abbreviated Journal | Nanotechnology |
Volume | 26 | Issue | 26 | Pages | 305401 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract | We propose systems that allow a tuning of the phonon transmission function T(omega) in graphene nanoribbons by using C-13 isotope barriers, antidot structures, and distinct boundary conditions. Phonon modes are obtained by an interatomic fifth-nearest neighbor force-constant model (5NNFCM) and T(omega) is calculated using the non-equilibrium Green's function formalism. We show that by imposing partial fixed boundary conditions it is possible to restrict contributions of the in-plane phonon modes to T(omega) at low energy. On the contrary, the transmission functions of out-of-plane phonon modes can be diminished by proper antidot or isotope arrangements. In particular, we show that a periodic array of them leads to sharp dips in the transmission function at certain frequencies omega(nu) which can be pre-defined as desired by controlling their relative distance and size. With this, we demonstrated that by adequate engineering it is possible to govern the magnitude of the ballistic transmission functions T(omega) in graphene nanoribbons. We discuss the implications of these results in the design of controlled thermal transport at the nanoscale as well as in the enhancement of thermo-electric features of graphene-based materials. | ||||
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Publisher | Place of Publication | Bristol | Editor | ||
Language | Wos | 000358675900010 | Publication Date | 2015-07-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0957-4484;1361-6528; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.44 | Times cited | 5 | Open Access | |
Notes | ; Discussions with C E Repetto, C R Stia and K H Michel are gratefully acknowledged. This work was partially supported by the Flemish Science Foundation (FWO-Vl) and PIP 11220090100392 of CONICET (Argentina). We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. ; | Approved | Most recent IF: 3.44; 2015 IF: 3.821 | ||
Call Number | c:irua:127186 | Serial | 3759 | ||
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Author | Poelma, R.H.; Fan, X.; Hu, Z.-Y.; Van Tendeloo, G.; van Zeijl, H.W.; Zhang, G.Q. | ||||
Title | Effects of Nanostructure and Coating on the Mechanics of Carbon Nanotube Arrays | Type | A1 Journal article | ||
Year | 2016 | Publication | Advanced functional materials | Abbreviated Journal | Adv Funct Mater |
Volume | 26 | Issue | 26 | Pages | 1233-1242 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Nanoscale materials are one of the few engineering materials that can be grown from the bottom up in a controlled manner. Here, the effects of nanostructure and nanoscale conformal coating on the mechanical behavior of vertically aligned carbon nanotube (CNT) arrays through experiments and simulation are systematically investigated. A modeling approach is developed and used to quantify the compressive strength and modulus of the CNT array under large deformation. The model accounts for the porous nanostructure, which contains multiple CNTs with random waviness, van der Waals interactions, fracture strain, contacts, and frictional forces. CNT array micropillars are grown and their porous nanostructure is controlled by the infi ltration and deposition of thin conformal coatings using chemical vapor deposition. Flat-punch nanoindentation experiments reveal signifi cant changes in material properties as a function of coating thickness. The simulations explain the experimental results and show the novel failure transition regime that changes from collective CNT buckling toward structural collapse due to fracture. The compressive strength and the elastic modulus increase exponentially as a function of the coating thickness and demonstrate a unique dependency on the CNT waviness. More interestingly, a design rule is identifi ed that predicts the optimum coating thickness for porous materials. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000371078100010 | Publication Date | 2016-01-04 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1616-301X | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 12.124 | Times cited | 17 | Open Access | |
Notes | The research leading to the TEM/HAADF-STEM results received funding from the EC Framework 7 Program ESTEEM2 (Reference 312483). We wish to acknowledge the support of the Else Kooi Laboratory for their assistance during the clean room processing.; esteem2_ta | Approved | Most recent IF: 12.124 | ||
Call Number | c:irua:130060 c:irua:130060 | Serial | 3996 | ||
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Author | Solmaz, A.; Huijben, M.; Koster, G.; Egoavil, R.; Gauquelin, N.; Van Tendeloo, G.; Verbeeck, J.; Noheda, B.; Rijnders, G. | ||||
Title | Domain Selectivity in BiFeO3Thin Films by Modified Substrate Termination | Type | A1 Journal article | ||
Year | 2016 | Publication | Advanced functional materials | Abbreviated Journal | Adv Funct Mater |
Volume | 26 | Issue | 26 | Pages | 2882-2889 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Ferroelectric domain formation is an essential feature in ferroelectric thin films. These domains and domain walls can be manipulated depending on the growth conditions. In rhombohedral BiFeO3 thin films, the ordering of the domains and the presence of specific types of domain walls play a crucial role in attaining unique ferroelectric and magnetic properties. In this study, controlled ordering of domains in BiFeO3 film is presented, as well as a controlled selectivity between two types of domain walls is presented, i.e., 71° and 109°, by modifying the substrate termination. The experiments on two different substrates, namely SrTiO3 and TbScO3, strongly indicate that the domain selectivity is determined by the growth kinetics of the initial BiFeO3 layers. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000377587800011 | Publication Date | 2016-03-21 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1616-301X | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 12.124 | Times cited | 34 | Open Access | |
Notes | The authors are grateful to Saeedeh Farokhipoor and Tamalika Banerjee for very useful discussions. This work was supported by the Netherlands Organization for Scientific Research NWO-FOM (under FOM-Nano project 10UNST04–2). The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. GOA project “Solarpaint” of the University of Antwerp. The electron microscopy part of the work was supported by funding from the European Research Council under the 7th Framework Program (FP7), ERC Grant No. 246791– COUNTATOMS. Funding from the European Union Council under the 7th Framework Program (FP7) Grant No. NMP3-LA-2010–246102 FOX is acknowledged. The Fund for Scientific Research Flanders is acknowledged for FWO Project No. G.0044.13N. | Approved | Most recent IF: 12.124 | ||
Call Number | c:irua:132641UA @ admin @ c:irua:132641 | Serial | 4053 | ||
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Author | Pahlke, P.; Lao, M.; Eisterer, M.; Meledin, A.; Van Tendeloo, G.; Hanisch, J.; Sieger, M.; Usoskin, A.; Stromer, J.; Holzapfel, B.; Schultz, L.; Huhne, R. | ||||
Title | Reduced Anisotropy and Enhanced In-Field Performance of Thick BaHfO3-Doped Films on ABAD-YSZ Templates | Type | A1 Journal article | ||
Year | 2016 | Publication | IEEE transactions on applied superconductivity | Abbreviated Journal | |
