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Author Stefan Löffler; Matthieu Bugnet; Nicolas Gauquelin; Sorin Lazar; Elias Assmann; Karsten Held; Gianluigi A. Botton; Peter Schattschneider
  Title Real-space mapping of electronic orbitals Type A1 Journal article
  Year 2017 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
  Volume 177 Issue 177 Pages 26-29
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (down) Electronic states are responsible for most material properties, including chemical bonds, electrical and thermal conductivity, as well as optical and magnetic properties. Experimentally, however, they remain mostly elusive. Here, we report the real-space mapping of selected transitions between p and d states on the Ångström scale in bulk rutile (TiO2) using electron energy-loss spectrometry (EELS), revealing information on individual bonds between atoms. On the one hand, this enables the experimental verification of theoretical predictions about electronic states. On the other hand, it paves the way for directly investigating electronic states under conditions that are at the limit of the current capabilities of numerical simulations such as, e.g., the electronic states at defects, interfaces, and quantum dots.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000401219800004 Publication Date 2017-01-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0304-3991 ISBN Additional Links UA library record
  Impact Factor 2.843 Times cited Open Access Not_Open_Access
  Notes ; St.L. thanks Walid Hetaba for discussions about WIEN2k. St.L. and P.S. thank Ralf Hambach and Ute Kaiser for many valuable discussions. M.B. thanks Vienna University of Technology for travel support. St.L. and P.S. acknowledge financial support by the Austrian Science Fund (FWF) under grant number 1543-N20, SFB F45 FOXSI; St.L. also acknowledges financial support by the Austrian Science Fund (FWF) under grant number J3732-N27. M.B., N.G., S.L. and G.A.B. performed the experimental work at the Canadian Center for Electron Microscopy, a national facility supported by McMaster University and the Natural Sciences and Engineering Research Council of Canada (NSERC). G.A.B. is grateful to NSERC for supporting this work. ; Approved Most recent IF: 2.843
  Call Number EMAT @ emat @ c:irua:142201 Serial 4539
Permanent link to this record
 
 
Author Verbeeck, J.; Bals, S.; Lamoen, D.; Luysberg, M.; Huijben, M.; Rijnders, G.; Brinkman, A.; Hilgenkamp, H.; Blank, D.H.A.; Van Tendeloo, G.
  Title Electronic reconstruction at n-type SrTiO3/LaAlO3 interfaces Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 81 Issue 8 Pages 085113,1-085113,6
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (down) Electron-energy-loss spectroscopy (EELS) is used to investigate single layers of LaAlO3 grown on SrTiO3 having an n-type interface as well as multilayers of LaAlO3 and SrTiO3 in which both n- and p-type interfaces occur. Only minor changes in Ti valence at the n-type interface are observed. This finding seems to contradict earlier experiments for other SrTiO3/LaAlO3 systems where large deviations in Ti valency were assumed to be responsible for the conductivity of these interfaces. Ab initio calculations have been carried out in order to interpret our EELS results. Using the concept of Bader charges, it is demonstrated that the so-called polar discontinuity is mainly resolved by lattice distortions and to a far lesser extent by changes in valency for both single layer and multilayer geometries.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000275053300040 Publication Date 2010-02-18
  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 25 Open Access
  Notes Esteem 026019; Fwo Approved Most recent IF: 3.836; 2010 IF: 3.774
  Call Number UA @ lucian @ c:irua:81768UA @ admin @ c:irua:81768 Serial 1005
Permanent link to this record
 
 
Author Clark, L.; Guzzinati, G.; Béché, A.; Lubk, A.; Verbeeck, J.
  Title Symmetry-constrained electron vortex propagation Type A1 Journal article
  Year 2016 Publication Physical review A Abbreviated Journal Phys Rev A
  Volume 93 Issue 93 Pages 063840
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (down) Electron vortex beams hold great promise for development in transmission electron microscopy but have yet to be widely adopted. This is partly due to the complex set of interactions that occur between a beam carrying orbital angular momentum (OAM) and a sample. Herein, the system is simplified to focus on the interaction between geometrical symmetries, OAM, and topology. We present multiple simulations alongside experimental data to study the behavior of a variety of electron vortex beams after interacting with apertures of different symmetries and investigate the effect on their OAM and vortex structure, both in the far field and under free-space propagation.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000378197200006 Publication Date 2016-06-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9926 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.925 Times cited 7 Open Access
  Notes L.C., A.B., G.G., and J.V. acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant No. 278510—VORTEX. J.V. and A.L. acknowledge financial support from the European Union through the 7th Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative (Reference No. 312483 ESTEEM2). The Qu-Ant-EM microscope was partly funded by the Hercules fund of the Flemish Government.; esteem2jra3; ECASJO; Approved Most recent IF: 2.925
  Call Number c:irua:134086 c:irua:134086 Serial 4090
Permanent link to this record
 
 
Author Susi, T.; Madsen, J.; Ludacka, U.; Mortensen, J.J.; Pennycook, T.J.; Lee, Z.; Kotakoski, J.; Kaiser, U.; Meyer, J.C.
  Title Efficient first principles simulation of electron scattering factors for transmission electron microscopy Type A1 Journal article
  Year 2019 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
  Volume 197 Issue 197 Pages 16-22
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (down) Electron microscopy is a powerful tool for studying the properties of materials down to their atomic structure. In many cases, the quantitative interpretation of images requires simulations based on atomistic structure models. These typically use the independent atom approximation that neglects bonding effects, which may, however, be measurable and of physical interest. Since all electrons and the nuclear cores contribute to the scattering potential, simulations that go beyond this approximation have relied on computationally highly demanding all-electron calculations. Here, we describe a new method to generate ab initio electrostatic potentials when describing the core electrons by projector functions. Combined with an interface to quantitative image simulations, this implementation enables an easy and fast means to model electron scattering. We compare simulated transmission electron microscopy images and diffraction patterns to experimental data, showing an accuracy equivalent to earlier all-electron calculations at a much lower computational cost.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000456311700003 Publication Date 2018-11-12
  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 3 Open Access
  Notes Approved Most recent IF: 2.843
  Call Number UA @ admin @ c:irua:165938 Serial 6296
Permanent link to this record
 
