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Author Vasilopoulos, P.; Peeters, F.M.
Title (down) Quantum magnetotransport of a two-dimensional electron gas subject to periodic electric and magnetic modulations Type A1 Journal article
Year 1991 Publication Physica scripta Abbreviated Journal Phys Scripta
Volume T39 Issue Pages 177-181
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Stockholm Editor
Language Wos A1991GV57300028 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-8949 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.126 Times cited 8 Open Access
Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #
Call Number UA @ lucian @ c:irua:968 Serial 2779
Permanent link to this record
 
 
Author Vasilopoulos; Peeters, F.M.
Title (down) Quantum magnetotransport of a 2-dimensional electron-gas subject to periodic electric or magnetic modulations Type A1 Journal article
Year 1991 Publication Physica scripta : supplements T2 – 11TH GENERAL CONF OF THE CONDENSED MATTER DIVISION OF THE EUROPEAN, PHYSICAL SOC, APR 08-11, 1991, EXETER, ENGLAND Abbreviated Journal Phys Scripta
Volume T39 Issue Pages 177-181
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Electrical transport properties of the two-dimensional electron gas are studied in the presence of a perpendicular magnetic field B = Bz and of a weak one-dimensional electric (V0 cos (Kx)) or magnetic (B0 = B0 cos (Kx)z) modulation where B0 << B, K = 2-pi/a, and a is the modulation period. In either case the discrete Landau levels broaden into bands whose width: (1) is proportional to the modulation strength, (2) it oscillates with B, and (3) it gives rise to magnetoresistance oscillations, at low B, that are different in period and temperature dependence from the Shubnikov-de Haas (SdH) ones, at higher B. For equal energy modulation strengths, V0 = heB0/m*, the magnetic bandwidth at the Fermi energy is about one order of magnitude larger than the electric one. The same holds for the oscillation amplitude of the electrical magnetoresistivity tensor. For two-dimensional modulations the energy spectrum has the same structure but with different scales. For weak magnetic fields and equal modulation strengths the gaps in the spectrum can be much larger in the magnetic case thus making easier the observability of the spectrum's fine structure.
Address
Corporate Author Thesis
Publisher Royal swedish acad sciences Place of Publication Stockholm Editor
Language Wos A1991GV57300028 Publication Date 2007-01-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-8949;1402-4896; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.126 Times cited 8 Open Access
Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #
Call Number UA @ lucian @ c:irua:95508 Serial 2778
Permanent link to this record
 
 
Author Brito, B.G.A.; Candido, L.; Hai, G.-Q.; Peeters, F.M.
Title (down) Quantum effects in a free-standing graphene lattice : path-integral against classical Monte Carlo simulations Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 92 Issue 92 Pages 195416
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract In order to study quantum effects in a two-dimensional crystal lattice of a free-standing monolayer graphene, we have performed both path-integral Monte Carlo (PIMC) and classical Monte Carlo (MC) simulations for temperatures up to 2000 K. The REBO potential is used for the interatomic interaction. The total energy, interatomic distance, root-mean-square displacement of the atom vibrations, and the free energy of the graphene layer are calculated. The obtained lattice vibrational energy per atom from the classical MC simulation is very close to the energy of a three-dimensional harmonic oscillator 3k(B)T. The PIMC simulation shows that quantum effects due to zero-point vibrations are significant for temperatures T < 1000 K. The quantum contribution to the lattice vibrational energy becomes larger than that of the classical lattice for T < 400 K. The lattice expansion due to the zero-point motion causes an increase of 0.53% in the lattice parameter. A minimum in the lattice parameter appears at T similar or equal to 500 K. Quantum effects on the atomic vibration amplitude of the graphene lattice and its free energy are investigated.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000368095400004 Publication Date 2015-11-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121; 1550-235x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 22 Open Access
Notes ; This research was supported by the Brazilian agencies FAPESP, FAPEG, and CNPq, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number UA @ lucian @ c:irua:131144 Serial 4232
Permanent link to this record
 
 
Author Shestakov, M.V.; Tikhomirov, V.K.; Kirilenko, D.; Kuznetsov, A.S.; Chibotaru, L.F.; Baranov, A.N.; Van Tendeloo, G.; Moshchalkov, V.V.
Title (down) Quantum cutting in Li (770 nm) and Yb (1000 nm) co-dopant emission bands by energy transfer from the ZnO nano-crystalline host Type A1 Journal article
Year 2011 Publication Optics express Abbreviated Journal Opt Express
Volume 19 Issue 17 Pages 15955-15964
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Li-Yb co-doped nano-crystalline ZnO has been synthesized by a method of thermal growth from the salt mixtures. X-ray diffraction, transmission electron microscopy, atomic absorption spectroscopy and optical spectroscopy confirm the doping and indicate that the dopants may form Li-Li and Yb3+-Li based nanoclusters. When pumped into the conduction and exciton absorption bands of ZnO between 250 to 425 nm, broad emission bands of about 100 nm half-height-width are excited around 770 and 1000 nm, due to Li and Yb dopants, respectively. These emission bands are activated by energy transfer from the ZnO host mostly by quantum cutting processes, which generate pairs of quanta in Li (770 nm) and Yb (1000 nm) emission bands, respectively, out of one quantum absorbed by the ZnO host. These quantum cutting phenomena have great potential for application in the down-conversion layers coupled to the Si solar cells.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000293894900033 Publication Date 2011-08-04
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 19 Open Access
Notes FWO; Methusalem Approved Most recent IF: 3.307; 2011 IF: 3.587
Call Number UA @ lucian @ c:irua:92428 Serial 2776
Permanent link to this record
 