Volume | 26 | Issue | 26 | Pages | 1-4 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Pure and 6 mol% BaHfO3 (BHO) doped YBa2Cu3O7-δ (YBCO) films were prepared on CeO2-buffered ABAD-YSZ templates by pulsed laser deposition. The self-field Jc at 77 K reaches 1.1 MA/cm² in the doped sample compared to 2.5 MA/cm² in pure YBCO, at a film thickness of around 1 μm. Above a magnetic field of 2.2 T along B||c, Jc of the BHO-doped sample exceeds the Jc of the undoped film. The maximum pinning force density (FP,max) reaches a value of around 3 GN/cm² for both samples, but B(FP,max) increases from 1.4 T (pure) to a value of 2.9 T (BHO:YBCO). The Jc anisotropy curves of the doped sample show a large and broad peak at B||c and a strongly reduced anisotropy at all temperatures and fields compared to the pure sample. A complex defect structure with YBa2Cu4O8 intergrowths, Y2O3 precipitates and BHO nanocolumns with a fanshaped structure is observed by TEM investigations, which can explain the measured Jc(B,θ) behavior. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000376189700001 | Publication Date | 2016-03-14 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1051-8223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 14 | Open Access | ||
Notes | This work was supported by EUROTAPES, a collaborative project funded by the European Union’s Seventh Framework Program (FP7 / 2007 – 2013) under Grant Agreement n.280432. | Approved | Most recent IF: NA | ||
Call Number | c:irua:133779 | Serial | 4078 | ||
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Author | Sieger, M.; Pahlke, P.; Hanisch, J.; Sparing, M.; Bianchetti, M.; MacManus-Driscoll, J.; Lao, M.; Eisterer, M.; Meledin, A.; Van Tendeloo, G.; Nast, R.; Schultz, L.; Holzapfel, B.; Huhne, R. | ||||
Title | Ba2Y(Nb/Ta)O6–Doped YBCO Films on Biaxially Textured Ni–5at.% W Substrates | Type | A1 Journal article | ||
Year | 2016 | Publication | IEEE transactions on applied superconductivity | Abbreviated Journal | |
Volume | 26 | Issue | 26 | Pages | 1-5 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The incorporation of nanoscaled pinning centers in superconducting YBa2Cu3O7-d (YBCO) films is one of the core topics to enhance the critical current density Jc(B, Q) of coated conductors. The mixed double-perovskite Ba2Y(Nb/Ta)O6 (BYNTO) can be grown in nanosized columns parallel the YBCO c-axis and in step-like patterns, making it customizable to meet specific working conditions (T, B, Q). We compare a 1.6 μm thick film of pure YBCO and a similar film with additional 5 mol% of BYNTO, grown by pulsed laser deposition with a growth rate of 1.6 nm/s on buffered biaxially textured Ni-5at.% W tape. Our doped sample shows nanosized BYNTO columns parallel cYBCO and plates in the ab-plane containing Y, Nb and Ta. An improved homogeneity of the critical current density Jc over the sample was evaluated from trapped field profiles measured with a scanning Hall probe microscope. The mean Jc in rolling direction of the tape is 1.8 MA/cm² (77 K, self-field) and doubles the value of the undoped sample. Angular dependent measurements of the critical current density, Jc(Q), show a decreased anisotropy of the doped film for various magnetic fields at 77 K as well as 64 K. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000375581500001 | Publication Date | 2016-03-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1051-8223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 6 | Open Access | ||
Notes | This work was supported by EUROTAPES, a collaborative project funded by the European Commission’s Seventh Framework Program (FP7 / 2007 – 2013) under Grant Agreement n.280432. | Approved | Most recent IF: NA | ||
Call Number | c:irua:133781 | Serial | 4079 | ||
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Author | Liao, Z; , Green, R.J; Gauquelin, N; Macke, S.; Li, L.; Gonnissen, J; Sutarto, R.; Houwman, E.P.; Zhong, Z.; Van Aert, S.; Verbeeck, J.; Sawatzky, G.A.; Huijben, M.; Koster, G.; Rijnders, G. | ||||
Title | Long-Range Domain Structure and Symmetry Engineering by Interfacial Oxygen Octahedral Coupling at Heterostructure Interface | Type | A1 Journal article | ||
Year | 2016 | Publication | Advanced functional materials | Abbreviated Journal | Adv Funct Mater |
Volume | 26 | Issue | 26 | Pages | 6627-6634 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | In epitaxial thin film systems, the crystal structure and its symmetry deviate from the bulk counterpart due to various mechanisms such as epitaxial strain and interfacial structural coupling, which is accompanyed by a change in their properties. In perovskite materials, the crystal symmetry can be described by rotations of sixfold coordinated transition metal oxygen octahedra, which are found to be altered at interfaces. Here, it is unraveled how the local oxygen octahedral coupling at perovskite heterostructural interfaces strongly influences the domain structure and symmetry of the epitaxial films resulting in design rules to induce various structures in thin films using carefully selected combinations of substrate/buffer/film. Very interestingly it is discovered that these combinations lead to structure changes throughout the full thickness of the film. The results provide a deep insight into understanding the origin of induced structures in a perovskite heterostructure and an intelligent route to achieve unique functional properties. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000384809800010 | Publication Date | 2016-06-23 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1616-301x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 12.124 | Times cited | 23 | Open Access | |
Notes | We thank B. Keimer for valuable discussions. M.H., G.K. and G.R. acknowledge funding from DESCO program of the Dutch Foundation for Fundamental Research on Matter (FOM) with financial support from the Netherlands Organization for Scientific Research (NWO). This work was funded by the European Union Council under the 7th Framework Program (FP7) grant nr NMP3-LA-2010-246102 IFOX. J.V. and S.V.A. acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0044.13N, G.0374.13N, G.0368.15N, G.0369.15N). The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. N.G. acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant 278510 VORTEX. N.G., J.G., S.V.A., J.V. acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative (Reference No. 312483-ESTEEM2). The Canadian work was supported by NSERC and the Max Planck-UBC Centre for Quantum Materials. Some experiments for this work were performed at the Canadian Light Source, which is funded by the Canada Foundation for Innovation, NSERC, the National Research Council of Canada, the Canadian Institutes of Health Research, the Government of Saskatchewan, Western Economic Diversification Canada, and the University of Saskatchewan.; esteem2jra2; esteem2jra3; ECASJO_; | Approved | Most recent IF: 12.124 | ||
Call Number | EMAT @ emat @ c:irua:144663UA @ admin @ c:irua:144663 | Serial | 4106 | ||
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Author | Gonnissen, J.; Batuk, D.; Nataf, G.F.; Jones, L.; Abakumov, A.M.; Van Aert, S.; Schryvers, D.; Salje, E.K.H. | ||||
Title | Direct Observation of Ferroelectric Domain Walls in LiNbO3: Wall-Meanders, Kinks, and Local Electric Charges | Type | A1 Journal article | ||
Year | 2016 | Publication | Advanced functional materials | Abbreviated Journal | Adv Funct Mater |