 
Author Yu, M.Y.; Yu, W.; Chen, Z.Y.; Zhang, J.; Yin, Y.; Cao, L.H.; Lu, P.X.; Xu, Z.Z.
  Title Electron acceleration by an intense short-pulse laser in underdense plasma Type A1 Journal article
  Year 2003 Publication Physics of plasmas Abbreviated Journal Phys Plasmas
  Volume 10 Issue 6 Pages 2468-2474
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract (down) Electron acceleration from the interaction of an intense short-pulse laser with low density plasma is considered. The relation between direct electron acceleration within the laser pulse and that in the wake is investigated analytically. The magnitude and location of the ponderomotive-force-caused charge separation field with respect to that of the pulse determine the relative effectiveness of the two acceleration mechanisms. It is shown that there is an optimum condition for acceleration in the wake. Electron acceleration within the pulse dominates as the pulse becomes sufficiently short, and the latter directly drives and even traps the electrons. The latter can reach ultrahigh energies and can be extracted by impinging the pulse on a solid target. (C) 2003 American Institute of Physics.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Woodbury, N.Y. Editor
  Language Wos 000183316500031 Publication Date 2003-05-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1070-664X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.115 Times cited 41 Open Access
  Notes Approved Most recent IF: 2.115; 2003 IF: 2.146
  Call Number UA @ lucian @ c:irua:103293 Serial 904
Permanent link to this record
 
 
Author Hendrickx, M.; Paulus, A.; Kirsanova, M.A.; Van Bael, M.K.; Abakumov, A.M.; Hardy, A.; Hadermann, J.
  Title The influence of synthesis method on the local structure and electrochemical properties of Li-rich/Mn-rich NMC cathode materials for Li-Ion batteries Type A1 Journal article
  Year 2022 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
  Volume 12 Issue 13 Pages 2269-18
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract (down) Electrochemical energy storage plays a vital role in combating global climate change. Nowadays lithium-ion battery technology remains the most prominent technology for rechargeable batteries. A key performance-limiting factor of lithium-ion batteries is the active material of the positive electrode (cathode). Lithium- and manganese-rich nickel manganese cobalt oxide (LMR-NMC) cathode materials for Li-ion batteries are extensively investigated due to their high specific discharge capacities (>280 mAh/g). However, these materials are prone to severe capacity and voltage fade, which deteriorates the electrochemical performance. Capacity and voltage fade are strongly correlated with the particle morphology and nano- and microstructure of LMR-NMCs. By selecting an adequate synthesis strategy, the particle morphology and structure can be controlled, as such steering the electrochemical properties. In this manuscript we comparatively assessed the morphology and nanostructure of LMR-NMC (Li1.2Ni0.13Mn0.54Co0.13O2) prepared via an environmentally friendly aqueous solution-gel and co-precipitation route, respectively. The solution-gel (SG) synthesized material shows a Ni-enriched spinel-type surface layer at the {200} facets, which, based on our post-mortem high-angle annual dark-field scanning transmission electron microscopy and selected-area electron diffraction analysis, could partly explain the retarded voltage fade compared to the co-precipitation (CP) synthesized material. In addition, deviations in voltage fade and capacity fade (the latter being larger for the SG material) could also be correlated with the different particle morphology obtained for both materials.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000824547500001 Publication Date 2022-07-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2079-4991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.3 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 5.3
  Call Number UA @ admin @ c:irua:189591 Serial 7098
Permanent link to this record
 
 
Author Luo, Y.; He, Y.; Ding, Y.; Zuo, L.; Zhong, C.; Ma, Y.; Sun, M.
  Title Defective biphenylene as high-efficiency hydrogen evolution catalysts Type A1 Journal article
  Year 2023 Publication Inorganic chemistry Abbreviated Journal
  Volume 63 Issue 2 Pages 1136-1141
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract (down) Electrocatalysts play a pivotal role in advancing the application of water splitting for hydrogen production. This research unveils the potential of defective biphenylenes as high-efficiency catalysts for the hydrogen evolution reaction. Using first-principles simulations, we systematically investigated the structure, stability, and catalytic performance of defective biphenylenes. Our findings unveil that defect engineering significantly enhances the electrocatalytic activity for hydrogen evolution. Specifically, biphenylene with a double-vacancy defect exhibits an outstanding Gibbs free energy of -0.08 eV, surpassing that of Pt, accompanied by a remarkable exchange current density of -3.08 A cm(-2), also surpassing that of Pt. Furthermore, we find the preference for the Volmer-Heyrovsky mechanism in the hydrogen evolution reaction, with a low energy barrier of 0.80 eV. This research provides a promising avenue for developing novel metal-free electrocatalysts for water splitting with earth-abundant carbon elements, making a significant step toward sustainable hydrogen production.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001143581300001 Publication Date 2023-12-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record
  Impact Factor 4.6 Times cited Open Access
  Notes Approved Most recent IF: 4.6; 2023 IF: 4.857
  Call Number UA @ admin @ c:irua:202780 Serial 9018
Permanent link to this record
 
 
Author Kocabas, T.; Ozden, A.; Demiroglu, I.; Cakir, D.; Sevik, C.
  Title Determination of Dynamically Stable Electrenes toward Ultrafast Charging Battery Applications Type A1 Journal article
  Year 2018 Publication The journal of physical chemistry letters Abbreviated Journal
  Volume 9 Issue 15 Pages 4267-4274
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract (down) Electrenes, an atomically thin form of layered electrides, are very recent members of the 2D materials family. In this work, we employed first principle calculations to determine stable, exfoliatable, and application-promising 2D electrene materials among possible M2X compounds, where M is a group II-A metal and X is a nonmetal element (C, N, P, As, and Sb). The promise of stable electrene compounds for battery applications is assessed via their exfoliation energy, adsorption properties, and migration energy barriers toward relevant Li, Na, K, and Ca atoms. Our calculations revealed five new stable electrene candidates in addition to previously known Ca2N and Sr2N. Among these seven dynamically stable electrenes, Ba2As, Ba2P, Ba2Sb, Ca2N, Sr2N, and Sr2P are found to be very promising for either K or Na ion batteries due to their extremely low migration energy barriers (5-16 meV), which roughly demonstrates 105 times higher mobility than graphene and two to four times higher mobility than other promising 2D materials such as MXene (Mo2C).
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000440956500020 Publication Date 2018-07-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1948-7185 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:193765 Serial 7779
Permanent link to this record
 
