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| Author | Titantah, J.T.; Lamoen, D.; Schowalter, M.; Rosenauer, A. | ||||
| Title | Density-functional theory calculations of the electron energy-loss near-edge structure of Li-intercalated graphite | Type | A1 Journal article | ||
| Year | 2009 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 47 | Issue | 10 | Pages | 2501-2510 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract  |
We have studied the structural and electronic properties of lithium-intercalated graphite (LIG) for various Li content. Atomic relaxation shows that Li above the center of the carbon hexagon in a AAAA stacked graphite is the only stable Li configuration in stage 1 intercalated graphite. Lithium and Carbon 1s energy-loss near-edge structure (ELNES) calculations are performed on the Li-intercalated graphite using the core-excited density-functional theory formulation. Several features of the Li 1s ELNES are correlated with reported experimental features. The ELNES spectra of Li is found to be electron beam orientation sensitive and this property is used to assign the origin of the various Li 1s ELNES features. Information about core-hole screening by the valence electrons and charge transfer in the LIG systems is obtained from the C 1s ELNES and valence charge density difference calculations, respectively. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000268429000025 | Publication Date | 2009-05-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 12 | Open Access | |
| Notes | Fwo G.0425.05; Esteem 026019 | Approved | Most recent IF: 6.337; 2009 IF: 4.504 | ||
| Call Number | UA @ lucian @ c:irua:77973 | Serial | 638 | ||
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| Author | Vávra, O.; Gaži, S.; Golubović, D.S.; Vávra, I.; Dérer, J.; Verbeeck, J.; Van Tendeloo, G.; Moshchalkov, V.V. | ||||
| Title | 0 and π phase Josephson coupling through an insulating barrier with magnetic impurities | Type | A1 Journal article | ||
| Year | 2006 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 74 | Issue | 2 | Pages | 020502 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We have studied the temperature and field dependencies of the critical current I(C) in the Nb-Fe(0.1)Si(0.9)-Nb Josephson junction with a tunneling barrier formed by a paramagnetic insulator. We demonstrate that in these junctions coexistence of both the 0 and the pi states within one tunnel junction occurs, and leads to the appearance of a sharp cusp in the temperature dependence I(C)(T), similar to the I(C)(T) cusp found for the 0-pi transition in metallic pi junctions. This cusp is not related to the 0-pi temperature-induced transition itself, but is caused by the different temperature dependencies of the opposing 0 and pi supercurrents through the barrier. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000239426600010 | Publication Date | 2006-07-15 | |
| 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 | 27 | Open Access | |
| Notes | Approved | Most recent IF: 3.836; 2006 IF: 3.107 | |||
| Call Number | UA @ lucian @ c:irua:60087 c:irua:60087 c:irua:60087 c:irua:60087UA @ admin @ c:irua:60087 | Serial | 1 | ||
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| Author | Lebedev, N.; Stehno, M.; Rana, A.; Gauquelin, N.; Verbeeck, J.; Brinkman, A.; Aarts, J. | ||||
| Title | Inhomogeneous superconductivity and quasilinear magnetoresistance at amorphous LaTiO₃/SrTiO₃ interfaces | Type | A1 Journal article | ||
| Year | 2020 | Publication | Journal Of Physics-Condensed Matter | Abbreviated Journal | J Phys-Condens Mat |
| Volume | 33 | Issue | 5 | Pages | 055001 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We have studied the transport properties of LaTiO3/SrTiO3 (LTO/STO) heterostructures. In spite of 2D growth observed in reflection high energy electron diffraction, transmission electron microscopy images revealed that the samples tend to amorphize. Still, we observe that the structures are conducting, and some of them exhibit high conductance and/or superconductivity. We established that conductivity arises mainly on the STO side of the interface, and shows all the signs of the two-dimensional electron gas usually observed at interfaces between STO and LTO or LaAlO3, including the presence of two electron bands and tunability with a gate voltage. Analysis of magnetoresistance (MR) and superconductivity indicates the presence of spatial fluctuations of the electronic properties in our samples. That can explain the observed quasilinear out-of-plane MR, as well as various features of the in-plane MR and the observed superconductivity. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000588209300001 | Publication Date | 2020-10-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0953-8984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.7 | Times cited | 1 | Open Access | OpenAccess |
| Notes | ; NL and JA gratefully acknowledge the financial support of the research program DESCO, which is financed by the Netherlands Organisation for Scientific Research (NWO). The authors thank J Jobst, S Smink, K Lahabi and G Koster for useful discussion. ; | Approved | Most recent IF: 2.7; 2020 IF: 2.649 | ||
| Call Number | UA @ admin @ c:irua:173679 | Serial | 6545 | ||