Volume | 26 | Issue | 26 | Pages | 7599-7604 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Direct observations of the ferroelectric domain boundaries in LiNbO3 are performed using high-resolution high-angle annular dark field scanning transmission electron microscopy imaging, revealing a very narrow width of the domain wall between the 180° domains. The domain walls demonstrate local side-way meandering, which results in inclinations even when the overall wall orientation follows the ferroelectric polarization. These local meanders contain kinks with “head-to-head” and “tail-to-tail” dipolar configurations and are therefore locally charged. The charged meanders are confined to a few cation layers along the polarization direction and are separated by longer stretches of straight domain walls. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000388166700006 | Publication Date | 2016-09-16 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 1616-301X | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 12.124 | Times cited | 23 | Open Access | |
Notes | J.G. acknowledges the support from the Research Foundation Flanders (FWO, Belgium) through various project fundings (G.0368.15N, G.0369.15N, and G.0374.13N), as well as the financial support from the European Union Seventh Framework Program (FP7/2007–2013) under Grant agreement no. 312483 (ESTEEM2). The authors thank J. Hadermann for useful suggestions on the interpretation of the HAADFSTEM images. E.K.H.S. thanks the EPSRC (EP/K009702/1) and the Leverhulme Trust (EM-2016-004) for support. G.F.N. thanks the National Research Fund, Luxembourg (FNR/P12/4853155/Kreisel) for support.; esteem2_jra2 | Approved | Most recent IF: 12.124 | ||
Call Number | c:irua:135336 c:irua:135336 | Serial | 4129 | ||
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Author | Sun, S.R.; Kolev, S.; Wang, H.X.; Bogaerts, A. | ||||
Title | Coupled gas flow-plasma model for a gliding arc: investigations of the back-breakdown phenomenon and its effect on the gliding arc characteristics | Type | A1 Journal article | ||
Year | 2017 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 26 | Issue | 26 | Pages | 015003 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | We present a 3D and 2D Cartesian quasi-neutral plasma model for a low current argon gliding arc discharge, including strong interactions between the gas flow and arc plasma column. The 3D model is applied only for a short time of 0.2 ms due to its huge computational cost. It mainly serves to verify the reliability of the 2D model. As the results in 2D compare well with those in 3D, they can be used for a better understanding of the gliding arc basic characteristics. More specifically, we investigate the back-breakdown phenomenon induced by an artificially controlled plasma channel, and we discuss its effect on the gliding arc characteristics. The back-breakdown phenomenon, or backward-jump motion of the arc, as observed in the experiments, results in a drop of the gas temperature, as well as in a delay of the arc velocity with respect to the gas flow velocity, allowing more gas to pass through the arc, and thus increasing the efficiency of the gliding arc for gas treatment applications. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000419253000001 | Publication Date | 2016-11-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1361-6595 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited | 9 | Open Access | OpenAccess |
Notes | This work is financially supported by the Methusalem financing, by the Fund for Scientific Research Flanders (FWO) and by the IAP/7 (Inter-university Attraction Pole) program ‘Physical Chemistry of Plasma-Surface Interactions’ from the Belgian Federal Office for Science Policy (BELSPO). The work was carried out in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen. This work was also supported by the National Natural Science Foundation of China (Grant Nos. 11275021, 11575019). S R Sun thanks the financial support from the China Scholarship Council. | Approved | Most recent IF: 3.302 | ||
Call Number | PLASMANT @ plasmant @ c:irua:138993 | Serial | 4337 | ||
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Author | Trenchev, G.; Kolev, S.; Kiss’ovski, Z. | ||||
Title | Modeling a Langmuir probe in atmospheric pressure plasma at different EEDFs | Type | A1 Journal article | ||
Year | 2017 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 26 | Issue | 26 | Pages | 055013 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | In this study, we present a computational model of a cylindrical electric probe in atmospheric pressure argon plasma. The plasma properties are varied in terms of density and electron temperature. Furthermore, results for plasmas with Maxwellian and non-Maxwellian electron energy distribution functions are also obtained and compared. The model is based on the fluid description of plasma within the COMSOL software package. The results for the ion saturation current are compared and show good agreement with existing analytical Langmuir probe theories. A strong dependence between the ion saturation current and electron transport properties was observed, and attributed to the effects of ambipolar diffusion. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000398327900002 | Publication Date | 2017-04-03 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1361-6595 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited | 4 | Open Access | OpenAccess |
Notes | Approved | Most recent IF: 3.302 | |||
Call Number | PLASMANT @ plasmant @ c:irua:141914 | Serial | 4535 | ||
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Author | Tennyson, J.; Rahimi, S.; Hill, C.; Tse, L.; Vibhakar, A.; Akello-Egwel, D.; Brown, D.B.; Dzarasova, A.; Hamilton, J.R.; Jaksch, D.; Mohr, S.; Wren-Little, K.; Bruckmeier, J.; Agarwal, A.; Bartschat, K.; Bogaerts, A.; Booth, J.-P.; Goeckner, M.J.; Hassouni, K.; Itikawa, Y.; Braams, B.J.; Krishnakumar, E.; Laricchiuta, A.; Mason, N.J.; Pandey, S.; Petrovic, Z.L.; Pu, Y.-K.; Ranjan, A.; Rauf, S.; Schulze, J.; Turner, M.M.; Ventzek, P.; Whitehead, J.C.; Yoon, J.-S. | ||||
Title | QDB: a new database of plasma chemistries and reactions | Type | A1 Journal article | ||
Year | 2017 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 26 | Issue | 26 | Pages | 055014 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | One of the most challenging and recurring problems when modeling plasmas is the lack of data on the key atomic and molecular reactions that drive plasma processes. Even when there are data for some reactions, complete and validated datasets of chemistries are rarely available. This hinders research on plasma processes and curbs development of industrial applications. The QDB project aims to address this problem by providing a platform for provision, exchange, and validation of chemistry datasets. A new data model developed for QDB is presented. QDB collates published data on both electron scattering and heavy-particle reactions. These data are formed into reaction sets, which are then validated against experimental data where possible. This process produces both complete chemistry sets and identifies key reactions that are currently unreported in the literature. Gaps in the datasets can be filled using established theoretical methods. Initial validated chemistry sets for SF6/CF4/O2 and SF6/CF4/N2/H2 are presented as examples. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000398394500001 | Publication Date | 2017-04-04 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1361-6595 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited | 18 | Open Access | OpenAccess |
Notes | Approved | Most recent IF: 3.302 | |||
Call Number | PLASMANT @ plasmant @ c:irua:142206 | Serial | 4549 | ||
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Author | Sun, S.R.; Kolev, S.; Wang, H.X.; Bogaerts, A. | ||||
Title | Investigations of discharge and post-discharge in a gliding arc: a 3D computational study | Type | A1 Journal article | ||