 
Author Delvaux, A.; Lumbeeck, G.; Idrissi, H.; Proost, J.
  Title Effect of microstructure and internal stress on hydrogen absorption into Ni thin film electrodes during alkaline water electrolysis Type A1 Journal article
  Year 2020 Publication Electrochimica Acta Abbreviated Journal Electrochim Acta
  Volume 340 Issue Pages 135970-10
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (down) Efforts to improve the cell efficiency of hydrogen production by water electrolysis continue to address the electrochemical kinetics of the oxygen and hydrogen evolution reactions in detail. The objective of this work is to study a parasitic reaction occurring during the hydrogen evolution reaction (HER), namely the absorption of hydrogen atoms into the bulk electrode. Effects of the electrode microstructure and internal stress on this reaction have been addressed as well in this paper. Ni thin film samples were deposited on a Si substrate by sputter deposition with different deposition pressures, resulting in different microstructures and varying levels of internal stress. These microstructures were first analyzed in detail by Transmission Electron Microscopy (TEM). Cathodic chrono-amperometric measurements and cyclic voltammetries have then been performed in a homemade electrochemical cell. These tests were coupled to a multi-beam optical sensor (MOS) in order to obtain in-situ curvature measurements during hydrogen absorption. Indeed, since hydrogen absorption in the thin film geometry results in a constrained volume expansion, internal stress generation during HER can be monitored by means of curvature measurements. Our results show that different levels of internal stress, grain size and twin boundary density can be obtained by varying the deposition parameters. From an electrochemical point of view, this paper highlights the fact that the electrochemical surface mechanisms during HER are the same for all the electrodes, regardless of their microstructure. However it is shown that the absolute amount of hydrogen being absorbed into the Ni thin films increases when the grain size is reduced, due to a higher grain boundaries density which are favourite absorption sites for hydrogen. At the same time, it was concluded that H-2 evolution is favoured at electrodes having a more compressive (i.e. a less tensile) internal stress. Finally, the subtle effect of microstructure on the hydrogen absorption rate will be discussed as well. (C) 2020 Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000521531800011 Publication Date 2020-02-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0013-4686 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.6 Times cited 2 Open Access Not_Open_Access
  Notes ; The authors gratefully acknowledge financial support of the Public Service of Wallonia e Department of Energy and Sustainable Building, through the project WallonHY. The ACOM-TEM work was supported by the Hercules Foundation [Grant No. AUHA13009], the Flemish Research Fund (FWO) [Grant No. G.0365.15 N], and the Flemish Strategic Initiative for Materials (SIM) under the project InterPoCo. We also like to cordially thank Ronny Santoro for carrying out the ICP-OES measurements. ; Approved Most recent IF: 6.6; 2020 IF: 4.798
  Call Number UA @ admin @ c:irua:168536 Serial 6497
Permanent link to this record
 
 
Author Karaaslan, Y.; Haskins, J.B.; Yapicioglu, H.; Sevik, C.
  Title Influence of randomly distributed vacancy defects on thermal transport in two-dimensional group-III nitrides Type A1 Journal article
  Year 2021 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
  Volume 129 Issue 22 Pages 224304
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract (down) Efficient thermal transport control is a fundamental issue for electronic device applications such as information, communication, and energy storage technologies in modern electronics in order to achieve desired thermal conditions. Structural defects in materials provide a mechanism to adjust the thermal transport properties of these materials on demand. In this context, the effect of structural defects on lattice thermal conductivities of two-dimensional hexagonal binary group-III nitride (XN, X = B, Al, and Ga) semiconductors is systematically investigated by means of classical molecular dynamics simulations performed with recently developed transferable inter-atomic potentials accurately describing defect energies. Here, two different Green-Kubo based approaches and another approach based on non-equilibrium molecular dynamics are compared in order to get an overall understanding. Our investigation clearly shows that defect concentrations of 3% decrease the thermal conductivity of systems containing these nitrites up to 95%. Results hint that structural defects can be used as effective adjustment parameters in controlling thermal transport properties in device applications associated with these materials. Published under an exclusive license by AIP Publishing.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000692024300001 Publication Date 2021-06-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.068 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 2.068
  Call Number UA @ admin @ c:irua:181618 Serial 8096
Permanent link to this record
 
 
Author Wang, Y.-T.; Wu, S.-M.; Luo, G.-Q.; Tian, G.; Wang, L.-Y.; Xiao, S.-T.; Wu, J.-X.; Wu, A.; Wu, K.-J.; Lenaerts, S.; Yang, X.-Y.
  Title A core-shell confined Pd@TS-1 @meso-SiO2 catalyst and its synergy effect on styrene oxidation Type A1 Journal article
  Year 2023 Publication Applied catalysis : A : general Abbreviated Journal
  Volume 650 Issue Pages 119016-6
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract (down) Dual active sites from acidic zeolite and Pd are not only capable of catalyzing multiple type of reactions, but could also generate unique functions owing to the synergy between metals and acidic sites. However, there are only a few reports on the investigation of the synergy of acid/Pd dual sites in TS-1. Herein, TS-1 confined Pd catalyst with mesoporous silica shell (Pd@TS-1 @meso-SiO2) has been successfully synthesized and its synergy effect contributes to the enhanced conversion rate (19.2%) and selectivity (74.7%) on styrene oxidation. The interaction between Pd and TS-1 has been investigated by EPR and 1H NMR techniques, the experimental measurements show an obvious change in the signal distribution of weakly acidic terminal hydroxyls and hydrogen-bonding silanols. The schematic illustration of selective styrene oxidation in the model of Pd@TS-1 @meso-SiO2 is proposed to clarify the synergistic effect on styrene oxidation between TS-1 and Pd nanoparticles at an atomic-/nanoscale.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001015700000001 Publication Date 2022-12-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0926-860x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.5 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 5.5; 2023 IF: 4.339
  Call Number UA @ admin @ c:irua:197805 Serial 8826
Permanent link to this record
 
 
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 (down) 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.
  Address
  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
Permanent link to this record
 
 
Author Lucena, D.; Galván Moya, J.E.; Ferreira, W.P.; Peeters, F.M.
  Title Single-file and normal diffusion of magnetic colloids in modulated channels Type A1 Journal article
  Year 2014 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E
  Volume 89 Issue 3 Pages 032306-32309
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract (down) Diffusive properties of interacting magnetic dipoles confined in a parabolic narrow channel and in the presence of a periodic modulated (corrugated) potential along the unconfined direction are studied using Brownian dynamics simulations. We compare our simulation results with the analytical result for the effective diffusion coefficient of a single particle by Festa and d'Agliano [Physica A 90, 229 (1978)] and show the importance of interparticle interaction on the diffusion process. We present results for the diffusion of magnetic dipoles as a function of linear density, strength of the periodic modulation and commensurability factor.
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor
  Language Wos 000333646400005 Publication Date 2014-03-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.366 Times cited 5 Open Access
  Notes ; This work was supported by CNPq, CAPES, FUNCAP (Pronex grant), the Flemish Science Foundation (FWO-Vl), the collaborative program CNPq-FWO-Vl, and the Brazilian program Science Without Borders (CsF). D. Lucena acknowledges fruitful discussions with W. A. Munoz, V. F. Becerra, E. C. Euan-Diaz, and M. R. Masir. ; Approved Most recent IF: 2.366; 2014 IF: 2.288
  Call Number UA @ lucian @ c:irua:116865 Serial 3020
Permanent link to this record
 
