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| Author | Klimczuk, T.; Wang, C.H.; Lawrence, J.M.; Xu, Q.; Durakiewicz, T.; Ronning, F.; Llobet, A.; Trouw, F.; Kurita, N.; Tokiwa, Y.; Lee, H.o.; Booth, C.H.; Gardner, J.S.; Bauer, E.D.; Joyce, J.J.; Zandbergen, H.W.; Movshovich, R.; Cava, R.J.; Thompson, J.D.; | ||||
| Title | Crystal fields, disorder, and antiferromagnetic short-range order in Yb0.24Sn0.76Ru | Type | A1 Journal article | ||
| Year | 2011 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 84 | Issue | 7 | Pages | 075152-075152,8 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract  |
We report extensive measurements on a new compound (Yb0.24Sn0.76)Ru that crystallizes in the cubic CsCl structure. Valence-band photoemission (PES) and L3 x-ray absorption show no divalent component in the 4f configuration of Yb. Inelastic neutron scattering (INS) indicates that the eight-fold degenerate J-multiplet of Yb3+ is split by the crystalline electric field (CEF) into a Γ7-doublet ground state and a Γ8 quartet at an excitation energy 20 meV. The magnetic susceptibility can be fit very well by this CEF scheme under the assumption that a Γ6-excited state resides at 32 meV; however, the Γ8/Γ6 transition expected at 12 meV was not observed in the INS. The resistivity follows a Bloch-Grüneisen law shunted by a parallel resistor, as is typical of systems subject to phonon scattering with no apparent magnetic scattering. All of these properties can be understood as representing simple local moment behavior of the trivalent Yb ion. At 1 K there is a peak in specific heat that is too broad to represent a magnetic-phase transition, consistent with absence of magnetic reflections in neutron diffraction. On the other hand this peak also is too narrow to represent the Kondo effect in the Γ7-doublet ground state. On the basis of the field dependence of the specific heat, we argue that antiferromagnetic (AF) short-range order (SRO) (possibly coexisting with Kondo physics) occurs at low temperatures. The long-range magnetic order is suppressed because the Yb site occupancy is below the percolation threshold for this disordered compound. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000293830800003 | Publication Date | 2011-08-15 | |
| 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 | 8 | Open Access | |
| Notes | Esteem 026019 | Approved | Most recent IF: 3.836; 2011 IF: 3.691 | ||
| Call Number | UA @ lucian @ c:irua:92427 | Serial | 555 | ||
| Permanent link to this record | |||||
| Author | Gou, H.; Tsirlin, A.A.; Bykova, E.; Abakumov, A.M.; Van Tendeloo, G.; Richter, A.; Ovsyannikov, S.V.; Kurnosov, A.V.; Trots, D.M.; Konôpková, Z.; Liermann, H.P.; Dubrovinsky, L.; Dubrovinskaia, N.; | ||||
| Title | Peierls distortion, magnetism, and high hardness of manganese tetraboride | Type | A1 Journal article | ||
| Year | 2014 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 89 | Issue | 6 | Pages | 064108-64109 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We report crystal structure, electronic structure, and magnetism of manganese tetraboride, MnB4, synthesized under high-pressure, high-temperature conditions. In contrast to superconducting FeB4 and metallic CrB4, which are both orthorhombic, MnB4 features a monoclinic crystal structure. Its lower symmetry originates from a Peierls distortion of the Mn chains. This distortion nearly opens the gap at the Fermi level, but despite the strong dimerization and the proximity of MnB4 to the insulating state, we find indications for a sizable paramagnetic effective moment of about 1.7 mu(B)/f.u., ferromagnetic spin correlations, and, even more surprisingly, a prominent electronic contribution to the specific heat. However, no magnetic order has been observed in standard thermodynamic measurements down to 2 K. Altogether, this renders MnB4 a structurally simple but microscopically enigmatic material; we argue that its properties may be influenced by electronic correlations. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000332405000002 | Publication Date | 2014-02-24 | |
| 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 | 39 | Open Access | |
| Notes | Approved | Most recent IF: 3.836; 2014 IF: 3.736 | |||
| Call Number | UA @ lucian @ c:irua:115819 | Serial | 2571 | ||
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| Author | Araizi-Kanoutas, G.; Geessinck, J.; Gauquelin, N.; Smit, S.; Verbeek, X.H.; Mishra, S.K.; Bencok, P.; Schlueter, C.; Lee, T.-L.; Krishnan, D.; Fatermans, J.; Verbeeck, J.; Rijnders, G.; Koster, G.; Golden, M.S. | ||||
| Title | Co valence transformation in isopolar LaCoO3/LaTiO3 perovskite heterostructures via interfacial engineering | Type | A1 Journal article | ||
| Year | 2020 | Publication | Physical review materials | Abbreviated Journal | Phys. Rev. Materials |
| Volume | 4 | Issue | 2 | Pages | 026001 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We report charge transfer up to a single electron per interfacial unit cell across nonpolar heterointerfaces from the Mott insulator LaTiO3 to the charge transfer insulator LaCoO3. In high-quality bi- and trilayer systems grown using pulsed laser deposition, soft x-ray absorption, dichroism, and scanning transmission electron microscopy-electron energy loss spectroscopy are used to probe the cobalt-3d electron count and provide an element-specific investigation of the magnetic properties. The experiments show the cobalt valence conversion is active within 3 unit cells of the heterointerface, and able to generate full conversion to 3d7 divalent Co, which displays a paramagnetic ground state. The number of LaTiO3/LaCoO3 interfaces, the thickness of an additional, electronically insulating “break” layer between the LaTiO3 and LaCoO3, and the LaCoO3 film thickness itself in trilayers provide a trio of control knobs for average charge of the cobalt ions in LaCoO3, illustrating the efficacy of O−2p band alignment as a guiding principle for property design in complex oxide heterointerfaces. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000513551200007 | Publication Date | 2020-02-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2475-9953 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.4 | Times cited | 13 | Open Access | OpenAccess |
| Notes | Nederlandse Organisatie voor Wetenschappelijk Onderzoek; Universiteit Antwerpen; Horizon 2020, 730872 ; Department of Science and Technology, Ministry of Science and Technology, SR/NM/Z-07/2015 ; Jawaharlal Nehru Centre for Advanced Scientific Research; | Approved | Most recent IF: 3.4; 2020 IF: NA | ||
| Call Number | EMAT @ emat @c:irua:167787 | Serial | 6376 | ||
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| Author | Kalkert, C.; Krisponeit, J.-O.; Esseling, M.; Lebedev, O.I.; Moshnyaga, V.; Damaschke, B.; Van Tendeloo, G.; Samwer, K. | ||||
| Title | Resistive switching at manganite/manganite interfaces | Type | A1 Journal article | ||
| Year | 2011 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
| Volume | 99 | Issue | 13 | Pages | 132512-132512,3 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We report bipolar resistive switching between the interfaces of manganite nanocolumns. La0.7Sr0.3MnO3 films were prepared on Al2O3 substrates, where the films grow in nanocolumns from the substrate to the surface. Conductive atomic force microscopy directly detects that the resistive switching is located at the boundaries of the grains. Furthermore, mesoscopic transport measurements reveal a tunnel magnetoresistance. In combination with the resistive switching, this leads to a total of four different resistive states. | ||||