Year | 2017 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 26 | Issue | 26 | Pages | 055017 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | In this study we quantitatively investigate for the first time the plasma characteristics of an argon gliding arc with a 3D model. The model is validated by comparison with available experimental data from literature and a reasonable agreement is obtained for the calculated gas temperature and electron density. A complete arc cycle is modeled from initial ignition to arc decay. We investigate how the plasma characteristics, i.e., the electron temperature, gas temperature, reduced electric field, and the densities of electrons, Ar+ and Ar2+ ions and Ar(4s) excited states, vary over one complete arc cycle, including their behavior in the discharge and post-discharge. These plasma characteristics exhibit a different evolution over one arc cycle, indicating that either the active discharge stage or the post-discharge stage can be beneficial for certain applications. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000399278100002 | Publication Date | 2017-04-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1361-6595 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited | 11 | Open Access | OpenAccess |
Notes | This work is financially supported by the Methusalem financing, by the Fund for Scientific Research Flanders (FWO) and by the IAP/7 (Inter-university Attraction Pole) program ‘Physical Chemistry of Plasma-Surface Interactions’ from the Belgian Federal Office for Science Policy (BELSPO). The work was carried out in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen. This work was also supported by the National Natural Science Foundation of China (Grant Nos. 11275021, 11575019). SR Sun thanks the financial support from the China Scholarship Council (CSC). | Approved | Most recent IF: 3.302 | ||
Call Number | PLASMANT @ plasmant @ c:irua:142204 | Serial | 4550 | ||
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Author | Zhang, Y.; Wang, H.-yu; Zhang, Y.-ru; Bogaerts, A. | ||||
Title | Formation of microdischarges inside a mesoporous catalyst in dielectric barrier discharge plasmas | Type | A1 Journal article | ||
Year | 2017 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 26 | Issue | 26 | Pages | 054002 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The formation process of a microdischarge (MD) in both μm- and nm-sized catalyst pores is simulated by a two-dimensional particle-in-cell/Monte Carlo collision model. A parallel-plate dielectric barrier discharge configuration in filamentary mode is considered in ambient air. The discharge is powered by a high voltage pulse. Our calculations reveal that a streamer can penetrate into the surface features of a porous catalyst and MDs can be formed inside both μm- and nm-sized pores, yielding ionization inside the pore. For the μm-sized pores, the ionization mainly occurs inside the pore, while for the nm-sized pores the ionization is strongest near and inside the pore. Thus, enhanced discharges near and inside the mesoporous catalyst are observed. Indeed, the maximum values of the electric field, ionization rate and electron density occur near and inside the pore. The maximum electric field and electron density inside the pore first increase when the pore size rises from 4 nm to 10 nm, and then they decrease for the 100 nm pore, due to a more pronounced surface discharge for the smaller pores. However, the ionization rate is highest for the 100 nm pore due to the largest effective ionization region. |
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000399277700001 | Publication Date | 2017-04-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1361-6595 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited | 15 | Open Access | OpenAccess |
Notes | This work was supported by the NSFC (11405067, 11275007, 11375163). Y Zhang gratefully acknowledges the Belgian Federal Science Policy Office for financial support. The authors are very grateful to Wei Jiang for the useful discussions on the photo-ionization model and the particle-incell/ Monte-Carlo model. | Approved | Most recent IF: 3.302 | ||
Call Number | PLASMANT @ plasmant @ c:irua:142806 | Serial | 4566 | ||
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Author | Bogaerts, A.; Berthelot, A.; Heijkers, S.; Kolev, S.; Snoeckx, R.; Sun, S.; Trenchev, G.; Van Laer, K.; Wang, W. | ||||
Title | CO2conversion by plasma technology: insights from modeling the plasma chemistry and plasma reactor design | Type | A1 Journal article | ||
Year | 2017 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 26 | Issue | 26 | Pages | 063001 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | In recent years there has been growing interest in the use of plasma technology for CO2 conversion. To improve this application, a good insight into the underlying mechanisms is of great importance. This can be obtained from modeling the detailed plasma chemistry in order to understand the chemical reaction pathways leading to CO2 conversion (either in pure form or mixed with another gas). Moreover, in practice, several plasma reactor types are being investigated for CO2 conversion, so in addition it is essential to be able to model these reactor geometries so that their design can be improved, and the most energy efficient CO2 conversion can be achieved. Modeling the detailed plasma chemistry of CO2 conversion in complex reactors is, however, very time-consuming. This problem can be overcome by using a combination of two different types of model: 0D chemical reaction kinetics models are very suitable for describing the detailed plasma chemistry, while the characteristic features of different reactor geometries can be studied by 2D or 3D fluid models. In the first instance the latter can be developed in argon or helium with a simple chemistry to limit the calculation time; however, the ultimate aim is to implement the more complex CO2 chemistry in these models. In the present paper, examples will be given of both the 0D plasma chemistry models and the 2D and 3D fluid models for the most common plasma reactors used for CO2 conversion in order to emphasize the complementarity of both approaches. Furthermore, based on the modeling insights, the paper discusses the possibilities and limitations of plasma-based CO2 conversion in different types of plasma reactors, as well as what is needed to make further progress in this field. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000412173700001 | Publication Date | 2017-05-15 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1361-6595 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited | 26 | Open Access | OpenAccess |
Notes | We would like to thank T Silva, N Britoun, Th Godfroid and R Snyders (Université de Mons and Materia Nova Research Center), A Ozkan, Th Dufour and F Reniers (Université Libre de Bruxelles) andK Van Wesenbeeck and S Lenaerts (University of Antwerp) for providingexperimental data to validate our models. Furthermore, we acknowledge the financial support from the IAP/7 (Inter-university Attraction Pole) program ‘PSI-Physical Chemistry of Plasma-Surface Interactions’ by the Belgian Federal Office for Science Policy (BELSPO), the Francqui Research Foundation, the European Union’s Seventh Framework Programme for research, technological development and demonstration under grant agreement no. 606889, the European Marie Skłodowska- Curie Individual Fellowship project ‘GlidArc’ within Horizon2020, the Methusalem financing of the University of Antwerp, the Fund for Scientific Research, Flanders (FWO; grant nos. G.0383.16N and 11U5316N) and the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Flanders). The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. | Approved | Most recent IF: 3.302 | ||