 
Author Lucena, D.; Tkachenko, D.V.; Nelissen, K.; Misko, V.R.; Ferreira, W.P.; Farias, G.A.; Peeters, F.M.
  Title Transition from single-file to two-dimensional diffusion of interacting particles in a quasi-one-dimensional channel Type A1 Journal article
  Year 2012 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E
  Volume 85 Issue 3:1 Pages 031147-031147,12
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract (down) Diffusive properties of a monodisperse system of interacting particles confined to a quasi-one-dimensional channel are studied using molecular dynamics simulations. We calculate numerically the mean-squared displacement (MSD) and investigate the influence of the width of the channel (or the strength of the confinement potential) on diffusion in finite-size channels of different shapes (i.e., straight and circular). The transition from single-file diffusion to the two-dimensional diffusion regime is investigated. This transition [ regarding the calculation of the scaling exponent (alpha) of the MSD <Delta x(2)(t)> proportional to t(alpha)] as a function of the width of the channel is shown to change depending on the channel's confinement profile. In particular, the transition can be either smooth (i.e., for a parabolic confinement potential) or rather sharp (i.e., for a hard-wall potential), as distinct from infinite channels where this transition is abrupt. This result can be explained by qualitatively different distributions of the particle density for the different confinement potentials.
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor
  Language Wos 000302117900003 Publication Date 2012-03-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.366 Times cited 38 Open Access
  Notes ; This work was supported by CNPq, FUNCAP (Pronex grant), the “Odysseus” program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), the bilateral program between Flanders and Brazil, and the collaborative program CNPq-FWO-Vl. ; Approved Most recent IF: 2.366; 2012 IF: 2.313
  Call Number UA @ lucian @ c:irua:97784 Serial 3699
Permanent link to this record
 
 
Author Lu, W.; Cui, W.; Zhao, W.; Lin, W.; Liu, C.; Van Tendeloo, G.; Sang, X.; Zhao, W.; Zhang, Q.
  Title In situ atomistic insight into magnetic metal diffusion across Bi0.5Sb1.5Te3 quintuple layers Type A1 Journal article
  Year 2022 Publication Advanced Materials Interfaces Abbreviated Journal Adv Mater Interfaces
  Volume Issue Pages 2102161
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (down) Diffusion and occupancy of magnetic atoms in van der Waals (VDW) layered materials have significant impact on applications such as energy storage, thermoelectrics, catalysis, and topological phenomena. However, due to the weak VDW bonding, most research focus on in-plane diffusion within the VDW gap, while out-of-plane diffusion has rarely been reported. Here, to investigate out-of-plane diffusion in VDW-layered Bi2Te3-based alloys, a Ni/Bi0.5Sb1.5Te3 heterointerface is synthesized by depositing magnetic Ni metal on a mechanically exfoliated Bi0.5Sb1.5Te3 (0001) substrate. Diffusion of Ni atoms across the Bi0.5Sb1.5Te3 quintuple layers is directly observed at elevated temperatures using spherical-aberration-corrected scanning transmission electron microscopy (STEM). Density functional theory calculations demonstrate that the diffusion energy barrier of Ni atoms is only 0.31-0.45 eV when they diffuse through Te-3(Bi, Sb)(3) octahedron chains. Atomic-resolution in situ STEM reveals that the distortion of the Te-3(Bi, Sb)(3) octahedron, induced by the Ni occupancy, drives the formation of coherent NiM (M = Bi, Sb, Te) at the heterointerfaces. This work can lead to new strategies to design novel thermoelectric and topological materials by introducing magnetic dopants to VDW-layered materials.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000751742300001 Publication Date 2022-02-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2196-7350 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.4 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 5.4
  Call Number UA @ admin @ c:irua:186421 Serial 6960
Permanent link to this record
 
 
Author Philippaerts, A.; Paulussen, S.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Poelman, H.; Bulut, M.; de Clippel, F.; Smeets, P.; Sels, B.; Jacobs, P.
  Title Selectivity in sorption and hydrogenation of methyl oleate and elaidate on MFI zeolites Type A1 Journal article
  Year 2010 Publication Journal of catalysis Abbreviated Journal J Catal
  Volume 270 Issue 1 Pages 172-184
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract (down) Different zeolites were tested for selective removal of methyl elaidate (trans isomer) from an equimolar mixture with methyl oleate (cis isomer). Sorption experiments of the geometric isomers show that only ZSM-5 samples with reduced Al content in the framework are able to discriminate among the bent cis and the linear trans fatty acid methyl esters. Hydrogenation experiments of equimolar methyl oleate and elaidate mixtures at low temperature (65 °C) and high hydrogen pressure (6.0 MPa), using Pt catalysts, confirm this result. Only with a Pt/NaZSM-5 catalyst outspoken selectivity for the hydrogenation of the trans isomer is obtained. In order to prepare a selective Pt/ZSM-5 catalyst, the influence of Pt addition (impregnation, ion-exchange and competitive ion-exchange) and Pt activation (different calcination and reduction temperatures) on the Pt-distribution and Pt particle size was investigated using SEM, bright-field and HR TEM, EDX, electron tomography, CO-chemisorption, XPS, XRD, and UVvis measurements. The best result in terms of hydrogenation activity and selectivity is obtained with a Pt/ZSM-5 catalyst, which is prepared via competitive ion-exchange, followed by slow calcination up to 350 °C under high O2 flow and a reduction up to 500 °C under H2. This preparation method leads to a Pt/ZSM-5 catalyst with the best Pt distribution and the smallest Pt clusters occluded in the zeolite structure. Finally, the influence of zeolite crystal size, morphology, and elemental composition of ZSM-5 on hydrogenation activity and selectivity was investigated in detail.
  Address
  Corporate Author Thesis
  Publisher Place of Publication San Diego, Calif. Editor
  Language Wos 000275966100021 Publication Date 2010-01-28
  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 24 Open Access
  Notes FWO; IAP-IV; Methusalem Approved Most recent IF: 6.844; 2010 IF: 5.415
  Call Number UA @ lucian @ c:irua:82435 Serial 2970
Permanent link to this record
 
 
Author Belov, I.; Vanneste, J.; Aghaee, M.; Paulussen, S.; Bogaerts, A.
  Title Synthesis of Micro- and Nanomaterials in CO2and CO Dielectric Barrier Discharges: Synthesis of Micro- and Nanomaterials… Type A1 Journal article
  Year 2017 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
  Volume 14 Issue 14 Pages 1600065
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract (down) Dielectric Barrier Discharges operating in CO and CO2 form solid products at atmospheric pressure. The main differences between both plasmas and their deposits were analyzed, at similar energy input. GC measurements revealed a mixture of CO2, CO, and O2 in the CO2 DBD exhaust, while no O2 was found in the CO plasma. A coating of nanoparticles composed of Fe, O, and C was produced by the CO2 discharge, whereas, a microscopic dendrite-like carbon structure was formed in the CO plasma. Fe3O4 and Fe crystalline phases were found in the CO2 sample. The CO

deposition was characterized as an amorphous structure, close to polymeric CO (p-CO). Interestingly, p-CO is not formed in the CO2 plasma, in spite of the significant amounts of CO produced (up to 30% in the reactor exhaust).
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000397476000007 Publication Date 2016-07-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.846 Times cited 10 Open Access Not_Open_Access
  Notes European Union Seventh Framework Programme FP7-PEOPLE-2013-ITN, 606889 ; Approved Most recent IF: 2.846
  Call Number PLASMANT @ plasmant @ c:irua:141759 Serial 4487
Permanent link to this record
 