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| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000295618000052 | Publication Date | 2011-09-29 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.411 | Times cited | 10 | Open Access | |
| Notes | Approved | Most recent IF: 3.411; 2011 IF: 3.844 | |||
| Call Number | UA @ lucian @ c:irua:91884 | Serial | 2881 | ||
| Permanent link to this record | |||||
| Author | Gonnissen, J.; de Backer, A.; den Dekker, A.J.; Martinez, G.T.; Rosenauer, A.; Sijbers, J.; Van Aert, S. | ||||
| Title | Optimal experimental design for the detection of light atoms from high-resolution scanning transmission electron microscopy images | Type | A1 Journal article | ||
| Year | 2014 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
| Volume | 105 | Issue | 6 | Pages | 063116 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab | ||||
| Abstract |
We report an innovative method to explore the optimal experimental settings to detect light atoms from scanning transmission electron microscopy (STEM) images. Since light elements play a key role in many technologically important materials, such as lithium-battery devices or hydrogen storage applications, much effort has been made to optimize the STEM technique in order to detect light elements. Therefore, classical performance criteria, such as contrast or signal-to-noise ratio, are often discussed hereby aiming at improvements of the direct visual interpretability. However, when images are interpreted quantitatively, one needs an alternative criterion, which we derive based on statistical detection theory. Using realistic simulations of technologically important materials, we demonstrate the benefits of the proposed method and compare the results with existing approaches. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000341188700073 | Publication Date | 2014-08-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951;1077-3118; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.411 | Times cited | 12 | Open Access | |
| Notes | FWO (G.0393.11; G.0064.10; and G.0374.13); European Union Seventh Framework Programme [FP7/2007-2013] under Grant Agreement No. 312483 (ESTEEM2); esteem2_jra2 | Approved | Most recent IF: 3.411; 2014 IF: 3.302 | ||
| Call Number | UA @ lucian @ c:irua:118333 | Serial | 2482 | ||
| Permanent link to this record | |||||
| Author | Jungbauer, M.; Huehn, S.; Egoavil, R.; Tan, H.; Verbeeck, J.; Van Tendeloo, G.; Moshnyaga, V. | ||||
| Title | Atomic layer epitaxy of Ruddlesden-Popper SrO(SrTiO3)n films by means of metalorganic aerosol deposition | Type | A1 Journal article | ||
| Year | 2014 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
| Volume | 105 | Issue | 25 | Pages | 251603 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We report an atomic layer epitaxial growth of Ruddlesden-Popper (RP) thin films of SrO(SrTiO3)(n) (n = infinity, 2, 3, 4) by means of metalorganic aerosol deposition (MAD). The films are grown on SrTiO3(001) substrates by means of a sequential deposition of Sr-O/Ti-O-2 atomic monolayers, monitored in-situ by optical ellipsometry. X-ray diffraction and transmission electron microscopy (TEM) reveal the RP structure with n = 2-4 in accordance with the growth recipe. RP defects, observed by TEM in a good correlation with the in-situ ellipsometry, mainly result from the excess of SrO. Being maximal at the film/substrate interface, the SrO excess rapidly decreases and saturates after 5-6 repetitions of the SrO(SrTiO3)(4) block at the level of 2.4%. This identifies the SrTiO3 substrate surface as a source of RP defects under oxidizing conditions within MAD. Advantages and limitations of MAD as a solution-based and vacuum-free chemical deposition route were discussed in comparison with molecular beam epitaxy. (C) 2014 AIP Publishing LLC. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000346914000007 | Publication Date | 2014-12-26 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951;1077-3118; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.411 | Times cited | 32 | Open Access | |
| Notes | 246102 IFOX; 278510 VORTEX; 246791 COUNTATOMS; Hercules; 312483 ESTEEM2; esteem2jra3 ECASJO; | Approved | Most recent IF: 3.411; 2014 IF: 3.302 | ||
| Call Number | UA @ lucian @ c:irua:122830UA @ admin @ c:irua:122830 | Serial | 172 | ||
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| Author | Groeneveld, E.; Witteman, L.; Lefferts, M.; Ke, X.; Bals, S.; Van Tendeloo, G.; de Mello Donega, C. | ||||
| Title | Tailoring ZnSe-CdSe colloidal quantum dots via cation exchange : from core/shell to alloy nanocrystals | Type | A1 Journal article | ||
| Year | 2013 | Publication | ACS nano | Abbreviated Journal | Acs Nano |
| Volume | 7 | Issue | 9 | Pages | 7913-7930 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We report a study of Zn2+ by Cd2+ cation exchange (CE) in colloidal ZnSe nanocrystals (NCs). Our results reveal that CE in ZnSe NCs is a thermally activated isotropic process. The CE efficiency (i.e., fraction of Cd2+ ions originally in solution, Cdsol, that is incorporated in the ZnSe NC) increases with temperature and depends also on the Cdsol/ZnSe ratio. Interestingly, the reaction temperature can be used as a sensitive parameter to tailor both the composition and the elemental distribution profile of the product (Zn,Cd)Se NCs. At 150 °C ZnSe/CdSe core/shell hetero-NCs (HNCs) are obtained, while higher temperatures (200 and 220 °C) produce (Zn1xCdx)Se gradient alloy NCs, with increasingly smoother gradients as the temperature increases, until homogeneous alloy NCs are obtained at T ≥ 240 °C. Remarkably, sequential heating (150 °C followed by 220 °C) leads to ZnSe/CdSe core/shell HNCs with thicker shells, rather than (Zn1xCdx)Se gradient alloy NCs. Thermal treatment at 250 °C converts the ZnSe/CdSe core/shell HNCs into (Zn1xCdx)Se homogeneous alloy NCs, while preserving the NC shape. A mechanism for the cation exchange in ZnSe NCs is proposed, in which fast CE takes place at the NC surface, and is followed by relatively slower thermally activated solid-state cation diffusion, which is mediated by Frenkel defects. The findings presented here demonstrate that cation exchange in colloidal ZnSe NCs provides a very sensitive tool to tailor the nature and localization regime of the electron and hole wave functions and the optoelectronic properties of colloidal ZnSeCdSe NCs. | ||||
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| Language | Wos | 000330016900051 | Publication Date | 2013-08-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1936-0851;1936-086X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 13.942 | Times cited | 153 | Open Access | |
| Notes | 262348 Esmi; 246791 Countatoms | Approved | Most recent IF: 13.942; 2013 IF: 12.033 | ||
| Call Number | UA @ lucian @ c:irua:110038 | Serial | 3469 | ||
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| Author | Robert, Hl.; Lobato, I.; Lyu, Fj.; Chen, Q.; Van Aert, S.; Van Dyck, D.; Müller-Caspary, K. | ||||
| Title | Dynamical diffraction of high-energy electrons investigated by focal series momentum-resolved scanning transmission electron microscopy at atomic resolution | Type | A1 Journal article | ||