Call Number | PLASMANT @ plasmant @ c:irua:144429 | Serial | 4614 | ||
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Author | Van Laer, K.; Bogaerts, A. | ||||
Title | How bead size and dielectric constant affect the plasma behaviour in a packed bed plasma reactor: a modelling study | Type | A1 Journal article | ||
Year | 2017 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 26 | Issue | 26 | Pages | 085007 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Packed bed plasma reactors (PBPRs) are gaining increasing interest for use in environmental applications, such as greenhouse gas conversion into value-added chemicals or renewable fuels and volatile pollutant removal (e.g. NOx, VOC, K), as they enhance the conversion and energy efficiency of the process compared to a non-packed reactor. However, the plasma behaviour in a PBPR is not well understood. In this paper we demonstrate, by means of a fluid model, that the discharge behaviour changes considerably when changing the size of the packing beads and their dielectric constant, while keeping the interelectrode spacing constant. At low dielectric constant, the plasma is spread out over the full discharge gap, showing significant density in the voids as well as in the connecting void channels. The electric current profile shows a strong peak during each half cycle. When the dielectric constant increases, the plasma becomes localised in the voids, with a current profile consisting of many smaller peaks during each half cycle. For large bead sizes, the shift from full gap discharge to localised discharges takes place at a higher dielectric constant than for smaller beads. Furthermore, smaller beads or beads with a lower dielectric constant require a higher breakdown voltage to cause plasma formation. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000406503600003 | Publication Date | 2017-07-27 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1361-6595 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited | 22 | Open Access | OpenAccess |
Notes | K Van Laer is indebted to the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Flanders) for financial support. This research was carried out in the framework of the network on Physical Chemistry of Plasma-Surface Interactions – Interuniversity Attraction Poles, phase VII (http://psi-iap7.ulb.ac.be/), and supported by the Belgian Science Policy Office (BELSPO). The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. | Approved | Most recent IF: 3.302 | ||
Call Number | PLASMANT @ plasmant @ c:irua:144796 | Serial | 4635 | ||
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Author | Woo, S.Y.; Gauquelin, N.; Nguyen, H.P.T.; Mi, Z.; Botton, G.A. | ||||
Title | Interplay of strain and indium incorporation in InGaN/GaN dot-in-a-wire nanostructures by scanning transmission electron microscopy | Type | A1 Journal article | ||
Year | 2015 | Publication | Nanotechnology | Abbreviated Journal | Nanotechnology |
Volume | 26 | Issue | 26 | Pages | 344002 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | The interplay between strain and composition is at the basis of heterostructure design to engineer new properties. The influence of the strain distribution on the incorporation of indium during the formation of multiple InGaN/GaN quantum dots (QDs) in nanowire (NW) heterostructures has been investigated, using the combined techniques of geometric phase analysis of atomic-resolution images and quantitative elemental mapping from core-loss electron energy-loss spectroscopy within scanning transmission electron microscopy. The variation in In-content between successive QDs within individual NWs shows a dependence on the magnitude of compressive strain along the growth direction within the underlying GaN barrier layer, which affects the incorporation of In-atoms to minimize the local effective strain energy. Observations suggest that the interfacial misfit between InGaN/GaN within the embedded QDs is mitigated by strain partitioning into both materials, and results in normal stresses inflicted by the presence of the surrounding GaN shell. These experimental measurements are linked to the local piezoelectric polarization fields for individual QDs, and are discussed in terms of the photoluminescence from an ensemble of NWs. | ||||
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Publisher | Place of Publication | Bristol | Editor | ||
Language | Wos | 000359079500003 | Publication Date | 2015-08-03 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0957-4484 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.44 | Times cited | 19 | Open Access | |
Notes | Approved | Most recent IF: 3.44; 2015 IF: 3.821 | |||
Call Number | UA @ lucian @ c:irua:136278 | Serial | 4504 | ||
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Author | Mayer, J.A.; Offermans, T.; Chrapa, M.; Pfannmöller, M.; Bals, S.; Ferrini, R.; Nisato, G. | ||||
Title | Optical enhancement of a printed organic tandem solar cell using diffractive nanostructures | Type | A1 Journal article | ||
Year | 2018 | Publication | Optics express | Abbreviated Journal | Opt Express |
Volume | 26 | Issue | 26 | Pages | A240 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Solution processable organic tandem solar cells offer a promising approach to achieve cost-effective, lightweight and flexible photovoltaics. In order to further enhance the efficiency of optimized organic tandem cells, diffractive light-management nanostructures were designed for an optimal redistribution of the light as function of both wavelength and propagation angles in both sub-cells. As the fabrication of these optical structures is compatible with roll-to-roll production techniques such as hot-embossing or UV NIL imprinting, they present an optimal cost-effective solution for printed photovoltaics. Tandem cells with power conversion efficiencies of 8-10% were fabricated in the ambient atmosphere by doctor blade coating, selected to approximate the conditions during roll-to-roll manufacturing. Application of the light management structure onto an 8.7% efficient encapsulated tandem cell boosted the conversion efficiency of the cell to 9.5%. (C) 2018 Optical Society of America under the terms of the OSA Open Access Publishing Agreement | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000427900400003 | Publication Date | 2018-02-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1094-4087 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.307 | Times cited | 9 | Open Access | OpenAccess |
Notes | ; FP7 European collaborative project SUNFLOWER (FP7-ICT-2011-7, grant number 287594); German Federal Ministry of Education and Research (BMBF) (03xEK3504, project TAURUS); FP7 European project ESTEEM2 (grant number 312483); HEiKA centre FunTECH-3D. ; | Approved | Most recent IF: 3.307 | ||
Call Number | UA @ lucian @ c:irua:150839UA @ admin @ c:irua:150839 | Serial | 4975 | ||
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Author | Gonzalez-Garcia, A.; Lopez-Perez, W.; Gonzalez-Hernandez, R.; Rodriguez, J.A.; Milošević, M.V.; Peeters, F.M. | ||||
Title | Tunable 2D-gallium arsenide and graphene bandgaps in a graphene/GaAs heterostructure : an ab initio study | Type | A1 Journal article | ||
Year | 2019 | Publication | Journal of physics : condensed matter | Abbreviated Journal | J Phys-Condens Mat |