 
Author Chen, Y.; Shanenko, A.A.; Croitoru, M.D.; Peeters, F.M.
Title (down) Quantum cascades in nano-engineered superconductors : geometrical, thermal and paramagnetic effects Type A1 Journal article
Year 2012 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 24 Issue 26 Pages 265702
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The effect of a parallel magnetic field on the orbital motion of electrons in high-quality superconducting nanowires resulting in a superconductor-to-normal transition which occurs through a cascade of jumps in the order parameter as a function of the magnetic field. Such cascades originate from the transverse size quantization that splits the conduction band into a series of subbands. Here, based on a numerical solution of the Bogoliubov-de Gennes equations for a hollow nanocylinder, we investigate how the quantum-size cascades depend on the confining geometry, i.e., by changing the cylinder radius R and its thickness d we cover the range from the nanowire-like to the nanofilm-like regime. The cascades are shown to become much less pronounced when increasing R/d, i.e., when the nanofilm-like regime is approached. When the temperature is non-zero they are thermally smoothed. This includes the spin-magnetic-field interaction which reduces the critical (depairing) parallel magnetic field H-c,H-parallel to but does not have any qualitative effect on the quantum cascades. From our calculations it is seen that the paramagnetic limiting field H-par significantly exceeds H-c,H-parallel to even in extremely narrow nanocylinders, i.e., when R, d are down to a few nanometers, and H-c,H-parallel to is only about 10% larger when switching-off the spin-magnetic-field interaction in this case. Both characteristic fields, H-c,H-parallel to and H-par, exhibit pronounced quantum-size oscillations. We demonstrate that the quantum cascades and the quantum-size oscillations survive in the presence of surface roughness.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000305640800014 Publication Date 2012-06-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 6 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-VI) and the ESF-AQDJJ network. MDC acknowledges the support of the EU Marie Curie IEF Action (Grant Agreement No. PIEF-GA-2009-235486-ScQSR). ; Approved Most recent IF: 2.649; 2012 IF: 2.355
Call Number UA @ lucian @ c:irua:100281 Serial 2773
Permanent link to this record
 
 
Author Kong, X.; Li, L.; Leenaerts, O.; Wang, W.; Liu, X.-J.; Peeters, F.M.
Title (down) Quantum anomalous Hall effect in a stable 1T-YN2 monolayer with a large nontrivial bandgap and a high Chern number Type A1 Journal article
Year 2018 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 10 Issue 17 Pages 8153-8161
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract The quantum anomalous Hall (QAH) effect is a topologically nontrivial phase, characterized by a non-zero Chern number defined in the bulk and chiral edge states in the boundary. Using first-principles calculations, we demonstrate the presence of the QAH effect in a 1T-YN2 monolayer, which was recently predicted to be a Dirac half metal without spin-orbit coupling (SOC). We show that the inclusion of SOC opens up a large nontrivial bandgap of nearly 0.1 eV in the electronic band structure. This results in the nontrivial bulk topology, which is confirmed by the calculation of Berry curvature, anomalous Hall conductance and the presence of chiral edge states. Remarkably, a QAH phase of high Chern number C = 3 is found, and there are three corresponding gapless chiral edge states emerging inside the bulk gap. Different substrates are also chosen to study the possible experimental realization of the 1T-YN2 monolayer, while retaining its nontrivial topological properties. Our results open a new avenue in searching for QAH insulators with high temperature and high Chern numbers, which can have nontrivial practical applications.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000432261400033 Publication Date 2018-03-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 28 Open Access
Notes ; This work was supported by the Ministry of Science and Technology of China (MOST) (Grant No. 2016YFA0301604), the National Natural Science Foundation of China (NSFC) (No. 11574008), the Thousand-Young-Talent Program of China, the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl) and the FLAG-ERA project TRANS 2D TMD. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government department EWI, and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. W. Wang acknowledges financial support from the National Natural Science Foundation of China (Grant No. 11404214) and the China Scholarship Council (CSC). ; Approved Most recent IF: 7.367
Call Number UA @ lucian @ c:irua:151519UA @ admin @ c:irua:151519 Serial 5040
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Author Yuan, H.F.; Xu, W.; Zhao, X.N.; Song, D.; Zhang, G.R.; Xiao, Y.M.; Ding, L.; Peeters, F.M.
Title (down) Quantum and transport mobilities of a Na3Bi-based three-dimensional Dirac system Type A1 Journal article
Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 99 Issue 23 Pages 235303
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The electronic and transport properties of a three-dimensional (3D) Dirac system are investigated theoretically, which is motivated by recent experimental measurements on quantum and transport mobilities in the 3D Dirac semimetal Na3Bi by J. Xiong et al. [Science 350, 413 (2015); Europhys. Lett. 114, 27002 (2016)]. The electron Hamiltonian is taken from a simplified k center dot p approach. From the obtained electronic band structure and the Fermi energy, we explain why the anomalous effect induced by the chiral anomaly and the Berry curvature in the energy band can be observed experimentally in magnetotransport coefficients in both low-and high-density samples. Moreover, the quantum and transport mobilities are calculated on the basis of the momentum-balance equation derived from a semiclassical Boltzmann equation with the electron-impurity interaction. The quantum and transport mobilities obtained from this study agree both qualitatively and quantitatively with those measured experimentally. We also examine the electron mobilities along different crystal directions in Na3Bi and find them largely anisotropic. The theoretical findings from this work can be helpful in gaining an in-depth understanding of the experimental results and of the basic electronic and transport properties of newly developed 3D Dirac systems.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000471983500006 Publication Date 2019-06-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 3 Open Access
Notes ; ; Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:161329 Serial 5425
Permanent link to this record
 
 
Author Dong, H.M.; Xu, W.; Zeng, Z.; Lu, T.C.; Peeters, F.M.
Title (down) Quantum and transport conductivities in monolayer graphene Type A1 Journal article
Year 2008 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 77 Issue 23 Pages 235402,1-9
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000257289500092 Publication Date 2008-06-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 31 Open Access
Notes Approved Most recent IF: 3.836; 2008 IF: 3.322
Call Number UA @ lucian @ c:irua:69637 Serial 2771
Permanent link to this record
 