| Year | 2022 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | 233 | Issue | Pages | 113425 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab | ||||
| Abstract |
We report a study of scattering dynamics in crystals employing momentum-resolved scanning transmission electron microscopy under varying illumination conditions. As we perform successive changes of the probe focus, multiple real-space signals are obtained in dependence of the shape of the incident electron wave. With support from extensive simulations, each signal is shown to be characterised by an optimum focus for which the contrast is maximum and which differs among different signals. For instance, a systematic focus mismatch is found between images formed by high-angle scattering, being sensitive to thickness and chemical composition, and the first moment in diffraction space, being sensitive to electric fields. It follows that a single recording at one specific probe focus is usually insufficient to characterise materials comprehensively. Most importantly, we demonstrate in experiment and simulation that the second moment ( |
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| Language | Wos | 000734396800009 | Publication Date | 2021-11-13 | |
| 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 | 2.2 | Times cited | Open Access | OpenAccess | |
| Notes | We thank Dr. Florian Winkler for valuable discussions and experimental work at the early stages of this study. This work was supported by the Initiative and Network Fund of the Helmholtz Association (Germany) under contracts VH-NG-1317 and ZT-I-0025. This project furthermore received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement No. 770887). | Approved | Most recent IF: 2.2 | ||
| Call Number | EMAT @ emat @c:irua:184833 | Serial | 6898 | ||
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| Author | Delville, R.; Schryvers, D. | ||||
| Title | Transmission electron microscopy study of combined precipitation of Ti2Ni(Pd) and Ti2Pd(Ni) in a Ti50Ni30Pd20 alloy | Type | A1 Journal article | ||
| Year | 2010 | Publication | Intermetallics | Abbreviated Journal | Intermetallics |
| Volume | 18 | Issue | 12 | Pages | 2353-2360 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We report a new mode of precipitation in a B19 martensitic Ti50Ni30Pd20 shape memory alloy consisting of a central Ti2Ni(Pd) precipitate surrounded by an austenite area containing Ti2Pd(Ni) precipitates. The morphology and crystallography of the precipitation area is investigated using conventional and high resolution electron microscopy. In particular, the orientation relationship and the coherency strain between the Ti2Pd(Ni) precipitate and the surrounding retained B2 matrix are discussed. A study of local composition in relation with a ternary phase diagram using X-ray energy dispersive spectroscopy with a nanoprobe gives evidences of the formation mechanism. | ||||
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| Publisher | Place of Publication | Chicago, Ill. | Editor | ||
| Language | Wos | 000284447500014 | Publication Date | 2010-09-04 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0966-9795; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.14 | Times cited | 9 | Open Access | |
| Notes | Multimat; Iap | Approved | Most recent IF: 3.14; 2010 IF: 2.335 | ||
| Call Number | UA @ lucian @ c:irua:84473 | Serial | 3714 | ||
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| Author | Nistor, L.C.; Ghica, C.; Van Tendeloo, G. | ||||
| Title | Mesoseopic ordering in the 0.9 Pb(Mg1/3Nb2/3)O3-0.1 PbTiO3 relaxor ferroelectric : a HRTEM study | Type | A1 Journal article | ||
| Year | 2007 | Publication | Physica status solidi: C: conferences and critical reviews | Abbreviated Journal | |
| Volume | 4 | Issue | 3 | Pages | 736-739 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We report a microstructural and compositional study of a 90% Pb(Mg1/3Nb2/3)O-3 – 10% PbTiO3 ceramic sample. High resolution transmission electron microscopy (HRTEM) revealed the presence of compositional ordered nano-domains (1 – 4 mn), observable in two specific orientations, [0 (1) over bar 1] and [1 1 (2) over bar]. However, the visibility and the ordering degree of the nano-domains on the HRTEM images are not at all obvious. Fourier filtering of the images clearly revealed the ordered domains. Antiphase boundaries lying in the (111) planes separate them, while (100) and (111) facets separate the ordered domains from the disordered matrix. Their shape is plate-like, not uniformly spread in the disordered matrix. Their average size varies in different regions of the sample, most probably due to a non-uniform distribution of Ti, as observed by energy dispersive X-ray spectroscopy. (c) 2007 WILEY-VCH Verlag GmbH Co. KGaA, Weinheim. | ||||
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| Publisher | Place of Publication | Berlin | Editor | ||
| Language | Wos | 000246104300008 | Publication Date | 2007-03-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1610-1634;1610-1642; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 2 | Open Access | ||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ lucian @ c:irua:94663 | Serial | 2004 | ||
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| Author | Theofanidis, S.A.; Galvita, V.V.; Poelman, H.; Dharanipragada, N.V.R.A.; Longo, A.; Meledina, M.; Van Tendeloo, G.; Detavernier, C.; Marin, G.B. | ||||
| Title | Fe-containing magnesium aluminate support for stability and carbon control during methane reforming | Type | A1 Journal article | ||
| Year | 2018 | Publication | ACS catalysis | Abbreviated Journal | Acs Catal |
| Volume | 8 | Issue | 7 | Pages | 5983-5995 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We report a MgFexAl2-xO4 synthetic spinel, where x varies from 0 to 0.26, as support for Ni-based catalysts, offering stability and carbon control under various conditions of methane reforming. By incorporation of Fe into a magnesium aluminate spine!, a support is created with redox functionality and high thermal stability, as concluded from temporal analysis of products (TAP) experiments and redox cycling, respectively. A diffusion coefficient of 3 x 10(-17) m(2) s(-1) was estimated for lattice oxygen at 993 K from TAP experiments. X-ray diffraction (XRD) and extended X-ray absorption fine structure (EXAFS) modeling identified that the incorporation of iron occurs as Fe3+ in the octahedral sites of the spinel lattice, replacing aluminum. Simulation of the X-ray absorption near edge structure (XANES) spectrum of the reduced support showed that 60 +/- 10% of iron was reduced from 3+ to 2+ at 1073 K, while there was no formation of metallic iron. A series of Ni/MgFexAl2-xO4 catalysts, where x varies from 0 to 0.26, was synthesized and reduced, yielding a supported Ni-Fe alloy. The evolution of the catalyst structure during H-2 temperature-programmed reduction (TPR) and CO2 temperature-programmed oxidation (TPO) was examined using time-resolved in situ XRD and XANES. During reforming, iron in both the support and alloy keeps control of carbon accumulation, as confirmed by O-2-TPO on the spent catalysts. By fine tuning the amount of Fe in MgFexAl2-xO4, a supported alloy was obtained with a Ni/Fe molar ratio of similar to 10, which was active for reforming and stable. By comparison of the performance of Ni-based catalysts with Fe either incorporated into or deposited onto the support, the location of Fe within the support proved crucial for the stability and carbon mitigation under reforming conditions. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000438475100034 | Publication Date | 2018-05-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2155-5435 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 10.614 | Times cited | 18 | Open Access | OpenAccess |