Volume | 31 | Issue | 26 | Pages | 265502 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | The bandgap behavior of 2D-GaAs and graphene have been investigated with van der Waals heterostructured into a yet unexplored graphene/GaAs bilayer, under both uniaxial stress along c axis and different planar strain distributions. The 2D-GaAs bandgap nature changes from Gamma-K indirect in isolated monolayer to Gamma-Gamma direct in graphene/GaAs bilayer. In the latter, graphene exhibits a bandgap of 5 meV. The uniaxial stress strongly affects the graphene electronic bandgap, while symmetric in-plane strain does not open the bandgap in graphene. Nevertheless, it induces remarkable changes on the GaAs bandgap-width around the Fermi level. However, when applying asymmetric in-plane strain to graphene/GaAs, the graphene sublattice symmetry is broken, and the graphene bandgap is open at the Fermi level to a maximum width of 814 meV. This value is much higher than that reported for just graphene under asymmetric strain. The Gamma-Gamma direct bandgap of GaAs remains unchanged in graphene/ GaAs under different types of applied strain. The analyses of phonon dispersion and the elastic constants yield the dynamical and mechanical stability of the graphene/GaAs system, respectively. The calculated mechanical properties for bilayer heterostructure are better than those of their constituent monolayers. This finding, together with the tunable graphene bandgap not only by the strength but also by the direction of the strain, enhance the potential for strain engineering of ultrathin group-III-V electronic devices hybridized by graphene. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000465887100001 | Publication Date | 2019-03-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0953-8984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.649 | Times cited | 10 | Open Access | |
Notes | ; This work has been carried out with the financial support of Universidad del Norte and Colciencias (Administrative Department of Science, Technology and Research of Colombia) under Convocatoria 712-Convocatoria para proyectos de investigacion en Ciencias Basicas, ano 2015, Cod: 121571250192, Contrato 110-216; and the partial support of DGAPA-UNAM project IN114817-3. The authors gratefully acknowledge the support from the High Performance Computing core facility CalcUA and the TOPBOF project at the University of Antwerp, Belgium; DGTIC-UNAM under project LANCAD-UNAM-DGTIC-150, and the computing time granted on the supercomputer Mogon at Johannes Gutenberg University Mainz (hpc.uni-mainz.de). ; | Approved | Most recent IF: 2.649 | ||
Call Number | UA @ admin @ c:irua:160216 | Serial | 5236 | ||
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Author | Kardel, F.; Wuyts, K.; De Wael, K.; Samson, R. | ||||
Title | Biomonitoring of atmospheric particulate pollution via chemical composition and magnetic properties of roadside tree leaves | Type | A1 Journal article | ||
Year | 2018 | Publication | Environmental Science and Pollution Research | Abbreviated Journal | Environ Sci Pollut R |
Volume | 25 | Issue | 26 | Pages | 25994-26004 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | Particulate matter (PM) is a main atmospheric pollution which threats human health and well-being. In this research, we chemically and magnetically analysed roadside tree leaves, collected from three tree species in two main roads (from two different cities) and a reference area, for 28 elements and the saturation isothermal remanent magnetisation. Comparison of unwashed and washed leaves revealed that deposited particles on the leaf surface contain various elements including Al, Ca, Fe, Mg, Mn, Na, Si, Ti, Ba, Co, Cr, Cu, Ni, Rb, V, Zn and Zr. Moreover, there was no significant difference between washed/unwashed leaves in Cl, K, P, S, As, Cd, Cs, Pb, Sn and Sr concentrations, which indicates tree leaves may not be a suitable biomonitor for these elements. Our results showed that site and tree species are important factors which affect atmospheric elements deposition. Among the three considered tree species, Chamaecyparis lawsoniana showed the highest potential for atmospheric particle accumulation. The PCA results revealed that Al, Fe, Ti, Co, Cr, Cu, Ni, Rb, Si, V, Zn and Zr indicated emissions from road traffic activities and soil dust; Ca, Mg and Na from sea salts and Mn and Sb from industrial activity. The biplot results showed that the site effect was much stronger than the species effect for all elements and saturation isothermal remanent magnetisation (SIRM) values. Moreover, elements from traffic, industrial activity and soil dust are significantly correlated with leaf SIRM indicating that leaf SIRM can be a suitable bioindicator of exposure to traffic-derived particles and soil dust, and not from sea salts. It is concluded that chemical composition and SIRM of urban tree leaves can serve as a good indicator of atmospheric PM pollution in Iran and anywhere else where the studied trees grow. | ||||
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Language | Wos | 000443329100034 | Publication Date | 2018-07-02 | |
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ISSN | 0944-1344; 1614-7499 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.741 | Times cited | 6 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 2.741 | ||
Call Number | UA @ admin @ c:irua:153669 | Serial | 5489 | ||
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Author | Gonzalez, V.; Cotte, M.; Vanmeert, F.; de Nolf, W.; Janssens, K. | ||||
Title | X-ray diffraction mapping for cultural heritage science : a review of experimental configurations and applications | Type | A1 Journal article | ||
Year | 2019 | Publication | Chemistry: a European journal | Abbreviated Journal | Chem-Eur J |
Volume | 26 | Issue | 26 | Pages | 1703-1719 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | X-ray diffraction (XRD) mapping consists in the acquisition of XRD patterns at each pixel (or voxel) of an area (or volume). The spatial resolution ranges from the micrometer (mu XRD) to the millimeter (MA-XRD) scale, making the technique relevant for tiny samples up to large objects. Although XRD is primarily used for the identification of different materials in (complex) mixtures, additional information regarding the crystallite size, their orientation, and their in-depth distribution can also be obtained. Through mapping, these different types of information can be located on the studied sample/object. Cultural heritage objects are usually highly heterogeneous, and contain both original and later (degradation, conservation) materials. Their structural characterization is required both to determine ancient manufacturing processes and to evaluate their conservation state. Together with other mapping techniques, XRD mapping is increasingly used for these purposes. Here, the authors review applications as well as the various configurations for XRD mapping (synchrotron/laboratory X-ray source, poly-/monochromatic beam, micro/macro beam, 2D/3D, transmission/reflection mode). On-going hardware and software developments will further establish the technique as a key tool in heritage science. | ||||
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Language | Wos | 000501927300001 | Publication Date | 2019-10-14 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0947-6539 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 5.317 | Times cited | Open Access | ||