 
Author Yedukondalu, N.; Pandey, T.; Roshan, S.C.R.
  Title Effect of hydrostatic pressure on lone pair activity and phonon transport in Bi₂O₂S Type A1 Journal article
  Year 2023 Publication ACS applied energy materials Abbreviated Journal
  Volume 6 Issue 4 Pages 2401-2411
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract (down) Dibismuth dioxychalcogenides, Bi2O2Ch (Ch = S, Se, Te), are a promising class of materials for next-generation electronics and thermoelectrics due to their ultrahigh carrier mobility and excellent air stability. An interesting member of this family is Bi2O2S, which has a stereochemically active 6s2 lone pair of Bi3+ cations, heterogeneous bonding, and a high mass contrast between its constituent elements. In the present study, we have used first-principles calculations in combination with Boltzmann transport theory to systematically investigate the effect of hydrostatic pressure on lattice dynamics and phonon transport properties of Bi2O2S. We found that the ambient Pnmn phase has a low average lattice thermal conductivity (kappa l) of 1.71 W/(m K) at 300 K. We also predicted that Bi2O2S undergoes a structural phase transition from a low-symmetry (Pnmn) to a high-symmetry (I4/mmm) structure at around 4 GPa due to centering of Bi3+ cations with pressure. Upon compression, the lone pair activity of Bi3+ cations is suppressed, which increases kappa l by almost 3 times to 4.92 W/ (m K) at 5 GPa for the I4/mmm phase. The computed phonon lifetimes and Gru''neisen parameters show that anharmonicity decreases with increasing pressure due to further suppression of the lone pair activity and strengthening of intra-and intermolecular interactions, leading to an average room-temperature kappa l of 12.82 W/(m K) at 20 GPa. Overall, this study provides a comprehensive understanding of the effect of hydrostatic pressure on the stereochemical activity of the lone pair of Bi3+ cations and its implications on the phonon transport properties of Bi2O2S.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000929103700001 Publication Date 2023-02-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2574-0962 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.4 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 6.4; 2023 IF: NA
  Call Number UA @ admin @ c:irua:195245 Serial 7300
Permanent link to this record
 
 
Author Van Eynde, E.; Lenaerts, B.; Tytgat, T.; Verbruggen, S.W.; Hauchecorne, B.; Blust, R.; Lenaerts, S.
  Title Effect of pretreatment and temperature on the properties of Pinnularia biosilica frustules Type A1 Journal article
  Year 2014 Publication RSC advances Abbreviated Journal Rsc Adv
  Volume 4 Issue Pages 56200-56206
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract (down) Diatoms are unicellular microalgae that self-assemble an intricate porous silica cell wall, called frustule. Diatom frustules possess a unique combination of physical and chemical properties (chemical inertness, high mechanical strength, large surface area, low density, good porosity and highly ordered features on the nano-to-micro scale) making diatom frustules suited for many nanotechnological applications. For most proposed applications the organic material covering the frustules needs to be removed. In this paper we investigate the effect of different frustule cleaning methods (drying, autoclavation, SDS/EDTA treatment, H2O2 treatment and HNO3 treatment) and subsequent heat treatment at different temperatures (105 °C, 350 °C, 550 °C and 750 °C) on the material characteristics of the diatom Pinnularia sp. Material characteristics under study are morphology, surface area, pore size, elemental composition and organic content. The cleaned Pinnularia frustules are subsequently investigated as adsorbents to remove methylene blue (MB) from aqueous solution.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000344997800060 Publication Date 2014-10-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2046-2069 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.108 Times cited 10 Open Access
  Notes ; ; Approved Most recent IF: 3.108; 2014 IF: 3.840
  Call Number UA @ admin @ c:irua:121377 Serial 5945
Permanent link to this record
 
 
Author Lukyanchuk, I.; Vinokur, V.M.; Rydh, A.; Xie, R.; Milošević, M.V.; Welp, U.; Zach, M.; Xiao, Z.L.; Crabtree, G.W.; Bending, S.J.; Peeters, F.M.; Kwok, W.K.
  Title Rayleigh instability of confined vortex droplets in critical superconductors Type A1 Journal article
  Year 2015 Publication Nature physics Abbreviated Journal Nat Phys
  Volume 11 Issue 11 Pages 21-25
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract (down) Depending on the Ginzburg-Landau parameter kappa, superconductors can either be fully diamagnetic if kappa < 1/root 2 (type I superconductors) or allow magnetic flux to penetrate through Abrikosov vortices if kappa > 1/root 2 (type II superconductors; refs 1,2). At the Bogomolny critical point, kappa = kappa(c) = 1/root 2, a state that is infinitely degenerate with respect to vortex spatial configurations arises(3,4). Despite in-depth investigations of conventional type I and type II superconductors, a thorough understanding of the magnetic behaviour in the near-Bogomolny critical regime at kappa similar to kappa(c) remains lacking. Here we report that in confined systems the critical regime expands over a finite interval of kappa forming a critical superconducting state. We show that in this state, in a sample with dimensions comparable to the vortex core size, vortices merge into a multi-quanta droplet, which undergoes Rayleigh instability(5) on increasing kappa and decays by emitting single vortices. Superconducting vortices realize Nielsen-Olesen singular solutions of the Abelian Higgs model, which is pervasive in phenomena ranging from quantum electrodynamics to cosmology(6-9). Our study of the transient dynamics of Abrikosov-Nielsen-Olesen vortices in systems with boundaries promises access to non-trivial effects in quantum field theory by means of bench-top laboratory experiments.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000346831100018 Publication Date 2014-11-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1745-2473;1745-2481; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 22.806 Times cited 20 Open Access
  Notes ; We would like to thank N. Nekrasov for illuminating discussions. The work was supported by the US Department of Energy, Office of Science Materials Sciences and Engineering Division (V.M.V., W.K.K., U.W., R.X., M.Z., Z.L.X., G.W.C. and partially I.L. through the Materials Theory Institute), by FP7-IRSES-SIMTECH and ITN-NOTEDEV programs (I.L.), and by the Flemish Science Foundation (FWO-Vlaanderen) (M.V.M. and F.M.P.). ; Approved Most recent IF: 22.806; 2015 IF: 20.147
  Call Number c:irua:122791 c:irua:122791 Serial 2815
Permanent link to this record
 