| Notes | ; This work was supported by the FAST industrialization by Catalyst Research and Development (FASTCARD) project, which is a Large Scale Collaborative Project supported by the European Commission in the 7th Framework Programme (GA no 604277), the “Long Term Structural Methusalem Funding by the Flemish Government”, the Interuniversity Attraction Poles Programme, IAP7/5, Belgian State – Belgian Science Policy, and the Fund for Scientific Research Flanders (FWO-Vlaanderen) in supplying financing of travel costs and beam time at the DUBBLE beamline of the ESRF. The authors acknowledge the assistance from the DUBBLE (ESRF, XAS campaign 26-01-1048) and ROCK staff (SOLEIL, proposal 201502561). The authors equally acknowledge support from a public grant overseen by the French National Research Agency (ANR) as part of the “Investissements d'Avenir” program (reference: ANR-10-EQPX-45) for the ROCK beamline and from Lukas Buelens and Rakesh Batchu (Laboratory for Chemical Technology, Ghent University) for the STEM measurements and TAP experiments, respectively. ; | Approved | Most recent IF: 10.614 | ||
| Call Number | UA @ lucian @ c:irua:153178 | Serial | 5102 | ||
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| Author | Van Aert, S.; de Backer, A.; Martinez, G.T.; Goris, B.; Bals, S.; Van Tendeloo, G.; Rosenauer, A. | ||||
| Title | Procedure to count atoms with trustworthy single-atom sensitivity | Type | A1 Journal article | ||
| Year | 2013 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 87 | Issue | 6 | Pages | 064107-6 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We report a method to reliably count the number of atoms from high-angle annular dark field scanning transmission electron microscopy images. A model-based analysis of the experimental images is used to measure scattering cross sections at the atomic level. The high sensitivity of these measurements in combination with a thorough statistical analysis enables us to count atoms with single-atom sensitivity. The validity of the results is confirmed by means of detailed image simulations. We will show that the method can be applied to nanocrystals of arbitrary shape, size, and atom type without the need for a priori knowledge about the atomic structure. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000315144700006 | Publication Date | 2013-02-20 | |
| 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 | 106 | Open Access | |
| Notes | FWO; 262348 ESMI; 312483 ESTEEM2;246791 COUNTATOMS; Hercules 3; esteem2_jra2 | Approved | Most recent IF: 3.836; 2013 IF: 3.664 | ||
| Call Number | UA @ lucian @ c:irua:105674 | Serial | 2718 | ||
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| Author | Nistor, L.; Bender, H.; Vantomme, A.; Wu, M.F.; van Landuyt, J.; O'Donnell, K.P.; Martin, R.; Jacobs, K.; Moerman, I. | ||||
| Title | Direct evidence of spontaneous quantum dot formation in a thick InGaN epilayer | Type | A1 Journal article | ||
| Year | 2000 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
| Volume | 77 | Issue | 4 | Pages | 507-509 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We report a direct observation of quantum dots formed spontaneously in a thick InGaN epilayer by high resolution transmission electron microscopy. Investigation of a (280 nm thick) In0.22Ga0.78N single layer, emitting in the blue/green spectral region, reveals quantum dots with estimated sizes in the range of 1.5-3 nm. Such sizes are in very good agreement with calculations based on the luminescence spectra of this specimen. (C) 2000 American Institute of Physics. [S0003-6951(00)00930-X]. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000088225400016 | Publication Date | 2002-07-26 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.411 | Times cited | 44 | Open Access | |
| Notes | Approved | Most recent IF: 3.411; 2000 IF: 3.906 | |||
| Call Number | UA @ lucian @ c:irua:103448 | Serial | 712 | ||
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| Author | Jorissen, B.; Covaci, L.; Partoens, B. | ||||
| Title | Comparative analysis of tight-binding models for transition metal dichalcogenides | Type | A1 Journal article | ||
| Year | 2024 | Publication | SciPost physics core | Abbreviated Journal | |
| Volume | 7 | Issue | 1 | Pages | 004-30 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract |
We provide a comprehensive analysis of the prominent tight-binding (TB) models for transition metal dichalcogenides (TMDs) available in the literature. We inspect the construction of these TB models, discuss their parameterization used and conduct a thorough comparison of their effectiveness in capturing important electronic properties. Based on these insights, we propose a novel TB model for TMDs designed for enhanced computational efficiency. Utilizing MoS2 as a representative case, we explain why specific models offer a more accurate description. Our primary aim is to assist researchers in choosing the most appropriate TB model for their calculations on TMDs. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001170769300001 | Publication Date | 2024-02-06 | |
| 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 | Not_Open_Access | ||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:202983 | Serial | 9012 | ||
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| Author | Verbruggen, S.W.; Keulemans, M.; Goris, B.; Blommaerts, N.; Bals, S.; Martens, J.A.; Lenaerts, S. | ||||
| Title | Plasmonic ‘rainbow’ photocatalyst with broadband solar light response for environmental applications | Type | A1 Journal article | ||
| Year | 2016 | Publication | Applied catalysis : B : environmental | Abbreviated Journal | Appl Catal B-Environ |
| Volume | 188 | Issue | 188 | Pages | 147-153 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract |
We propose the concept of a ‘rainbow’ photocatalyst that consists of TiO2 modified with gold-silver alloy nanoparticles of various sizes and compositions, resulting in a broad plasmon absorption band that covers the entire UV–vis range of the solar spectrum. It is demonstrated that this plasmonic ‘rainbow’ photocatalyst is 16% more effective than TiO2 P25 under both simulated and real solar light for pollutant degradation at the solid-gas interface. With this we provide a promising strategy to maximize the spectral response for solar to chemical energy conversion. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000372677500016 | Publication Date | 2016-02-03 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0926-3373 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.446 | Times cited | 47 | Open Access | OpenAccess |
| Notes | S.W.V. and B.G. acknowledge the Research Foundation—Flanders (FWO) for a postdoctoral fellowship. M.K. acknowledges IWT for the doctoral scholarship. S.B. acknowledges the European Research Council (ERC) for financial support through the ERC grant agreement no. 335078-COLOURATOM. J.A.M. acknowledges the Flemish government for long-term structural funding (Methusalem).; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); | Approved | Most recent IF: 9.446 | ||