 
Author Vekemans, B.; Vincze, L.; Somogyi, A.; Drakopoulos, M.; Kempenaers, L.; Simionovici, A.S.; Adams, F.
Title (down) Quantitative X-ray fluorescence analysis at the ESRF ID18F microprobe Type A1 Journal article
Year 2003 Publication Nuclear instruments and methods: B Abbreviated Journal
Volume 199 Issue Pages 396-401
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000180925400077 Publication Date 2003-02-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:40713 Serial 8444
Permanent link to this record
 
 
Author Pfannmöller, M.; Heidari, H.; Nanson, L.; Lozman, O.R.; Chrapa, M.; Offermans, T.; Nisato, G.; Bals, S.
Title (down) Quantitative Tomography of Organic Photovoltaic Blends at the Nanoscale Type A1 Journal article
Year 2015 Publication Nano letters Abbreviated Journal Nano Lett
Volume 15 Issue 15 Pages 6634-6642
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The success of semiconducting organic materials has enabled green technologies for electronics, lighting, and photovoltaics. However, when blended together, these materials have also raised novel fundamental questions with respect to electronic, optical, and thermodynamic properties. This is particularly important for organic photovoltaic cells based on the bulk heterojunction. Here, the distribution of nanoscale domains plays a crucial role depending on the specific device structure. Hence, correlation of the aforementioned properties requires 3D nanoscale imaging of materials domains, which are embedded in a multilayer device. Such visualization has so far been elusive due to lack of contrast, insufficient signal, or resolution limits. In this Letter, we introduce spectral scanning transmission electron tomography for reconstruction of entire volume plasmon spectra from rod-shaped specimens. We provide 3D structural correlations and compositional mapping at a resolution of approximately 7 nm within advanced organic photovoltaic tandem cells. Novel insights that are obtained from quantitative 3D analyses reveal that efficiency loss upon thermal annealing can be attributed to subtle, fundamental blend properties. These results are invaluable in guiding the design and optimization of future devices in plastic electronics applications and provide an empirical basis for modeling and simulation of organic solar cells.
Address EMAT-University of Antwerp , Groenenborgerlaan 171, B-2020 Antwerp, Belgium
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000363003100052 Publication Date 2015-09-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1530-6984;1530-6992; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.712 Times cited 26 Open Access OpenAccess
Notes This work was supported by the FP7 European collaborative project SUNFLOWER (FP7-ICT-2011-7-contract num. 287594). S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078-COLOURATOMS). M.P. gratefully acknowledges the SIM NanoForce program for their financial support. We acknowledge AGFA for providing the neutral PEDOT:PSS and GenesInk for the ZnO nanoparticles. We would like to thank Stijn Van den broeck for extensive support on FIB sample preparation. M.P. and H.H. thank Daniele Zanaga for the many fruitful discussions.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 12.712; 2015 IF: 13.592
Call Number c:irua:129423 c:irua:129423 Serial 3973
Permanent link to this record
 
 
Author Cao, S.; Nishida, M.; Schryvers, D.
Title (down) Quantitative three-dimensional analysis of Ni4Ti3 precipitate morphology and distribution in polycrystalline Ni-Ti Type A1 Journal article
Year 2011 Publication Acta materialia Abbreviated Journal Acta Mater
Volume 59 Issue 4 Pages 1780-1789
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The three-dimensional size, morphology and distribution of Ni4Ti3 precipitates in a Ni50.8Ti49.2 polycrystalline shape memory alloy with a heterogeneous microstructure have been investigated using a focused ion beam/scanning electron microscopy slice-and-view procedure. The mean volume, central plane diameter, thickness, aspect ratio and sphericity of the precipitates in the grain interior as well as near to the grain boundary were measured and/or calculated. The morphology of the precipitates was quantified by determining the equivalent ellipsoids with the same moments of inertia and classified according to the Zingg scheme. Also, the pair distribution functions describing the three-dimensional distributions were obtained from the coordinates of the precipitate mass centres. Based on this new data it is suggested that the existence of the heterogeneous microstructure could be due to a very small concentration gradient in the grains of the homogenized material and that the resulting multistage martensitic transformation originates in strain effects related to the size of the precipitates and scale differences of the available B2 matrix in between the precipitates.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000287265100045 Publication Date 2010-12-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-6454; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.301 Times cited 34 Open Access
Notes Fwo Approved Most recent IF: 5.301; 2011 IF: 3.755
Call Number UA @ lucian @ c:irua:85533 Serial 2766
Permanent link to this record
 
 
Author Altantzis, T.; Goris, B.; Sánchez-Iglesias, A.; Grzelczak, M.; Liz-Marzán, L.M.; Bals, S.
Title (down) Quantitative structure determination of large three-dimensional nanoparticle assemblies Type A1 Journal article
Year 2013 Publication Particle and particle systems characterization Abbreviated Journal Part Part Syst Char
Volume 30 Issue 1 Pages 84-88
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Thumbnail image of graphical abstract To investigate nanoassemblies in three dimensions, electron tomography is an important tool. For large nanoassemblies, it is not straightforward to obtain quantitative results in three dimensions. An optimized acquisition technique, incoherent bright field scanning transmission electron microscopy, is combined with an advanced 3D reconstruction algorithm. The approach is applied to quantitatively analyze large nanoassemblies in three dimensions.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000310806000008 Publication Date 2012-11-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0934-0866; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.474 Times cited 23 Open Access
Notes Goa; Fwo; 267867 Plasmaquo; 262348 Esmi Approved Most recent IF: 4.474; 2013 IF: 0.537
Call Number UA @ lucian @ c:irua:101776 Serial 2763
Permanent link to this record
 