 
Author Cai, Y.; Michiels, R.; De Luca, F.; Neyts, E.; Tu, X.; Bogaerts, A.; Gerrits, N.
  Title Improving Molecule–Metal Surface Reaction Networks Using the Meta-Generalized Gradient Approximation: CO2Hydrogenation Type A1 Journal Article
  Year 2024 Publication The Journal of Physical Chemistry C Abbreviated Journal J. Phys. Chem. C
  Volume 128 Issue 21 Pages 8611-8620
  Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
  Abstract (down) Density functional theory is widely used to gain insights into molecule−metal surface reaction networks, which is important for a better understanding of catalysis. However, it is well-known that generalized gradient approximation (GGA)

density functionals (DFs), most often used for the study of reaction networks, struggle to correctly describe both gas-phase molecules and metal surfaces. Also, GGA DFs typically underestimate reaction barriers due to an underestimation of the selfinteraction energy. Screened hybrid GGA DFs have been shown to reduce this problem but are currently intractable for wide usage. In this work, we use a more affordable meta-GGA (mGGA) DF in combination with a nonlocal correlation DF for the first time to study and gain new insights into a catalytically important surface

reaction network, namely, CO2 hydrogenation on Cu. We show that the mGGA DF used, namely, rMS-RPBEl-rVV10, outperforms typical GGA DFs by providing similar or better predictions for metals and molecules, as well as molecule−metal surface adsorption

and activation energies. Hence, it is a better choice for constructing molecule−metal surface reaction networks.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 2024-05-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447 ISBN Additional Links
  Impact Factor 3.7 Times cited Open Access
  Notes H2020 Marie Sklodowska-Curie Actions, 813393 ; Fonds Wetenschappelijk Onderzoek, 1114921N ; H2020 European Research Council, 810182 ; Nederlandse Organisatie voor Wetenschappelijk Onderzoek, 019.202EN.012 ; Approved Most recent IF: 3.7; 2024 IF: 4.536
  Call Number PLASMANT @ plasmant @ Serial 9248
Permanent link to this record
 
 
Author Lubk, A.; Javon, E.; Cherkashin, N.; Reboh, S.; Gatel, C.; Hytch, M.
  Title Dynamic scattering theory for dark-field electron holography of 3D strain fields Type A1 Journal article
  Year 2014 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
  Volume 136 Issue Pages 42-49
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (down) Dark-held electron holography maps strain in crystal lattices into reconstructed phases over large fields of view. Here we investigate the details of the lattice strain-reconstructed phase relationship by applying dynamic scattering theory both analytically and numerically. We develop efficient analytic linear projection rules for 3D strain fields, facilitating a straight-forward calculation of reconstructed phases from 3D strained materials. They are used in the following to quantify the influence of various experimental parameters like strain magnitude, specimen thickness, excitation error and surface relaxation. (C) 2013 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000327884700006 Publication Date 2013-07-29
  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 18 Open Access
  Notes European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative (Reference312483 – ESTEEM2); esteem2_jra4 Approved Most recent IF: 2.843; 2014 IF: 2.436
  Call Number UA @ lucian @ c:irua:112836 Serial 766
Permanent link to this record
 
 
Author Zhang, Y.; van Schayck, J.P.; Pedrazo-Tardajos, A.; Claes, N.; Noteborn, W.E.M.; Lu, P.-H.; Duimel, H.; Dunin-Borkowski, R.E.; Bals, S.; Peters, P.J.; Ravelli, R.B.G.
  Title Charging of vitreous samples in cryogenic electron microscopy mitigated by graphene Type A1 Journal article
  Year 2023 Publication ACS nano Abbreviated Journal
  Volume 17 Issue 16 Pages 15836-15846
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract (down) Cryogenic electronmicroscopy can provide high-resolution reconstructionsof macromolecules embedded in a thin layer of ice from which atomicmodels can be built de novo. However, the interactionbetween the ionizing electron beam and the sample results in beam-inducedmotion and image distortion, which limit the attainable resolutions.Sample charging is one contributing factor of beam-induced motionsand image distortions, which is normally alleviated by including partof the supporting conducting film within the beam-exposed region.However, routine data collection schemes avoid strategies wherebythe beam is not in contact with the supporting film, whose rationaleis not fully understood. Here we characterize electrostatic chargingof vitreous samples, both in imaging and in diffraction mode. We mitigatesample charging by depositing a single layer of conductive grapheneon top of regular EM grids. We obtained high-resolution single-particleanalysis (SPA) reconstructions at 2 & ANGS; when the electron beamonly irradiates the middle of the hole on graphene-coated grids, usingdata collection schemes that previously failed to produce sub 3 & ANGS;reconstructions without the graphene layer. We also observe that theSPA data obtained with the graphene-coated grids exhibit a higher b factor and reduced particle movement compared to dataobtained without the graphene layer. This mitigation of charging couldhave broad implications for various EM techniques, including SPA andcryotomography, and for the study of radiation damage and the developmentof future sample carriers. Furthermore, it may facilitate the explorationof more dose-efficient, scanning transmission EM based SPA techniques.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001041649900001 Publication Date 2023-08-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record
  Impact Factor 17.1 Times cited Open Access OpenAccess
  Notes We thank H. Nguyen for editing the manuscript. We warmly thank the M4i Microscopy CORE Lab team of FHML Maastricht University (MU) for their support and collaboration and Eve Timlin and Ye Gao (MU) for providing protein samples. Members of the Amsterdam Scientific Instruments team are acknowledged for their Timepix detector support. This work benefited from access to The Netherlands Centre for Electron Nanoscopy (NeCEN) with assistance from Ludovic Renault and Meindert Lamers. The authors acknowledge financial support of the Netherlands Electron Microscopy Infrastructure (NEMI), project number 184.034.014 of the National Roadmap for Large-Scale Research Infrastructure of the Dutch Research Council (NWO), the PPP Allowance made available by Health-Holland, Top Sector Life Sciences & Health, to stimulate public-private partnerships, project 4DEM, number LSHM21029, and the LINK program from the Province of Limburg, The Netherlands, as well as financial support from the European Commission under the Horizon 2020 Programme by grant no. 815128 (REALNANO). Approved Most recent IF: 17.1; 2023 IF: 13.942
  Call Number UA @ admin @ c:irua:198376 Serial 8840
Permanent link to this record
 