| Call Number | c:irua:130995 | Serial | 4061 | ||
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| Author | Croitoru, M.D.; van Dyck, D.; Van Aert, S.; Bals, S.; Verbeeck, J. | ||||
| Title | An efficient way of including thermal diffuse scattering in simulation of scanning transmission electron microscopic images | Type | A1 Journal article | ||
| Year | 2006 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | 106 | Issue | 10 | Pages | 933-940 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Vision lab | ||||
| Abstract |
We propose an improved image simulation procedure for atomic-resolution annular dark-field scanning transmission electron microscopy (STEM) based on the multislice formulation, which takes thermal diffuse scattering fully into account. The improvement with regard to the classical frozen phonon approach is realized by separating the lattice configuration statistics from the dynamical scattering so as to avoid repetitive calculations. As an example, the influence of phonon scattering on the image contrast is calculated and investigated. STEM image simulation of crystals can be applied with reasonable computing times to problems involving a large number of atoms and thick or large supercells. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000240397200006 | Publication Date | 2006-05-10 | |
| 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 | Fwo; Fwo-V | Approved | Most recent IF: 2.843; 2006 IF: 1.706 | ||
| Call Number | UA @ lucian @ c:irua:87604UA @ admin @ c:irua:87604 | Serial | 876 | ||
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| Author | Chen, X.; Cao, S.; Ikeda, T.; Srivastava, V.; Snyder, G.J.; Schryvers, D.; James, R.D. | ||||
| Title | A weak compatibility condition for precipitation with application to the microstructure of PbTe-Sb2Te3 thermoelectrics | Type | A1 Journal article | ||
| Year | 2011 | Publication | Acta materialia | Abbreviated Journal | Acta Mater |
| Volume | 59 | Issue | 15 | Pages | 6124-6132 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We propose a weak condition of compatibility between phases applicable to cases exhibiting full or partial coherence and Widmanstätten microstructure. The condition is applied to the study of Sb2Te3 precipitates in a PbTe matrix in a thermoelectric alloy. The weak condition of compatibility predicts elongated precipitates lying on a cone determined by a transformation stretch tensor. Comparison of this cone with the long directions of precipitates determined by a slice-and-view method of scanning electron microscopy combined with focused ion beam sectioning shows good agreement between theory and experiment. A further study of the morphology of precipitates by the Eshelby method suggests that interfacial energy also plays a role and gives an approximate value of interfacial energy per unit area of 250 dyn cm−1. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000294086900026 | Publication Date | 2011-07-22 | |
| 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 | 8 | Open Access | |
| Notes | Approved | Most recent IF: 5.301; 2011 IF: 3.755 | |||
| Call Number | UA @ lucian @ c:irua:92388 | Serial | 3911 | ||
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| Author | De wael, A.; De Backer, A.; Jones, L.; Varambhia, A.; Nellist, P.D.; Van Aert, S. | ||||
| Title | Measuring Dynamic Structural Changes of Nanoparticles at the Atomic Scale Using Scanning Transmission Electron Microscopy | Type | A1 Journal article | ||
| Year | 2020 | Publication | Physical Review Letters | Abbreviated Journal | Phys Rev Lett |
| Volume | 124 | Issue | 10 | Pages | 106105 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We propose a new method to measure atomic scale dynamics of nanoparticles from experimental high-resolution annular dark field scanning transmission electron microscopy images. By using the so-called hidden Markov model, which explicitly models the possibility of structural changes, the number of atoms in each atomic column can be quantified over time. This newly proposed method outperforms the current atom-counting procedure and enables the determination of the probabilities and cross sections for surface diffusion. This method is therefore of great importance for revealing and quantifying the atomic structure when it evolves over time via adatom dynamics, surface diffusion, beam effects, or during in situ experiments. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000519718100015 | Publication Date | 2020-03-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0031-9007 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.6 | Times cited | Open Access | OpenAccess | |
| Notes | This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (Grant Agreement No. 770887 and No. 823717 ESTEEM3). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through grants to A.D.w. and A.D.B. and projects G.0502.18N and EOS 30489208. L.J. acknowledges the SFI AMBER Centre for support. A.V. and P.D.N. acknowledge the UK Engineering and Physical Sciences Council (EPSRC) for support (EP/K040375/1 and 1772738). A.V. also acknowledges Johnson-Matthey for support. We would like to thank Brian Theobald and Jonathan Sharman from JMTC Sonning for provision of the Pt sample. | Approved | Most recent IF: 8.6; 2020 IF: 8.462 | ||
| Call Number | EMAT @ emat @c:irua:167148 | Serial | 6347 | ||
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| Author | Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. | ||||
| Title | Ab initio study of shallow acceptors in bixbyite V2O3 | Type | A1 Journal article | ||
| Year | 2015 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
| Volume | 117 | Issue | 117 | Pages | 015703 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract |
We present the results of our study on p-type dopability of bixbyite V2O3 using the Heyd, Scuseria, and Ernzerhof hybrid functional (HSE06) within the density functional theory (DFT) formalism. We study vanadium and oxygen vacancies as intrinsic defects and substitutional Mg, Sc, and Y as extrinsic defects. We find that Mg substituting V acts as a shallow acceptor, and that oxygen vacancies are electrically neutral. Hence, we predict Mg-doped V2O3 to be a p-type conductor. Our results also show that vanadium vacancies are relatively shallow, with a binding energy of 0.14 eV, so that they might also lead to p-type conductivity. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000347958600067 | Publication Date | 2015-01-05 | |
| 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 | 3 | Open Access | |
| Notes | FWO G015013; Hercules | Approved | Most recent IF: 2.068; 2015 IF: 2.183 | ||
| Call Number | c:irua:122728 | Serial | 35 | ||
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| Author | Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B. | ||||
| Title | The quasiparticle band structure of zincblende and rocksalt ZnO | Type | A1 Journal article | ||
| Year | 2010 | Publication | Journal of physics : condensed matter | Abbreviated Journal | J Phys-Condens Mat |
| Volume | 22 | Issue | 12 | Pages | 125505,1-125505,7 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract |
We present the quasiparticle band structure of ZnO in its zincblende (ZB) and rocksalt (RS) phases at the Γ point, calculated within the GW approximation. The effect of the pd hybridization on the quasiparticle corrections to the band gap is discussed. We compare three systems, ZB-ZnO which shows strong pd hybridization and has a direct band gap, RS-ZnO which is also hybridized but includes inversion symmetry and therefore has an indirect band gap, and ZB-ZnS which shows a weaker hybridization due to a change of the chemical species from oxygen to sulfur. The quasiparticle corrections are calculated with different numbers of valence electrons in the Zn pseudopotential. We find that the Zn20 + pseudopotential is essential for the adequate treatment of the exchange interaction in the self-energy. The calculated GW band gaps are 2.47 eV and 4.27 eV respectively, for the ZB and RS phases. The ZB-ZnO band gap is underestimated compared to the experimental value of 3.27 by ~ 0.8 eV. The RS-ZnO band gap compares well with the experimental value of 4.5 eV. The underestimation for ZB-ZnO is correlated with the strong pd hybridization. The GW band gap for ZnS is 3.57 eV, compared to the experimental value of 3.8 eV. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000275496600010 | Publication Date | 2010-03-13 | |
| 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 | 53 | Open Access | |
| Notes | Iwt; Fwo; Bof-Nio | Approved | Most recent IF: 2.649; 2010 IF: 2.332 | ||
| Call Number | UA @ lucian @ c:irua:81531 | Serial | 2802 | ||
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| Author | Roxana Vlad, V.; Bartolome, E.; Vilardell, M.; Calleja, A.; Meledin, A.; Obradors, X.; Puig, T.; Ricart, S.; Van Tendeloo, G.; Usoskin, A.; Lee, S.; Petrykin, V.; Molodyk, A. | ||||
| Title | Inkjet printing multideposited YBCO on CGO/LMO/MgO/Y2O3/Al2O3/Hastelloy tape for 2G-coated conductors | Type | A1 Journal article | ||
| Year | 2018 | Publication | IEEE transactions on applied superconductivity | Abbreviated Journal | |
| Volume | 28 | Issue | 4 | Pages | 6601805 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We present the preparation of a new architecture of coated conductor by Inkjet printing of low fluorine YBa2Cu3O7-x (YBCO) on top of SuperOx tape: CGO/LMO/IBAD-MgO/Y2O3/Al-2 O-3/Hastelloy. A five-layered multideposited, 475-nm-thick YBCO film was structurally and magnetically characterized. A good texture was achieved using this combination of buffer layers, requiring only a 30-nm-thin ion-beam-assisted deposition (IBAD)-MgO layer. The LF-YBCO CC reaches self-field critical current density values of J(c)(GB) similar to NJ 15.9 MA/cm(2) (5 K), similar to 1.23 MA/cm(2) (77 K) corresponding to an I-c (77 K) = 58.4 A/cm-width. Inkjet printing offers a flexible and cost effective method for YBCO deposition, allowing patterning of structures. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | New York, N.Y. | Editor | ||
| Language | Wos | 000429010900001 | Publication Date | 2018-02-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1051-8223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.288 | Times cited | 2 | Open Access | Not_Open_Access |
| Notes | ; This work was performed within the framework of the EUROTAPES Project FP7-NMP.2011.2.2-1 under Grant280432, funded by the EU. ICMAB research was financed by the Ministry of Economy and Competitiveness, and FEDER funds under Projects MAT2011-28874-C02-01, MAT2014-51778-C2-1-R, ENE2014-56109-C3-3-R, and Consolider Nanoselect CSD2007-00041, and by Generalitat de Catalunya (2009 SGR 770, 2015 SGR 753, and Xarmae). ICMAB acknowledges support from Severo Ochoa Program (MINECO) under Grant SEV-2015-0496. ; | Approved | Most recent IF: NA | ||
| Call Number | UA @ lucian @ c:irua:150711 | Serial | 4971 | ||
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| Author | Leus, K.; Liu, Y.-Y.; Meledina, M.; Turner, S.; Van Tendeloo, G.; van der Voort, P. | ||||
| Title | A MoVI grafted metal organic framework : synthesis, characterization and catalytic investigations | Type | A1 Journal article | ||
| Year | 2014 | Publication | Journal of catalysis | Abbreviated Journal | J Catal |
| Volume | 316 | Issue | Pages | 201-209 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We present the post-modification of a gallium based Metal Organic Framework, COMOC-4, with a Mo-complex. The resulting Mo@COMOC-4 was characterized by means of N2 sorption, XRPD, DRIFT, TGA, XRF, XPS and TEM analysis. The results demonstrate that even at high Mo-complex loadings on the framework, no aggregation or any Mo or Mo oxide species are formed. Moreover, the Mo@COMOC-4 was evaluated as a catalyst in the epoxidation of cyclohexene, cyclooctene and cyclododecene employing TBHP in decane as oxidant. The post-modified COMOC-4 exhibits a very high selectivity toward the epoxide (up to 100%). Regenerability and stability tests have been carried out demonstrating that the catalyst can be recycled without leaching of Mo or loss of crystallinity. | ||||
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| Publisher | Place of Publication | San Diego, Calif. | Editor | ||
| Language | Wos | 000340853800020 | Publication Date | 2014-06-19 | |
| 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 | 36 | Open Access | |
| Notes | European Research Council under the Seventh Framework Program (FP7); ; ERC Grant No. 246791 – COUNTATOMS; Hercules; FWO | Approved | Most recent IF: 6.844; 2014 IF: 6.921 | ||
| Call Number | UA @ lucian @ c:irua:117416 | Serial | 3546 | ||
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| Author | Leus, K.; Dendooven, J.; Tahir, N.; Ramachandran, R.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Goeman, J.; Van der Eycken, J.; Detavernier, C.; Van Der Voort, P. | ||||
| Title | Atomic Layer Deposition of Pt Nanoparticles within the Cages of MIL-101: A Mild and Recyclable Hydrogenation Catalyst | Type | A1 Journal article | ||
| Year | 2016 | Publication | Nanomaterials | Abbreviated Journal | Nanomaterials-Basel |
| Volume | 6 | Issue | 6 | Pages | 45 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We present the in situ synthesis of Pt nanoparticles within MIL-101-Cr (MIL = Materials Institute Lavoisier) by means of atomic layer deposition (ALD). The obtained Pt@MIL-101 materials were characterized by means of N2 adsorption and X-ray powder diffraction (XRPD) measurements, showing that the structure of the metal organic framework was well preserved during the ALD deposition. X-ray fluorescence (XRF) and transmission electron microscopy (TEM) analysis confirmed the deposition of highly dispersed Pt nanoparticles with sizes determined by the MIL-101-Cr pore sizes and with an increased Pt loading for an increasing number of ALD cycles. The Pt@MIL-101 material was examined as catalyst in the hydrogenation of different linear and cyclic olefins at room temperature, showing full conversion for each substrate. Moreover, even under solvent free conditions, full conversion of the substrate was observed. A high concentration test has been performed showing that the Pt@MIL-101 is stable for a long reaction time without loss of activity, crystallinity and with very low Pt leaching. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000373533300009 | Publication Date | 2016-03-09 | |
| 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 | 3.553 | Times cited | 19 | Open Access | |