 
Author Payne, L.M.; Masia, F.; Zilli, A.; Albrecht, W.; Borri, P.; Langbein, W.
Title (down) Quantitative morphometric analysis of single gold nanoparticles by optical extinction microscopy: Material permittivity and surface damping effects Type A1 Journal article
Year 2021 Publication Journal Of Chemical Physics Abbreviated Journal J Chem Phys
Volume 154 Issue 4 Pages 044702
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000630495600001 Publication Date 2021-01-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited Open Access OpenAccess
Notes This work was supported by the Welsh Government Life Sciences Bridging Fund (Grant No. LSBF/R6-005), the UK EPSRC (Grant Nos. EP/I005072/1 and EP/M028313/1), and the European Commission (Grant No. EUSMI E191000350). P.B. acknowledges the Royal Society for her Wolfson research merit award (Grant No. WM140077). F.M. acknowledges the Ser Cymru II programme (Case ID 80762-CU-148) which is part-funded by Cardiff University and the European Regional Development Fund through the Welsh Government. W.A. acknowledges an Individual Fellowship from the Marie Skłodowska-Curie actions (MSCA) under the EU’s Horizon 2020 program (Grant No. 797153, SOPMEN) and Sara Bals for supporting the STEM measurements. The brightfield TEM was performed by Thomas Davies at Cardiff University. We acknowledge Iestyn Pope for technical support of the optical equipment. Approved Most recent IF: 2.965
Call Number EMAT @ emat @c:irua:177566 Serial 6748
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Author Bercx, M.; Partoens, B.; Lamoen, D.
Title (down) Quantitative modeling of secondary electron emission from slow-ion bombardment on semiconductors Type A1 Journal article
Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 99 Issue 8 Pages 085413
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract When slow ions incident on a surface are neutralized, the excess potential energy is passed on to an electron inside the surface, leading to emission of secondary electrons. The microscopic description of this process, as

well as the calculation of the secondary electron yield, is a challenging problem due to its complexity as well

as its sensitivity to surface properties. One of the first quantitative descriptions was articulated in the 1950s by

Hagstrum, who based his calculation on a parametrization of the density of states of the material. In this paper, we

present a model for calculating the secondary electron yield, derived from Hagstrum’s initial approach. We use

first-principles density functional theory calculations to acquire the necessary input and introduce the concept of

electron cascades to Hagstrum’s model in order to improve the calculated spectra, as well as remove its reliance

on fitting parameters. We apply our model to He+ and Ne+ ions incident on Ge(111) and Si(111) and obtain

yield spectra that match closely to the experimental results of Hagstrum.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000458367800010 Publication Date 2019-02-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 5 Open Access OpenAccess
Notes We would like to thank Prof. D. Depla for the useful discussions on the secondary electron yield. Furthermore, we acknowledge financial support of FWO-Vlaanderen through project G.0216.14N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWOVlaanderen and the Flemish Government-department EWI. Approved Most recent IF: 3.836
Call Number EMAT @ emat @UA @ admin @ c:irua:157174 Serial 5154
Permanent link to this record
 
 
Author Li, K.; Idrissi, H.; Sha, G.; Song, M.; Lu, J.; Shi, H.; Wang, W.; Ringer, S.P.; Du, Y.; Schryvers, D.
Title (down) Quantitative measurement for the microstructural parameters of nano-precipitates in Al-Mg-Si-Cu alloys Type A1 Journal article
Year 2016 Publication Materials characterization Abbreviated Journal Mater Charact
Volume 118 Issue 118 Pages 352-362
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Size, number density and volume fraction of nano-precipitates are important microstructural parameters controlling the strengthening of materials. In this work a widely accessible, convenient, moderately time efficient method with acceptable accuracy and precision has been provided for measurement of volume fraction of nano-precipitates in crystalline materials. The method is based on the traditional but highly accurate technique of measuring foil thickness via convergent beam electron diffraction. A new equation is proposed and verified with the aid of 3-dimensional atom probe (3DAP) analysis, to compensate for the additional error resulted from the hardly distinguishable contrast of too short incomplete precipitates cut by the foil surface. The method can be performed on a regular foil specimen with a modem LaB6 or field-emission-gun transmission electron microscope. Precisions around +/- 16% have been obtained for precipitate volume fractions of needle-like beta ''/C and Q precipitates in an aged Al-Mg-Si-Cu alloy. The measured number density is dose to that directly obtained using 3DAP analysis by a misfit of 45%, and the estimated precision for number density measurement is about +/- 11%. The limitations of the method are also discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000383292000042 Publication Date 2016-06-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1044-5803 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.714 Times cited 9 Open Access
Notes This work is financially supported by National Natural Science Foundation of China (51501230 and 51531009) and Postdoctoral Science Foundation of Central South University (502042057). H.I. acknowledges the IAP program of the Belgian State Federal Office for Scientific, Technical and Cultural Affairs under Contract No. P7/21 and FWO project G.0576.09N. Approved Most recent IF: 2.714
Call Number EMAT @ emat @ c:irua:137171 Serial 4334
Permanent link to this record
 