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| Author | Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B. | ||||
| Title | Hydrogen impurities and native defects in CdO | Type | A1 Journal article | ||
| Year | 2011 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
| Volume | 110 | Issue | 6 | Pages | 063521,1-063521,7 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract |
We have used first-principles calculations based on density functional theory to study point defects in CdO within the local density approximation and beyond (LDA+U). Hydrogen interstitials and oxygen vacancies are found to act as shallow donors and can be interpreted as the cause of conductivity in CdO. Hydrogen can also occupy an oxygen vacancy in its substitutional form and also acts as a shallow donor. Similar to what was found for ZnO and MgO, hydrogen creates a multicenter bond with its six oxygen neighbors in CdO. The charge neutrality level for native defects and hydrogen impurities has been calculated. It is shown that in the case of native defects, it is not uniquely defined. Indeed, this level depends highly on the chemical potentials of the species and one can obtain different values for different end states in the experiment. Therefore, a comparison with experiment can only be made if the chemical potentials of the species in the experiment are well defined. However, for the hydrogen interstitial defect, since this level is independent of the chemical potential of hydrogen, one can obtain a unique value for the charge neutrality level. We find that the Fermi level stabilizes at 0.43 eV above the conduction band minimum in the case of the hydrogen interstitial defect, which is in good agreement with the experimentally reported value of 0.4 eV. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000295619300041 | Publication Date | 2011-09-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-8979; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.068 | Times cited | 13 | Open Access | |
| Notes | ; The authors gratefully acknowledge financial support from the IWT-Vlaanderen through the ISIMADE project, the FWO-Vlaanderen through Project G.0191.08 and the BOF-NOI of the University of Antwerp. This work was carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC. ; | Approved | Most recent IF: 2.068; 2011 IF: 2.168 | ||
| Call Number | UA @ lucian @ c:irua:93613 | Serial | 1533 | ||
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| Author | Turner, S.; Lebedev, O.I.; Schroeder, F.; Fischer, R.A.; Van Tendeloo, G. | ||||
| Title | Direct imaging of loaded metal-organic framework materials (metal@MOF-5) | Type | A1 Journal article | ||
| Year | 2008 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
| Volume | 20 | Issue | 17 | Pages | 5622-5627 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We illustrate the potential of advanced transmission electron microscopy for the characterization of a new class of soft porous materials: metal@Zn4O(bdc)3 (metal@MOF-5; bdc = 1,4-benzenedicarboxylate). By combining several electron microscopy techniques (transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), electron diffraction (ED), high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM), and electron tomography) and by carefully reducing the electron dose to avoid beam damage, it is possible to simultaneously characterize the MOF-5 framework material and the loaded metal nanoparticles. We also demonstrate that electron tomography can be used to accurately determine the position and distribution of the particles within the MOF-5 framework. To demonstrate the implementation of these microscopy techniques and what kind of results can be expected, measurements on gas-phase-loaded metal−organic framework materials Ru@MOF-5 and Pd@MOF-5 are presented. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Washington, D.C. | Editor | ||
| Language | Wos | 000258941400021 | Publication Date | 2008-08-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0897-4756;1520-5002; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.466 | Times cited | 112 | Open Access | |
| Notes | Esteem 026019 | Approved | Most recent IF: 9.466; 2008 IF: 5.046 | ||
| Call Number | UA @ lucian @ c:irua:76595 | Serial | 714 | ||
| Permanent link to this record | |||||
| Author | De Backer, A.; Van Aert, S.; Faes, C.; Arslan Irmak, E.; Nellist, P.D.; Jones, L. | ||||
| Title | Experimental reconstructions of 3D atomic structures from electron microscopy images using a Bayesian genetic algorithm | Type | A1 Journal article | ||
| Year | 2022 | Publication | N P J Computational Materials | Abbreviated Journal | npj Comput Mater |
| Volume | 8 | Issue | 1 | Pages | 216 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We introduce a Bayesian genetic algorithm for reconstructing atomic models of monotype crystalline nanoparticles from a single projection using Z-contrast imaging. The number of atoms in a projected atomic column obtained from annular dark field scanning transmission electron microscopy images serves as an input for the initial three-dimensional model. The algorithm minimizes the energy of the structure while utilizing a priori information about the finite precision of the atom-counting results and neighbor-mass relations. The results show promising prospects for obtaining reliable reconstructions of beam-sensitive nanoparticles during dynamical processes from images acquired with sufficiently low incident electron doses. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000866500900001 | Publication Date | 2022-10-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2057-3960 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | OpenAccess | ||