Notes | ; M.C. thanks the KNAW for supporting her stays in the Netherlands through the Descartes Huygens price. V.G. and M.C. thank the Center of Research and Restoration of French Museums (C2RMF), Paris and in particular Myriam Eveno, for the collaboration on Rembrandt's impastos (Figure 7). M.C. is indebted to the Afghan government, NRICPT and in particular, Yoko Taniguchi for providing samples shown in Figure 5. K.J. and F.V. acknowledge the University of Antwerp Research Council for financial support via GOA project SolarPaint as well as InterReg project Smart*Light. FWO projects G057419N and G056619N are also acknowledged. The authors also wish to acknowledge the Van Gogh and Kroller-Muller museums, the Rijksmuseum, the Royal Museum of Fine Arts Antwerp and the Louvre museum for the constructive and inspiring collaborations in the past decade. Various beam lines and the staff at ESRF and DESY are thanked for providing beam time and support during experiments. ; | Approved | Most recent IF: 5.317 | ||
Call Number | UA @ admin @ c:irua:165061 | Serial | 5911 | ||
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Author | Vervloessem, E.; Aghaei, M.; Jardali, F.; Hafezkhiabani, N.; Bogaerts, A. | ||||
Title | Plasma-Based N2Fixation into NOx: Insights from Modeling toward Optimum Yields and Energy Costs in a Gliding Arc Plasmatron | Type | A1 Journal article | ||
Year | 2020 | Publication | Acs Sustainable Chemistry & Engineering | Abbreviated Journal | Acs Sustain Chem Eng |
Volume | 8 | Issue | 26 | Pages | 9711-9720 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Plasma technology provides a sustainable, fossil-free method for N2 fixation, i.e., the conversion of inert atmospheric N2 into valuable substances, such as NOx or ammonia. In this work, we present a novel gliding arc plasmatron at atmospheric pressure for NOx production at different N2/O2 gas feed ratios, offering a promising NOx yield of 1.5% with an energy cost of 3.6 MJ/mol NOx produced. To explain the underlying mechanisms, we present a chemical kinetics model, validated by experiments, which provides insight into the NOx formation pathways and into the ambivalent role of the vibrational kinetics. This allows us to pinpoint the factors limiting the yield and energy cost, which can help to further improve the process. | ||||
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Language | Wos | 000548456600013 | Publication Date | 2020-07-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.4 | Times cited | Open Access | OpenAccess | |
Notes | Herculesstichting; Universiteit Antwerpen; Vlaamse regering; H2020 European Research Council, 810182 ; N2 Applied; Excellence of Science FWO – FNRS project, 30505023 GoF9618n ; | Approved | Most recent IF: 8.4; 2020 IF: 5.951 | ||
Call Number | PLASMANT @ plasmant @c:irua:170138 | Serial | 6392 | ||
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Author | Bafekry, A.; Obeid, M.; Nguyen, C.; Bagheri Tagani, M.; Ghergherehchi, M. | ||||
Title | Graphene hetero-multilayer on layered platinum mineral Jacutingaite (Pt₂HgSe₃): Van der Waals heterostructures with novel optoelectronic and thermoelectric performances | Type | A1 Journal article | ||
Year | 2020 | Publication | Journal Of Materials Chemistry A | Abbreviated Journal | J Mater Chem A |
Volume | 8 | Issue | 26 | Pages | 13248-13260 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract | Motivated by the recent successful synthesis of the layered platinum mineral jacutingaite (Pt2HgSe3), we have studied the optoelectronic, mechanical, and thermoelectric properties of graphene hetero-multilayer on Pt(2)HgSe(3)monolayer (PHS) heterostructures (LG/PHS) by using first-principles calculations. PHS is a topological insulator with a band gap of about 160 meV with fully relativistic calculations; when graphene layers are stacked on PHS, a narrow band gap of similar to 10-15 meV opens. In the presence of gate-voltage and out-of plane strain,i.e.pressure, the electronic properties are modified; the Dirac-cone of graphene can be shifted upwards (downward) to a lower (higher) binding energy. The absorption spectrum shows two peaks, which are located around 216 nm (5.74 eV) and protracted to 490 nm (2.53 eV), indicating that PHS could absorb more visible light. Increasing the number of graphene layers on PHS has a positive impact on the UV-vis light absorption and gives a clear red-shift with enhanced absorption intensity. To investigate the electronic performance of the heterostructure, the electrical conductance and thermopower of a device composed of graphene layers and PHS is examined by a combination of DFT and Green function formalism. The number of graphene layers can significantly tune the thermopower and electrical conductance. This analysis reveals that the heterostructures not only significantly affect the electronic properties, but they can also be used as an efficient way to modulate the optic and thermoelectric properties. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000546391600032 | Publication Date | 2020-05-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2050-7488; 2050-7496 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 11.9 | Times cited | 20 | Open Access | |
Notes | ; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea Government (MSIT) (NRF-2017R1A2B2011989) and Vietnam National Foundation for Science and Technology Development (NAFOSTED) under grant number 103.01-2019.05. ; | Approved | Most recent IF: 11.9; 2020 IF: 8.867 | ||
Call Number | UA @ admin @ c:irua:169755 | Serial | 6529 | ||
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Author | Guo, J.; Clima, S.; Pourtois, G.; Van Houdt, J. | ||||
Title | Identifying alternative ferroelectric materials beyond Hf(Zr)O-₂ | Type | A1 Journal article | ||
Year | 2020 | Publication | Applied Physics Letters | Abbreviated Journal | Appl Phys Lett |
Volume | 117 | Issue | 26 | Pages | 262903 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | A database-driven approach combined with ab initio density functional theory (DFT) simulations is used to identify and simulate alternative ferroelectric materials beyond Hf(Zr)O-2. The database-driven screening method identifies a class of wurtzite ferroelectric materials. DFT simulations of wurtzite magnesium chalcogenides, including MgS, MgSe, and MgTe, show their potential to achieve improved ferroelectric (FE) stability, simple atomistic unit cell structure, and large FE polarization. Strain engineering can effectively modulate the FE switching barrier height for facilitating FE switching. The effect of the piezoelectric property on the FE switching barrier heights is also examined. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000608049700003 | Publication Date | 2020-12-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-6951; 1077-3118 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4 | Times cited | Open Access | ||
Notes | Approved | Most recent IF: 4; 2020 IF: 3.411 | |||
Call Number | UA @ admin @ c:irua:176053 | Serial | 6766 | ||
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Author | Demiroglu, I.; Karaaslan, Y.; Kocabas, T.; Keceli, M.; Vazquez-Mayagoitia, A.; Sevik, C. | ||||
Title | Computation of the thermal expansion coefficient of graphene with Gaussian approximation potentials | Type | A1 Journal article | ||
Year | 2021 | Publication | Journal Of Physical Chemistry C | Abbreviated Journal | J Phys Chem C |