 
Author Grieb, T.; Tewes, M.; Schowalter, M.; Müller-Caspary, K.; Krause, F.F.; Mehrtens, T.; Hartmann, J.-M.; Rosenauer, A.
Title (down) Quantitative HAADF STEM of SiGe in presence of amorphous surface layers from FIB preparation Type A1 Journal article
Year 2018 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 184 Issue B Pages 29-36
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract <script type='text/javascript'>document.write(unpmarked('The chemical composition of four Si1-xGex layers grown on silicon was determined from quantitative scanning transmission electron microscopy (STEM). The chemical analysis was performed by a comparison of the high-angle annular dark field (HAADF) intensity with multislice simulations. It could be shown that amorphous surface layers originating from the preparation process by focused-ion beam (FIB) at 30 kV have a strong influence on the quantification: the local specimen thickness is overestimated by approximately a factor of two, and the germanium concentration is substantially underestimated. By means of simulations, the effect of amorphous surface layers on the HAADF intensity of crystalline silicon and germanium is investigated. Based on these simulations, a method is developed to analyze the experimental HAADF-STEM images by taking the influence of the amorphous layers into account which is done by a reduction of the intensities by multiplication with a constant factor. This suggested modified HAADF analysis gives germanium concentrations which are in agreement with the nominal values. The same TEM lamella was treated with low-voltage ion milling which removed the amorphous surface layers completely. The results from subsequent quantitative HAADF analyses are in agreement with the nominal concentrations which validates the applicability of the used frozen-lattice based multislice simulations to describe the HAADF scattering of Si1-xGex in STEM. (C) 2017 Elsevier B.V. All rights reserved.'));
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000417779800004 Publication Date 2017-10-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited 7 Open Access Not_Open_Access
Notes ; This work was supported by the German Research Foundation (DFG) under Contract No. RO2057/11-1. ; Approved Most recent IF: 2.843
Call Number UA @ lucian @ c:irua:148500 Serial 4893
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Author Terzano, R.; Spagnuolo, M.; Ruggiero, P.; Vekemans, B.; Scoonjans, T.; Vincze, L.; Janssens, K.; Tomasi, N.; Cesco, S.; Falkenberg, G.
Title (down) Quantitative Fe determination inside tomato roots by confocal μ-XRF Type H3 Book chapter
Year 2008 Publication Abbreviated Journal
Volume Issue Pages 1513-1514
Keywords H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:74468 Serial 5794
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Author Mahr, C.; Kundu, P.; Lackmann, A.; Zanaga, D.; Thiel, K.; Schowalter, M.; Schwan, M.; Bals, S.; Wittstock, A.; Rosenauer, A.
Title (down) Quantitative determination of residual silver distribution in nanoporous gold and its influence on structure and catalytic performance Type A1 Journal article
Year 2017 Publication Journal of catalysis Abbreviated Journal J Catal
Volume 352 Issue 352 Pages 52-58
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Large efforts have been made trying to understand the origin of the high catalytic activity of dealloyed nanoporous gold as a green catalyst for the selective promotion of chemical reactions at low temperatures. Residual silver, left in the sample after dealloying of a gold-silver alloy, has been shown to have a strong influence on the activity of the catalyst. But the question of how the silver is distributed within the porous structure has not finally been answered yet. We show by quantitative energy dispersive X-ray tomography measurements that silver forms clusters that are distributed irregularly, both on the surface and inside the ligaments building up the porous structure. Furthermore, we find that the role of the residual silver is ambiguous. Whereas CO oxidation is supported by more residual silver, methanol oxidation to methyl formate is hindered. Structural characterisation reveals larger ligaments and pores for decreasing residual silver concentration.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000408299600006 Publication Date 2017-05-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9517 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.844 Times cited 42 Open Access OpenAccess
Notes This work was supported by the Deutsche Forschungsgemeinschaft (DFG) under contracts no. RO2057/12-1 (SP 6) and WI4497/1-1 (SP 2) within the research unit FOR2213 (www.nagocat. de) and the European Research Council (ERC Starting Grant No. 335078-COLOURATOMS). (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); ecas_sara Approved Most recent IF: 6.844
Call Number EMAT @ emat @c:irua:144434UA @ admin @ c:irua:144434 Serial 4623
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Author Choël, M.; Deboudt, K.; Osán, J.; Flament, P.; Van Grieken, R.
Title (down) Quantitative determination of low-Z elements in single atmospheric particles on boron substrates by automated scanning electron microscopy: energy-dispersive X-ray spectrometry Type A1 Journal article
Year 2005 Publication Analytical chemistry Abbreviated Journal
Volume 77 Issue 17 Pages 5686-5692
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000231652300046 Publication Date 2005-08-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:53593 Serial 8443
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Author van Cleempoel, A.; Gijbels, R.; Zhu, D.; Claeys, M.; Richter, H.; Fonseca, A.
Title (down) Quantitative determination of C60 and C70 in soot extracts by high performance liquid chromatography and mass spectrometric characterization Type A1 Journal article
Year 1996 Publication Fullerene science and technology Abbreviated Journal Fuller Nanotub Car N
Volume 4 Issue Pages 1001-1017
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A quantitative HPLC method was applied to determine the amounts of C-60 and C-70 present in extracts of soot produced in the electric arc reactor and in flames. The combustion method was found to yield a higher C-70/C-60 ratio (0.67) compared with the evaporation experiment where the C-70/C-60 ratio amounts to 0.27.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos A1996VK45000015 Publication Date 2007-06-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1536-383X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.836 Times cited 6 Open Access
Notes Approved COMPUTER SCIENCE, INTERDISCIPLINARY 11/104 Q1 # PHYSICS, MATHEMATICAL 1/53 Q1 #
Call Number UA @ lucian @ c:irua:15612 Serial 2751
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Author Szalóki, I.; Braun, M.; Van Grieken, R.
Title (down) Quantitative characterisation of the leaching of lead and other elements from glazed surfaces of historical ceramics Type A1 Journal article
Year 2000 Publication Journal of analytical atomic spectrometry Abbreviated Journal
Volume 15 Issue Pages 843-850
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000088267700006 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0267-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:28426 Serial 8440
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Author Van Aert, S.; Verbeeck, J.; Erni, R.; Bals, S.; Luysberg, M.; van Dyck, D.; Van Tendeloo, G.
Title (down) Quantitative atomic resolution mapping using high-angle annular dark field scanning transmission electron microscopy Type A1 Journal article
Year 2009 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 109 Issue 10 Pages 1236-1244