| Notes | Karen Leus acknowledges the financial support from the Ghent University “Bijzonder Onderzoeksfonds” BOF post-doctoral Grant 01P06813T and UGent “Geconcentreeerde Onderzoekacties” GOA Grant 01G00710. Jolien Dendooven and Stuart Turner gratefully acknowledges the “Fonds Wetenschappelijk Onderzoek” FWO Vlaanderen for a post-doctoral scholarship. Christophe Detavernier thanks the FWO Vlaanderen, BOF-UGent (GOA 01G01513) and the Hercules Foundation (AUGE/09/014) for financial support. The Titan microscope used for this investigation was partially funded by the Hercules foundation of the Flemish government. This work was supported by the “Belgian Interuniversitaire Attractie Pool-Pôle d'Attraction Interuniversitaire” IAP-PAI network. | Approved | Most recent IF: 3.553 | ||
| Call Number | c:irua:131902 | Serial | 4015 | ||
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| Author | Leus, K.; Concepcion, P.; Vandichel, M.; Meledina, M.; Grirrane, A.; Esquivel, D.; Turner, S.; Poelman, D.; Waroquier, M.; Van Speybroeck, V.; Van Tendeloo, G.; García, H.; Van Der Voort, P.; | ||||
| Title | Au@UiO-66 : a base free oxidation catalyst | Type | A1 Journal article | ||
| Year | 2015 | Publication | RSC advances | Abbreviated Journal | Rsc Adv |
| Volume | 5 | Issue | 5 | Pages | 22334-22342 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We present the in situ synthesis of Au nanoparticles within the Zr based Metal Organic Framework, UiO-66. The resulting Au@UiO-66 materials were characterized by means of N-2 sorption, XRPD, UV-Vis, XRF, XPS and TEM analysis. The Au nanoparticles (NP) are homogeneously distributed along the UiO-66 host matrix when using NaBH4 or H-2 as reducing agents. The Au@UiO-66 materials were evaluated as catalysts in the oxidation of benzyl alcohol and benzyl amine employing O-2 as oxidant. The Au@MOF materials exhibit a very high selectivity towards the ketone (up to 100%). Regenerability and stability tests demonstrate that the Au@UiO-66 catalyst can be recycled with a negligible loss of Au species and no loss of crystallinity. In situ IR measurements of UiO-66 and Au@UiO-66-NaBH4, before and after treatment with alcohol, showed an increase in IR bands that can be assigned to a combination of physisorbed and chemisorbed alcohol species. This was confirmed by velocity power spectra obtained from the molecular dynamics simulations. Active peroxo and oxo species on Au could be visualized with Raman analysis. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000350643700005 | Publication Date | 2015-02-19 | |
| 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 | 38 | Open Access | |
| Notes | FWO; Hercules; 246791 COUNTATOMS; IAP-PAI | Approved | Most recent IF: 3.108; 2015 IF: 3.840 | ||
| Call Number | c:irua:125431 | Serial | 207 | ||
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| Author | Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B. | ||||
| Title | Accurate pseudopotential description of the GW bandstructure of ZnO | Type | A1 Journal article | ||
| Year | 2011 | Publication | Computer physics communications | Abbreviated Journal | Comput Phys Commun |
| Volume | 182 | Issue | 9 | Pages | 2029-2031 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract |
We present the GW band structure of ZnO in its wurtzite (WZ), zincblende (ZB) and rocksalt (RS) phases at the Γ point, calculated within the GW approximation. We have used a Zn20+ pseudopotential which is essential for the adequate treatment of the exchange interaction in the self-energy. The accuracy of the pseudopotential used is also discussed. The effect of the pd hybridization on the GW corrections to the band gap is correlated by comparing the ZB and RS phase. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000292675100062 | Publication Date | 2011-02-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0010-4655; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.936 | Times cited | 18 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 3.936; 2011 IF: 3.268 | ||
| Call Number | UA @ lucian @ c:irua:90761 | Serial | 51 | ||
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| Author | van Aarle, W.; Palenstijn, W.J.; De Beenhouwer, J.; Altantzis, T.; Bals, S.; Batenburg, K.J.; Sijbers, J. | ||||
| Title | The ASTRA Toolbox: A platform for advanced algorithm development in electron tomography | Type | A1 Journal article | ||
| Year | 2015 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | 157 | Issue | 157 | Pages | 35-47 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab | ||||
| Abstract |
We present the ASTRA Toolbox as an open platform for 3D image reconstruction in tomography. Most of the software tools that are currently used in electron tomography offer limited flexibility with respect to the geometrical parameters of the acquisition model and the algorithms used for reconstruction. The ASTRA Toolbox provides an extensive set of fast and flexible building blocks that can be used to develop advanced reconstruction algorithms, effectively removing these limitations. We demonstrate this flexibility, the resulting reconstruction quality, and the computational efficiency of this toolbox by a series of experiments, based on experimental dual-axis tilt series. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | English | Wos | 000361002400005 | Publication Date | 2015-05-06 |
| 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 | 562 | Open Access | OpenAccess |
| Notes | The authors acknowledge financial support from the iMinds ICONMetroCT project,the IWT SBO Tom Food project and from the Netherlands Organisation for Scientific Research (NWO),Project no. 639.072.005. Networking support was provided by the EXTREMA COST Action MP 1207. Sara Bals acknowledges financial support from the European Research Council (ERC Starting Grant #335078 COLOURATOMS).; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); | Approved | Most recent IF: 2.843; 2015 IF: 2.436 | ||
| Call Number | c:irua:127834 | Serial | 3974 | ||
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| Author | Bertoni, G.; Verbeeck, J. | ||||
| Title | Accuracy and precision in model based EELS quantification | Type | A1 Journal article | ||
| Year | 2008 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | 108 | Issue | 8 | Pages | 782-790 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We present results on model based quantification of electron energy loss spectra (EELS), focusing on the factors that influence accuracy and precision in determining chemical concentrations. Several sources of systematical errors are investigated. The spectrometer entrance aperture determines the collection angle, and the effects of its position with respect to the transmitted beam are investigated, taking into account the diffraction by the crystal structure. The effect of the orientation of the sample is tested experimentally and theoretically on SrTiO3, and finally, a simulated experiment on c-BN at different thicknesses confirms the superior results of the model based method with respect to the conventional method. A test on a set of experimental reference compounds is presented, showing that remarkably good accuracy can be obtained. Recommendations are given to achieve high accuracy and precision in practice. (C) 2008 Elsevier B.V. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000258241900010 | Publication Date | 2008-02-22 | |
| 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 | 44 | Open Access | |