Volume | 125 | Issue | 26 | Pages | 14409-14415 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract | Direct experimental measurement of thermal expansion coefficient without substrate effects is a challenging task for two-dimensional (2D) materials, and its accurate estimation with large-scale ab initio molecular dynamics is computationally very expensive. Machine learning-based interatomic potentials trained with ab initio data have been successfully used in molecular dynamics simulations to decrease the computational cost without compromising the accuracy. In this study, we investigated using Gaussian approximation potentials to reproduce the density functional theory-level accuracy for graphene within both lattice dynamical and molecular dynamical methods, and to extend their applicability to larger length and time scales. Two such potentials are considered, GAP17 and GAP20. GAP17, which was trained with pristine graphene structures, is found to give closer results to density functional theory calculations at different scales. Further vibrational and structural analyses verify that the same conclusions can be deduced with density functional theory level in terms of the reasoning of the thermal expansion behavior, and the negative thermal expansion behavior is associated with long-range out-of-plane phonon vibrations. Thus, it is argued that the enabled larger system sizes by machine learning potentials may even enhance the accuracy compared to small-size-limited ab initio molecular dynamics. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000672734100027 | Publication Date | 2021-06-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-7447; 1932-7455 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.536 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 4.536 | |||
Call Number | UA @ admin @ c:irua:179850 | Serial | 7719 | ||
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Author | Craco, L.; Carara, S.S.; Barboza, E. da S.; Milošević, M.V.; Pereira, T.A.S. | ||||
Title | Electronic and valleytronic properties of crystalline boron-arsenide tuned by strain and disorder | Type | A1 Journal article | ||
Year | 2023 | Publication | RSC advances | Abbreviated Journal | |
Volume | 13 | Issue | 26 | Pages | 17907-17913 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Ab initio density functional theory (DFT) and DFT plus coherent potential approximation (DFT + CPA) are employed to reveal, respectively, the effect of in-plane strain and site-diagonal disorder on the electronic structure of cubic boron arsenide (BAs). It is demonstrated that tensile strain and static diagonal disorder both reduce the semiconducting one-particle band gap of BAs, and a V-shaped p-band electronic state emerges – enabling advanced valleytronics based on strained and disordered semiconducting bulk crystals. At biaxial tensile strains close to 15% the valence band lineshape relevant for optoelectronics is shown to coincide with one reported for GaAs at low energies. The role played by static disorder on the As sites is to promote p-type conductivity in the unstrained BAs bulk crystal, consistent with experimental observations. These findings illuminate the intricate and interdependent changes in crystal structure and lattice disorder on the electronic degrees of freedom of semiconductors and semimetals. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 001008414700001 | Publication Date | 2023-06-13 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2046-2069 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 3.9 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 3.9; 2023 IF: 3.108 | |||
Call Number | UA @ admin @ c:irua:197317 | Serial | 8861 | ||
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Author | Radi, A.; Khalil-Allafi, J.; Etminanfar, M.R.; Pourbabak, S.; Schryvers, D.; Amin-Ahmadi, B. | ||||
Title | Influence of stress aging process on variants of nano-N4Ti3precipitates and martensitic transformation temperatures in NiTi shape memory alloy | Type | A1 Journal article | ||
Year | 2018 | Publication | Materials & design | Abbreviated Journal | Mater Design |
Volume | 262 | Issue | 262 | Pages | 74-81 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | In this study, the effect of a stress aging process on the microstructure and martensitic phase transformation of NiTi shape memory alloy has been investigated. NiTi samples were aged at 450 degrees C for 1 h and 5 h under different levels of external tensile stress of 15, 60 and 150 MPa. Transmission electron microscopy (TEM) was used to characterize different variants and morphology of precipitates. The results show that application of all stress levels restricts the formation of precipitates variants in the microstructure after I h stress aging process. However, all variants can be detected by prolonging aging time to 5 h at 15 MPa stress level and the variants formation is again restricted by increasing the stress level. Moreover, the stress aging process resulted in changing the shape of precipitates in comparison with that of the stress-free aged samples. Coffee-bean shaped morphologies were detected for precipitates in all stress levels. According to the Differential Scanning Calorimetry (DSC) results, the martensite start temperature (M-s) on cooling shifts to higher temperatures with increasing the tensile stress during the aging process. This can be related to the change ofaustenite to martensite interface energy due to the different volume fractions and variants of precipitates. (c) 2018 Elsevier Ltd. All rights reserved. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | Publication Date | 2018-01-04 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0264-1275 | ISBN | Additional Links | UA library record; ; WoS full record; WoS citing articles | |
Impact Factor | 4.364 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 4.364 | |||
Call Number | UA @ lucian @ c:irua:149854 | Serial | 4938 | ||
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Author | Ramachandran, D.; Egoavil, R.; Crabbe, A.; Hauffman, T.; Abakumov, A.; Verbeeck, J.; Vandendael, I.; Terryn, H.; Schryvers, D. | ||||
Title | TEM and AES investigations of the natural surface nano-oxide layer of an AISI 316L stainless steel microfibre | Type | A1 Journal article | ||
Year | 2016 | Publication | Journal of microscopy | Abbreviated Journal | J Microsc-Oxford |
Volume | 264 | Issue | 264 | Pages | 207-214 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The chemical composition, nanostructure and electronic structure of nanosized oxide scales naturally formed on the surface of AISI 316L stainless steel microfibres used for strengthening of composite materials have been characterised using a combination of scanning and transmission electron microscopy with energy-dispersive X-ray, electron energy loss and Auger spectroscopy. The analysis reveals the presence of three sublayers within the total surface oxide scale of 5.0-6.7 nm thick: an outer oxide layer rich in a mixture of FeO.Fe2 O3 , an intermediate layer rich in Cr2 O3 with a mixture of FeO.Fe2 O3 and an inner oxide layer rich in nickel. | ||||
Address | Electron Microscopy for Materials Science, University of Antwerp, Antwerp, Belgium | ||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | English | Wos | 000385944300009 | Publication Date | 2016-06-17 |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-2720 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.692 | Times cited | 12 | Open Access | |
Notes | This work was supported by SIM vzw, Technologiepark 935, BE-9052 Zwijnaarde, Belgium, within the InterPoCo project of the H-INT-S horizontal program. The authors are also thankful to Stijn Van den Broeck for help in FIB sample preparation, to Hamed Heidari for useful comments and to the N.V. Bekaert S.A. company for providing the microfibres. RE acknowledges funding by the European Union Council under the 7th Framework Program (FP7) grant nr NMP3-LA-2010-246102 IFOX. | Approved | Most recent IF: 1.692 | ||
Call Number | c:irua:134087 | Serial | 4096 | ||
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