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract A model-based method is proposed to relatively quantify the chemical composition of atomic columns using high angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) images. The method is based on a quantification of the total intensity of the scattered electrons for the individual atomic columns using statistical parameter estimation theory. In order to apply this theory, a model is required describing the image contrast of the HAADF STEM images. Therefore, a simple, effective incoherent model has been assumed which takes the probe intensity profile into account. The scattered intensities can then be estimated by fitting this model to an experimental HAADF STEM image. These estimates are used as a performance measure to distinguish between different atomic column types and to identify the nature of unknown columns with good accuracy and precision using statistical hypothesis testing. The reliability of the method is supported by means of simulated HAADF STEM images as well as a combination of experimental images and electron energy-loss spectra. It is experimentally shown that statistically meaningful information on the composition of individual columns can be obtained even if the difference in averaged atomic number Z is only 3. Using this method, quantitative mapping at atomic resolution using HAADF STEM images only has become possible without the need of simultaneously recorded electron energy loss spectra.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000270015200004 Publication Date 2009-05-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited 166 Open Access
Notes Fwo; Esteem 026019 Approved Most recent IF: 2.843; 2009 IF: 2.067
Call Number UA @ lucian @ c:irua:78585UA @ admin @ c:irua:78585 Serial 2748
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Author Wang, D.; van der Wee, E.B.; Zanaga, D.; Altantzis, T.; Wu, Y.; Dasgupta, T.; Dijkstra, M.; Murray, C.B.; Bals, S.; van Blaaderen, A.
Title (down) Quantitative 3D real-space analysis of Laves phase supraparticles Type A1 Journal article
Year 2021 Publication Nature Communications Abbreviated Journal Nat Commun
Volume 12 Issue 1 Pages 3980
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
Abstract 3D real-space analysis of thick nanoparticle crystals is non-trivial. Here, the authors demonstrate the structural analysis of a bulk-like Laves phase by imaging an off-stoichiometric binary mixture of hard-sphere-like nanoparticles in spherical confinement by electron tomography, enabling defect analysis on the single-particle level. Assembling binary mixtures of nanoparticles into crystals, gives rise to collective properties depending on the crystal structure and the individual properties of both species. However, quantitative 3D real-space analysis of binary colloidal crystals with a thickness of more than 10 layers of particles has rarely been performed. Here we demonstrate that an excess of one species in the binary nanoparticle mixture suppresses the formation of icosahedral order in the self-assembly in droplets, allowing the study of bulk-like binary crystal structures with a spherical morphology also called supraparticles. As example of the approach, we show single-particle level analysis of over 50 layers of Laves phase binary crystals of hard-sphere-like nanoparticles using electron tomography. We observe a crystalline lattice composed of a random mixture of the Laves phases. The number ratio of the binary species in the crystal lattice matches that of a perfect Laves crystal. Our methodology can be applied to study the structure of a broad range of binary crystals, giving insights into the structure formation mechanisms and structure-property relations of nanomaterials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000687320200032 Publication Date 2021-06-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.124 Times cited 10 Open Access OpenAccess
Notes M. Hermes is sincerely thanked for providing interactive views of the structures in this work. The authors thank I. Lobato, S. Dussi, L. Filion, E. Boattini, S. Paliwal, B. van der Meer and X. Xie for fruitful discussions. D.W., E.B.v.d.W. and A.v.B. acknowledge partial financial support from the European Research Council under the European Union’s Seventh Framework Program (FP-2007-2013)/ERC Advanced Grant Agreement 291667 HierarSACol. T.D. and M.D. acknowledge financial support from the Industrial Partnership Program, “Computational Sciences for Energy Research” (Grant no. 13CSER025), of the Netherlands Organization for Scientific Research (NWO), which was co-financed by Shell Global Solutions International B.V. S.B. acknowledges financial support from ERC Consolidator Grant No. 815128 REALNANO. T.A. acknowledges a post-doctoral grant from the Research Foundation Flanders (FWO, Belgium). C.B.M and Y.W. acknowledge support for materials synthesis from the Office of Naval Research Multidisciplinary University Research Initiative Award ONR N00014-18-1-2497. The authors acknowledge EM Square center at Utrecht University for the access to the microscopes.; sygmaSB Approved Most recent IF: 12.124
Call Number UA @ admin @ c:irua:181662 Serial 6845
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Author Kavak, S.; Kadu, A.A.; Claes, N.; Sánchez-Iglesias, A.; Liz-Marzán, L.M.; Batenburg, K.J.; Bals, S.
Title (down) Quantitative 3D Investigation of Nanoparticle Assemblies by Volumetric Segmentation of Electron Tomography Data Sets Type A1 Journal article
Year 2023 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal
Volume 127 Issue 20 Pages 9725-9734
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Morphological characterization of nanoparticle assemblies and hybrid nanomaterials is critical in determining their structure-property relationships as well as in the development of structures with desired properties. Electron tomography has become a widely utilized technique for the three-dimensional characterization of nanoparticle assemblies. However, the extraction of quantitative morphological parameters from the reconstructed volume can be a complex and labor-intensive task. In this study, we aim to overcome this challenge by automating the volumetric segmentation process applied to three-dimensional reconstructions of nanoparticle assemblies. The key to enabling automated characterization is to assess the performance of different volumetric segmentation methods in accurately extracting predefined quantitative descriptors for morphological characterization. In our methodology, we compare the quantitative descriptors obtained through manual segmentation with those obtained through automated segmentation methods, to evaluate their accuracy and effectiveness. To show generality, our study focuses on the characterization of assemblies of CdSe/CdS quantum dots, gold nanospheres and CdSe/CdS encapsulated in polymeric micelles, and silica-coated gold nanorods decorated with both CdSe/CdS or PbS quantum dots. We use two unsupervised segmentation algorithms: the watershed transform and the spherical Hough transform. Our results demonstrate that the choice of automated segmentation method is crucial for accurately extracting the predefined quantitative descriptors. Specifically, the spherical Hough transform exhibits superior performance in accurately extracting quantitative descriptors, such as particle size and interparticle distance, thereby allowing for an objective, efficient, and reliable volumetric segmentation of complex nanoparticle assemblies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000991752700001 Publication Date 2023-05-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 2 Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, 1181122N ; Horizon 2020 Framework Programme, 861950 ; H2020 European Research Council, 815128 ; Approved Most recent IF: 3.7; 2023 IF: 4.536
Call Number EMAT @ emat @c:irua:196971 Serial 8793
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Author Zanaga, D.; Bleichrodt, F.; Altantzis, T.; Winckelmans, N.; Palenstijn, W.J.; Sijbers, J.; de Nijs, B.; van Huis, M.A.; Sanchez-Iglesias, A.; Liz-Marzan, L.M.; van Blaaderen, A.; Joost Batenburg, K.; Bals, S.; Van Tendeloo, G.