| Notes | Approved | Most recent IF: 2.843; 2008 IF: 2.629 | |||
| Call Number | UA @ lucian @ c:irua:70550UA @ admin @ c:irua:70550 | Serial | 42 | ||
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| Author | Joao, S.M.; Andelkovic, M.; Covaci, L.; Rappoport, T.G.; Lopes, J.M.V.P.; Ferreira, A. | ||||
| Title | KITE : high-performance accurate modelling of electronic structure and response functions of large molecules, disordered crystals and heterostructures | Type | A1 Journal article | ||
| Year | 2020 | Publication | Royal Society Open Science | Abbreviated Journal | Roy Soc Open Sci |
| Volume | 7 | Issue | 2 | Pages | 191809-191832 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract |
We present KITE, a general purpose open-source tight-binding software for accurate real-space simulations of electronic structure and quantum transport properties of large-scale molecular and condensed systems with tens of billions of atomic orbitals (N similar to 10(10)). KITE's core is written in C++, with a versatile Python-based interface, and is fully optimized for shared memory multi-node CPU architectures, thus scalable, efficient and fast. At the core of KITE is a seamless spectral expansion of lattice Green's functions, which enables large-scale calculations of generic target functions with uniform convergence and fine control over energy resolution. Several functionalities are demonstrated, ranging from simulations of local density of states and photo-emission spectroscopy of disordered materials to large-scale computations of optical conductivity tensors and real-space wave-packet propagation in the presence of magneto-static fields and spin-orbit coupling. On-the-fly calculations of real-space Green's functions are carried out with an efficient domain decomposition technique, allowing KITE to achieve nearly ideal linear scaling in its multi-threading performance. Crystalline defects and disorder, including vacancies, adsorbates and charged impurity centres, can be easily set up with KITE's intuitive interface, paving the way to user-friendly large-scale quantum simulations of equilibrium and non-equilibrium properties of molecules, disordered crystals and heterostructures subject to a variety of perturbations and external conditions. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000518020200001 | Publication Date | 2020-02-26 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2054-5703 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.5 | Times cited | 19 | Open Access | OpenAccess |
| Notes | ; T.G.R. and A.F. acknowledge support from the Newton Fund and the Royal Society through the Newton Advanced Fellowship scheme (ref. no. NA150043). M.A. and L.C. acknowledge support from the Trans2DTMD FlagEra project and the VSC (Flemish Supercomputer Center). A.F. acknowledges support from the Royal Society through a University Research Fellowship (ref. nos. UF130385 and URF-R-191021) and an Enhancement Award (ref. no. RGF-EA-180276). T.G.R. acknowledges the support from the Brazilian agencies CNPq and FAPERJ and COMPETE2020, PORTUGAL2020, FEDER and the Portuguese Foundation for Science and Technology (FCT) through project POCI-01-0145-FEDER-028114. S.M.J. is supported by Fundacao para a Ciencia e Tecnologia (FCT) under the grant no. PD/BD/142798/ 2018. S.M.J. and J.M.V.P.L. acknowledge financial support from the FCT, COMPETE 2020 programme in FEDER component (European Union), through projects POCI-01-0145-FEDER028887 and UID/FIS/04650/2013. S.M.J. and J.M.V.P.L. further acknowledge financial support from FCT through national funds, co-financed by COMPETE-FEDER (grant no. M-ERANET2/0002/2016 -UltraGraf) under the Partnership Agreement PT2020. ; | Approved | Most recent IF: 3.5; 2020 IF: 2.243 | ||
| Call Number | UA @ admin @ c:irua:167751 | Serial | 6556 | ||
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| Author | Mikita, R.; Aharen, T.; Yamamoto, T.; Takeiri, F.; Ya, T.; Yoshimune, W.; Fujita, K.; Yoshida, S.; Tanaka, K.; Batuk, D.; Abakumov, A.M.; Brown, C.M.; Kobayashi, Y.; Kageyama, H.; | ||||
| Title | Topochemical nitridation with anion vacancy -assisted N3-/O2- exchange | Type | A1 Journal article | ||
| Year | 2016 | Publication | Journal of the American Chemical Society | Abbreviated Journal | J Am Chem Soc |
| Volume | 138 | Issue | 138 | Pages | 3211-3217 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We present how the introduction of anion vacancies in oxyhydrides enables a route to access new oxynitrides, by conducting ammonolysis of perovskite oxyhydride EuTiO3-xHx (x similar to 0.18). At 400 degrees C, similar to our studies on BaTiO3-xHx, hydride lability enables a low temperature direct ammonolysis of EUTi3.82+O-2.82/H-0.18, leading to the N3-/H--exchanged product EuTi4+O2.82No0.12 square 0.06 center dot When the ammonolysis temperature was increased up to 800 degrees C, we observed a further nitridation involving N3-/O2- exchange, yielding a fully oxidized Eu3+Ti4+O2N with the GdFeO3-type distortion (Pnma) as a metastable phase, instead of pyrochlore structure. Interestingly, the same reactions using the oxide EuTiO3 proceeded through a 1:1 exchange of N3- with O-2 only above 600 degrees C and resulted in incomplete nitridation to EuTi02.25N0.75, indicating that anion vacancies created during the initial nitridation process of EuTiO2.82H0.18 play a crucial role in promoting anion (N3-/O2-) exchange at high temperatures. Hence, by using (hydride-induced) anion-deficient precursors, we should be able to expand the accessible anion composition of perovskite oxynitrides. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Washington, D.C. | Editor | ||
| Language | Wos | 000371945800055 | Publication Date | 2016-02-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0002-7863 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 13.858 | Times cited | 28 | Open Access | |
| Notes | Approved | Most recent IF: 13.858 | |||
| Call Number | UA @ lucian @ c:irua:133156 | Serial | 4266 | ||
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| Author | Verbeeck, J.; Bertoni, G.; Schattschneider, P. | ||||
| Title | The Fresnel effect of a defocused biprism on the fringes in inelastic holography | Type | A1 Journal article | ||
| Year | 2008 | Publication | Ultramicroscopy T2 – 16th International Microscopy Congress, SEP 03-08, 2006, Sapporo, JAPAN | Abbreviated Journal | Ultramicroscopy |
| Volume | 108 | Issue | 3 | Pages | 263-269 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We present energy filtered holography experiments on a thin foil of Al. By propagating the reduced density matrix of the probe electron through the microscope, we quantitatively predict the fringe contrast as a function of energy loss. Fringe contrast simulations include the effect of Fresnel fringes created at the edges of the defocused biprism, the effect of partial coherence in combination with inelastic scattering, and the effect of a finite energy distribution of the incoming beam. (c) 2007 Elsevier B.V. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000253389100011 | Publication Date | 2007-11-02 | |
| 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 | 15 | Open Access | |
| Notes | Fwo G.0147.06; Esteem 026019 | Approved | Most recent IF: 2.843; 2008 IF: 2.629 | ||
| Call Number | UA @ lucian @ c:irua:104035 | Serial | 3582 | ||
| Permanent link to this record | |||||