 
Author Yang, S.; Wang, C.; Sahin, H.; Chen, H.; Li, Y.; Li, S.S.; Suslu, A.; Peeters, F.M.; Liu, Q.; Li, J.; Tongay, S.;
  Title Tuning the optical, magnetic, and electrical properties of ReSe2 by nanoscale strain engineering Type A1 Journal article
  Year 2015 Publication Nano letters Abbreviated Journal Nano Lett
  Volume 15 Issue 15 Pages 1660-1666
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract (down) Creating materials with ultimate control over their physical properties is vital for a wide range of applications. From a traditional materials design perspective, this task often requires precise control over the atomic composition and structure. However, owing to their mechanical properties, low-dimensional layered materials can actually withstand a significant amount of strain and thus sustain elastic deformations before fracture. This, in return, presents a unique technique for tuning their physical properties by strain engineering. Here, we find that local strain induced on ReSe2, a new member of the transition metal dichalcogenides family, greatly changes its magnetic, optical, and electrical properties. Local strain induced by generation of wrinkle (1) modulates the optical gap as evidenced by red-shifted photoluminescence peak, (2) enhances light emission, (3) induces magnetism, and (4) modulates the electrical properties. The results not only allow us to create materials with vastly different properties at the nanoscale, but also enable a wide range of applications based on 2D materials, including strain sensors, stretchable electrodes, flexible field-effect transistors, artificial-muscle actuators, solar cells, and other spintronic, electromechanical, piezoelectric, photonic devices.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington Editor
  Language Wos 000351188000033 Publication Date 2015-02-02
  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 314 Open Access
  Notes ; This work is supported by Arizona State University, Research Seeding Program, the National Natural Science Foundation of China (91233120), and the National Basic Research Program of China (2011CB921901). Q., Liu acknowledges the support to this work by NSFC (10974037), NBRPC (2010CB934102), and the CAS Strategy Pilot program (XDA 09020300). S. Yang acknowledges financial support from China Postdoctoral Science Foundation (No. 2013M540127). ; Approved Most recent IF: 12.712; 2015 IF: 13.592
  Call Number c:irua:125480 Serial 3758
Permanent link to this record
 
 
Author Khaletskaya, K.; Turner, S.; Tu, M.; Wannapaiboon, S.; Schneemann, A.; Meyer, R.; Ludwig, A.; Van Tendeloo, G.; Fischer, R.A.
  Title Self-directed localization of ZIF-8 thin film formation by conversion of ZnO nanolayers Type A1 Journal article
  Year 2014 Publication Advanced functional materials Abbreviated Journal Adv Funct Mater
  Volume 24 Issue 30 Pages 4804-4811
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract (down) Control of localized metal-organic framework (MOF) thin film formation is a challenge. Zeolitic imidazolate frameworks (ZIFs) are an important sub-class of MOFs based on transition metals and imidazolate linkers. Continuous coatings of intergrown ZIF crystals require high rates of heterogeneous nucleation. In this work, substrates coated with zinc oxide layers are used, obtained by atomic layer deposition (ALD) or by magnetron sputtering, to provide the Zn2+ ions required for nucleation and localized growth of ZIF-8 films ([Zn(mim)(2)]; Hmim = 2-methylimidazolate). The obtained ZIF-8 films reveal the expected microporosity, as deduced from methanol adsorption studies using an environmentally controlled quartz crystal microbalance (QCM) and comparison with bulk ZIF-8 reference data. The concept is transferable to other MOFs, and is applied to the formation of [Al(OH)(1,4-ndc)](n) (ndc = naphtalenedicarboxylate) thin films derived from Al2O3 nanolayers.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000340549900010 Publication Date 2014-05-07
  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 77 Open Access
  Notes 312483 Esteem2; Fwo; esteem2_ta Approved Most recent IF: 12.124; 2014 IF: 11.805
  Call Number UA @ lucian @ c:irua:119215 Serial 2975
Permanent link to this record
 
 
Author Nicolas-Boluda, A.; Yang, Z.; Dobryden, I.; Carn, F.; Winckelmans, N.; Pechoux, C.; Bonville, P.; Bals, S.; Claesson, P.M.; Gazeau, F.; Pileni, M.P.
  Title Intracellular fate of hydrophobic nanocrystal self-assemblies in tumor cells Type A1 Journal article
  Year 2020 Publication Advanced Functional Materials Abbreviated Journal Adv Funct Mater
  Volume 30 Issue 40 Pages 2004274-15
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract (down) Control of interactions between nanomaterials and cells remains a biomedical challenge. A strategy is proposed to modulate the intralysosomal distribution of nanoparticles through the design of 3D suprastructures built by hydrophilic nanocrystals (NCs) coated with alkyl chains. The intracellular fate of two water-dispersible architectures of self-assembled hydrophobic magnetic NCs: hollow deformable shells (colloidosomes) or solid fcc particles (supraballs) is compared. These two self-assemblies display increased cellular uptake by tumor cells compared to dispersions of the water-soluble NC building blocks. Moreover, the self-assembly structures increase the NCs density in lysosomes and close to the lysosome membrane. Importantly, the structural organization of NCs in colloidosomes and supraballs are maintained in lysosomes up to 8 days after internalization, whereas initially dispersed hydrophilic NCs are randomly aggregated. Supraballs and colloidosomes are differently sensed by cells due to their different architectures and mechanical properties. Flexible and soft colloidosomes deform and spread along the biological membranes. In contrast, the more rigid supraballs remain spherical. By subjecting the internalized suprastructures to a magnetic field, they both align and form long chains. Overall, it is highlighted that the mechanical and topological properties of the self-assemblies direct their intracellular fate allowing the control intralysosomal density, ordering, and localization of NCs.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000559913300001 Publication Date 2020-08-27
  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 19 Times cited 11 Open Access Not_Open_Access
  Notes ; F.G. and M.P.P. contributed equally to this work. Dr. J. Teixeira from Laboratoire Leon Brillouin CEA Saclay is thanked for fruitful discussions on SAXS measurement. Dr. J.M. Guinier is thanked for cryoTEM experiments. A.N.-B. received a Ph.D. fellowship from the Institute thematique multi-organismes (ITMO) Cancer and the doctoral school Frontieres du Vivant (FdV)-Programme Bettencourt and the Fondation ARC pour la recherche sur le cancer. ; Approved Most recent IF: 19; 2020 IF: 12.124
  Call Number UA @ admin @ c:irua:171145 Serial 6551
Permanent link to this record
 
 
Author van der Sluijs, M.M.; Salzmann, B.B.V.; Arenas Esteban, D.; Li, C.; Jannis, D.; Brafine, L.C.; Laning, T.D.; Reinders, J.W.C.; Hijmans, N.S.A.; Moes, J.R.; Verbeeck, J.; Bals, S.; Vanmaekelbergh, D.
  Title Study of the Mechanism and Increasing Crystallinity in the Self-Templated Growth of Ultrathin PbS Nanosheets Type A1 Journal article
  Year 2023 Publication Chemistry of materials Abbreviated Journal
  Volume Issue Pages
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (down) Colloidal 2D semiconductor nanocrystals, the analogue of solid-state quantum wells, have attracted strong interest in material science and physics. Molar quantities of suspended quantum objects with spectrally pure absorption and emission can be synthesized. For the visible region, CdSe nanoplatelets with atomically precise thickness and tailorable emission have been (almost) perfected. For the near-infrared region, PbS nanosheets (NSs) hold strong promise, but the photoluminescence quantum yield is low and many questions on the crystallinity, atomic structure, intriguing rectangular shape, and formation mechanism remain to be answered. Here, we report on a detailed investigation of the PbS NSs prepared with a lead thiocyanate single source precursor. Atomically resolved HAADF-STEM imaging reveals the presence of defects and small cubic domains in the deformed orthorhombic PbS crystal lattice. Moreover, variations in thickness are observed in the NSs, but only in steps of 2 PbS monolayers. To study the reaction mechanism, a synthesis at a lower temperature allowed for the study of reaction intermediates. Specifically, we studied the evolution of pseudo-crystalline templates towards mature, crystalline PbS NSs. We propose a self-induced templating mechanism based on an oleylamine-lead-thiocyanate (OLAM-Pb-SCN) complex with two Pb-SCN units as a building block; the interactions between the long-chain ligands regulate the crystal structure and possibly the lateral dimensions.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000959572100001 Publication Date 2023-03-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.6 Times cited 2 Open Access OpenAccess
  Notes H2020 Research Infrastructures, 731019 ; H2020 European Research Council, 692691 815128 ; Nederlandse Organisatie voor Wetenschappelijk Onderzoek, 715.016.002 ; Approved Most recent IF: 8.6; 2023 IF: 9.466
  Call Number EMAT @ emat @c:irua:195894 Serial 7255
Permanent link to this record
 