Title (down) Quantitative 3D analysis of huge nanoparticle assemblies Type A1 Journal article
Year 2016 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 8 Issue 8 Pages 292-299
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Vision lab
Abstract Nanoparticle assemblies can be investigated in 3 dimensions using electron tomography. However, it is not straightforward to obtain quantitative information such as the number of particles or their relative position. This becomes particularly difficult when the number of particles increases. We propose a novel approach in which prior information on the shape of the individual particles is exploited. It improves the quality of the reconstruction of these complex assemblies significantly. Moreover, this quantitative Sparse Sphere Reconstruction approach yields directly the number of particles and their position as an output of the reconstruction technique, enabling a detailed 3D analysis of assemblies with as many as 10 000 particles. The approach can also be used to reconstruct objects based on a very limited number of projections, which opens up possibilities to investigate beam sensitive assemblies where previous reconstructions with the available electron tomography techniques failed.
Address EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp, Belgium. sara.bals@uantwerpen.be
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000366911700028 Publication Date 2015-11-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 34 Open Access OpenAccess
Notes The authors acknowledge financial support from European Research Council (ERC Starting Grant # 335078-COLOURATOMS, ERC Advanced Grant # 291667 HierarSACol and ERC Advanced Grant 267867 – PLASMAQUO), the European Union under the FP7 (Integrated Infrastructure Initiative N. 262348 European Soft Matter Infrastructure, ESMI and N. 312483 ESTEEM2), and from the Netherlands Organisation for Scientific Research (NWO), project number 639.072.005 and NWO CW 700.57.026. Networking support was provided by COST Action MP1207.; esteem2jra4; ECASSara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 7.367
Call Number c:irua:131062 c:irua:131062 Serial 3979
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Author Bal, K.M.; Neyts, E.C.
Title (down) Quantifying the impact of vibrational nonequilibrium in plasma catalysis: insights from a molecular dynamics model of dissociative chemisorption Type A1 Journal Article;plasma catalysis
Year 2021 Publication Journal Of Physics D-Applied Physics Abbreviated Journal J Phys D Appl Phys
Volume 54 Issue 39 Pages 394004
Keywords A1 Journal Article;plasma catalysis; vibrational nonequilibrium; dissociative chemisorption; free energy barriers; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract The rate, selectivity and efficiency of plasma-based conversion processes is strongly affected by nonequilibrium phenomena. High concentrations of vibrationally excited molecules are such a plasma-induced effect. It is frequently assumed that vibrationally excited molecules are important in plasma catalysis because their presence lowers the apparent activation energy of dissociative chemisorption reactions and thus increases the conversion rate. A detailed atomic-level understanding of vibrationally stimulated catalytic reactions in the context of plasma catalysis is however lacking. Here, we couple a recently developed statistical model of a plasma-induced vibrational nonequilibrium to molecular dynamics simulations, enhanced sampling methods, and machine learning techniques. We quantify the impact of a vibrational nonequilibrium on the dissociative chemisorption barrier of H2 and CH4 on nickel catalysts over a wide range of vibrational temperatures. We investigate the effect of surface structure and compare the role of different vibrational modes of methane in the dissociation process. For low vibrational temperatures, very high vibrational efficacies are found, and energy in bend vibrations appears to dominate the dissociation of methane. The relative impact of vibrational nonequilibrium is much higher on terrace sites than on surface steps. We then show how our simulations can help to interpret recent experimental results, and suggest new paths to a better understanding of plasma catalysis.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000674464100001 Publication Date 2021-09-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, 12ZI420N ; K M B was funded as a junior postdoctoral fellow of the FWO (Research Foundation—Flanders), Grant 12ZI420N. The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government. HLDA calculations were performed with a script provided by G Piccini. Approved Most recent IF: 2.588
Call Number PLASMANT @ plasmant @c:irua:179830 Serial 6808
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Author Varambhia, A.M.; Jones, L.; De Backer, A.; Fauske, V.T.; Van Aert, S.; Ozkaya, D.; Nellist, P.D.
Title (down) Quantifying a Heterogeneous Ru Catalyst on Carbon Black Using ADF STEM Type A1 Journal article
Year 2016 Publication Particle and particle systems characterization Abbreviated Journal Part Part Syst Char
Volume 33 Issue 33 Pages 438-444
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Ru catalysts are part of a set of late transition metal nanocatalysts that have garnered much interest for catalytic applications such as ammonia synthesis and fuel cell production. Their performance varies greatly depending on their morphology and size, these catalysts are widely studied using electron microscopy. Using recent developments in Annular Dark Field (ADF) Scanning Transmission Electron Microscopy (STEM) quantification techniques, a rapid atom counting procedure was utilized to document the evolution of a heterogeneous Ru catalyst supported on carbon black. Areas of the catalyst were imaged for approximately 15 minutes using ADF STEM. When the Ru clusters were exposed to the electron beam, the clusters changed phase from amorphous to crystalline. To quantify the thickness of the crystalline clusters, two techniques were applied (simulation and statistical decomposition) and compared. These techniques show that stable face centredcubic crystal structures in the form of rafts, between 2 and 8 atoms thick, were formed after the initial wetting of the carbon support.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000379970000012 Publication Date 2016-06-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0934-0866 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.474 Times cited 4 Open Access
Notes The authors would like to thank the EPSRC and Johnson Matthey for funding this work as part of a CASE-Award studentship. The research leading to these results has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483 – ESTEEM2 (Integrated Infrastructure Initiative–I3). We would like to thank Brian Theobald and Jonathan Sharman from JMTC for provision of the samples The authors gratefully acknowledge the Research Foundation Flanders (FWO, Belgium) for funding and for a postdoctoral grant to ADB. The microscope used was funded by the INFRASTRUKTUR Grant 197405 (NORTEM) program of the Research Council of Norway.; esteem2_jra2 Approved Most recent IF: 4.474
Call Number c:irua:134036 c:irua:134036 Serial 4086
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Author Yang, M.; Chen, H.; Orekhov, A.; Lu, Q.; Lan, X.; Li, K.; Zhang, S.; Song, M.; Kong, Y.; Schryvers, D.; Du, Y.
Title (down) Quantified contribution of β″ and β′ precipitates to the strengthening of an aged Al–Mg–Si alloy Type A1 Journal article
Year 2020 Publication Materials Science And Engineering A-Structural Materials Properties Microstructure And Processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 774 Issue Pages 138776
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract It is generally believed that β00 precipitates, rather than β0 precipitates, are the major strengthening precipitates in