 
Author Erbe, M.; Hänisch, J.; Hühne, R.; Freudenberg, T.; Kirchner, A.; Molina-Luna, L.; Damm, C.; Van Tendeloo, G.; Kaskel, S.; Schultz, L.; Holzapfel, B.
  Title BaHfO3artificial pinning centres in TFA-MOD-derived YBCO and GdBCO thin films Type A1 Journal article
  Year 2015 Publication Superconductor science and technology Abbreviated Journal Supercond Sci Tech
  Volume 28 Issue 28 Pages 114002
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (down) Chemical solution deposition (CSD) is a promising way to realize REBa2Cu3O7−x (REBCO;RE = rare earth (here Y, Gd))-coated conductors with high performance in applied magnetic fields. However, the preparation process contains numerous parameters which need to be tuned to achieve high-quality films. Therefore, we investigated the growth of REBCO thin films containing nanometre-scale BaHfO3 (BHO) particles as pinning centres for magnetic flux lines, with emphasis on the influence of crystallization temperature and substrate on the microstructure and superconductivity. Conductivity, microscopy and x-ray investigations show an enhanced performance of BHO nano-composites in comparison to pristine REBCO. Further, those measurements reveal the superiority of GdBCO to YBCO—e.g. by inductive critical current densities, Jc, at self-field and 77 K. YBCO is outperformed by more than 1 MA cm−2 with Jc values of up to 5.0 MA cm−2 for 265 nm thick layers of GdBCO(BHO) on lanthanum aluminate. Transport in-field Jc measurements demonstrate high pinning force maxima of around 4 GN m−3 for YBCO(BHO) and GdBCO(BHO). However, the irreversibility fields are appreciably higher for GdBCO. The critical temperature was not significantly reduced upon BHO addition to both YBCO and GdBCO, indicating a low tendency for Hf diffusion into the REBCO matrix. Angular-dependent Jc measurements show a reduction of the anisotropy in the same order of magnitude for both REBCO compounds. Theoretical models suggest that more than one sort of pinning centre is active in all CSD films.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000366193000003 Publication Date 2015-09-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0953-2048;1361-6668; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.878 Times cited 36 Open Access
  Notes Experimental work was mainly done at IFW Dresden. We thank Juliane Scheiter and Dr Jens Ingolf Mönch of IFW Dresden for technical assistance. The research leading to these results received funding from EUROTAPES, a collaborative project funded by the European Union Seventh Framework Programme (FP7/2007–2013) under grant agreement no. NMP-LA-2012-280 432. L Molina-Luna and G Van Tendeloo acknowledge funding from the European Research Council (ERC grant nr. 24 691-COUNTATOMS). Approved Most recent IF: 2.878; 2015 IF: 2.325
  Call Number c:irua:129200 Serial 3941
Permanent link to this record
 
 
Author Čevik, U.; Akbulut, S.; Makarovska, Y.; Van Grieken, R.
  Title Polarized-beam high-energy EDXRF in geological samples Type A1 Journal article
  Year 2013 Publication Spectroscopy letters Abbreviated Journal
  Volume 46 Issue 1 Pages 36-46
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract (down) Certified reference materials (NIST 1645, BCR 143, IAEA 7, BCR 141, NIESCRM02, and IAEA 375) were used for determining the performance of a secondary target energy-dispersive X-ray fluorescence (EDXRF) spectrometer, Epsilon 5 (PANalytical, Almelo, the Netherlands). For the evaluation of the EDXRF spectra with polarized-beam high-energy excitation, the WinAxil software package has been applied. The results showed that Epsilon 5, EDXRF spectrometry is favorable for the determination of elemental concentrations in geological samples, but the sample preparation has the largest influence on the precision. However, they presented good agreement with certified values for most of the elements.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000314018900005 Publication Date 2013-01-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0038-7010 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:106754 Serial 8392
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Author Spadaro, M.C.; Luches, P.; Bertoni, G.; Grillo, V.; Turner, S.; Van Tendeloo, G.; Valeri, S.; D'Addato, S.
  Title Influence of defect distribution on the reducibility of CeO2-x nanoparticles Type A1 Journal article
  Year 2016 Publication Nanotechnology Abbreviated Journal Nanotechnology
  Volume 27 Issue 27 Pages 425705
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (down) Ceria nanoparticles (NPs) are fundamental in heterogeneous catalysis because of their ability to store or release oxygen depending on the ambient conditions. Their oxygen storage capacity is strictly related to the exposed planes, crystallinity, density and distribution of defects. In this work a study of ceria NPs produced with a ligand-free, physical synthesis method is presented. The NP films were grown by a magnetron sputtering based gas aggregation source and studied by high resolution- and scanning-transmission electron microscopy and x-ray photoelectron spectroscopy. In particular, the influence of the oxidation procedure on the NP reducibility has been investigated. The different reducibility has been correlated to the exposed planes, crystallinity and density and distribution of structural defects. The results obtained in this work represent a basis to obtain cerium oxide NP with desired oxygen transport properties.
  Address Dipartimento FIM, Universita di Modena e Reggio Emilia, via G. Campi 213/a, I-41125 Modena, Italy. CNR-NANO, via G. Campi 213/a, I-41125 Modena, Italy
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language English Wos 000385483900004 Publication Date 2016-09-15
  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 11 Open Access
  Notes The authors gratefully acknowledge financial support by the Italian MIUR under grant FIRB RBAP115AYN (Oxides at the nanoscale: multifunctionality and applications). The activity is performed within the COST Action CM1104 'Reducible oxide chemistry, structure and functions'. The research leading to these results has received funding also from the European Union Seventh Framework Programme under Grant Agreement 312483—ESTEEM2 (Integrated Infrastructure Initiative–I3).; esteem2_ta Approved Most recent IF: 3.44
  Call Number EMAT @ emat @ c:irua:135424 Serial 4130
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