aged Al–Mg–Si alloys. The reason for this difference is not well understood. To clarify this, two samples of the

same Al–Mg–Si alloy but with different aging states were prepared. The under-aged sample only contains nanoprecipitates

of the β00 type, while the peak-aged one contains nearly equal volumes of β00 and β0 precipitates. We

have, for the first time, separated the strengthening effect of the contribution from βʺ and βʹ precipitates,

respectively, by an indirect approach based on high-precision measurements of volume fractions, number densities,

sizes, proportions of the precipitates, their lattice strains, the composition and grain size of the matrix. The

β0 precipitates, which take 45.6% of the total precipitate volume in the peak-aged sample, contribute to the entire

precipitation strengthening by only 31.6%. The main reason why they are less useful compared to β00 precipitates

has been found to be associated with their smaller lattice strains relative to the matrix, which is 0.99% versus

2.10% (for β00 ).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000514747200001 Publication Date 2019-12-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-5093 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.4 Times cited Open Access OpenAccess
Notes National Natural Science Foundation of China, 51531009 51711530713 51501230 ; Central South University, 2018gczd033 ; Flemish Science Foundation, VS.026.18N ; Program for Guangdong Introducing Innovative and Entrepreneurial Teams, 2016ZT06G025 ; Guangdong Natural Science Foundation, 2017B030306014 ; Approved Most recent IF: 6.4; 2020 IF: 3.094
Call Number EMAT @ emat @c:irua:165290 Serial 5440
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Author Kuczumow, A.; Claes, M.; Schmeling, M.; Van Grieken, R.; de Gendt, S.
Title (down) Quantification problems in light element determination by grazing emission X-ray fluorescence Type A1 Journal article
Year 2000 Publication Journal of analytical atomic spectrometry Abbreviated Journal
Volume 15 Issue Pages 415-421
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000086323700017 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0267-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:27592 Serial 8437
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Author Heyvaert, W.; Pedrazo-Tardajos, A.; Kadu, A.; Claes, N.; González-Rubio, G.; Liz-Marzán, L.M.; Albrecht, W.; Bals, S.
Title (down) Quantification of the Helical Morphology of Chiral Gold Nanorods Type A1 Journal article
Year 2022 Publication ACS materials letters Abbreviated Journal ACS Materials Lett.
Volume 4 Issue Pages 642-649
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Chirality in inorganic nanoparticles and nanostructures has gained increasing scientific interest, because of the possibility to tune their ability to interact differently with left- and right-handed circularly polarized light. In some cases, the optical activity is hypothesized to originate from a chiral morphology of the nanomaterial. However, quantifying the degree of chirality in objects with sizes of tens of nanometers is far from straightforward. Electron tomography offers the possibility to faithfully retrieve the three-dimensional morphology of nanomaterials, but only a qualitative interpretation of the morphology of chiral nanoparticles has been possible so far. We introduce herein a methodology that enables us to quantify the helicity of complex chiral nanomaterials, based on the geometrical properties of a helix. We demonstrate that an analysis at the single particle level can provide significant insights into the origin of chiroptical properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000784490000013 Publication Date 2022-03-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2639-4979 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 11 Open Access OpenAccess
Notes S.B. and A.P.-T. gratefully acknowledge funding by the European Research Council (ERC Consolidator Grant #815128-REALNANO) the European Union’s Horizon 2020 research and innovation program under grant agreement #823717ESTEEM3. L.M.L.-M. acknowledges funding from MCIN/ AEI /10.13039/501100011033, grant # PID2020- 117779RB-I00 and the Maria de Maeztu Units of Excellence Program from the Spanish State Research Agency (Grant No. MDM-2017-0720). G.G.-R. thanks the Spanish Spanish Ministerio de Ciencia e Innovación for an FPI (BES-2014- 068972) fellowship.; SygmaSB; esteem3reported; esteem3jra Approved Most recent IF: NA
Call Number EMAT @ emat @c:irua:186959 Serial 6956
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