| Notes | This work was supported by the European Research Council (Grant 770887 PICOMETRICS to S.V.A. and Grant 823717 ESTEEM3). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0267.18N, G.0502.18N, G.0346.21N) and a postdoctoral grant to A.D.B. L.J. acknowledges Science Foundation Ireland (SFI – grant number URF/RI/191637), the Royal Society, and the AMBER Centre. The authors acknowledge Aakash Varambhia for his assistance and expertise with the experimental recording and use of characterization facilities within the David Cockayne Centre for Electron Microscopy, Department of Materials, University of Oxford, and in particular the EPSRC (EP/K040375/1 South of England Analytical Electron Microscope).; esteem3reported; esteem3JRA | Approved | Most recent IF: NA | ||
| Call Number | EMAT @ emat @c:irua:191398 | Serial | 7114 | ||
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| Author | Gorji, S.; Kashiwar, A.; Mantha, L.S.; Kruk, R.; Witte, R.; Marek, P.; Hahn, H.; Kübel, C.; Scherer, T. | ||||
| Title | Nanowire facilitated transfer of sensitive TEM samples in a FIB | Type | A1 Journal article | ||
| Year | 2020 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | 219 | Issue | Pages | 113075 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We introduce a facile approach to transfer thin films and other mechanically sensitive TEM samples inside a FIB with minimal introduction of stress and bending. The method is making use of a pre-synthetized flexible freestanding Ag nanowire attached to the tip of a typical tungsten micromanipulator inside the FIB. The main advantages of this approach are the significantly reduced stress-induced bending during transfer and attachment of the TEM sample, the very short time required to attach and cut the nanowire, the operation at very low dose and ion current, and only using the e-beam for Pt deposition during the transfer of sensitive TEM samples. This results in a reduced sample preparation time and reduced exposure to the ion beam or e-beam for Pt deposition during the sample preparation and thus also reduced contamination and beam damage. The method was applied to a number of thin films and different TEM samples in order to illustrate the advantageous benefits of the concept. In particular, the technique has been successfully tested for the transfer of a thin film onto a MEMS heating chip for in situ TEM experiments. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2020-07-15 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0304-3991 | ISBN | Additional Links | UA library record | |
| Impact Factor | 2.2 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 2.2; 2020 IF: 2.843 | |||
| Call Number | UA @ admin @ c:irua:183618 | Serial | 6871 | ||
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| Author | Müller, K.; Schowalter, M.; Rosenauer, A.; Jansen, J.; Tsuda, K.; Titantah, J.T.; Lamoen, D. | ||||
| Title | Refinement of chemically sensitive structure factors using parallel and convergent beam electron nanodiffraction | Type | A1 Journal article | ||
| Year | 2010 | Publication | Journal of physics : conference series | Abbreviated Journal | |
| Volume | 209 | Issue | 1 | Pages | 012025-012025,4 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We introduce a new method to measure structure factors from parallel beam electron diffraction (PBED) patterns. Bloch wave refinement routines were developed which can minimise the difference between simulated and experimental Bragg intensities via variation of structure factors, Debye parameters, specimen thickness and -orientation. Due to plane wave illumination, the PBED refinement is highly efficient not only in computational respect, but also concerning the experimental effort since energy filtering is shown to have no significant effect on the refinement results. The PBED method was applied to simulated GaAs diffraction patterns to derive systematic errors and rules for the identification of plausible refinement results. The evaluation of experimental GaAs PBED patterns yields a 200 X-ray structure factor of -6.33±0.14. Additionally, we obtained -6.35±0.13 from two-dimensional convergent beam electron diffraction refinements. Both results confirm density functional theory calculations published by Rosenauer et al. and indicate the inaccuracy of isolated atom scattering data, which is crucial e.g. for the composition evaluation by lattice fringe analysis. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Bristol | Editor | ||
| Language | Wos | Publication Date | 2010-02-27 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1742-6596; | ISBN | Additional Links | UA library record | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ lucian @ c:irua:85761 | Serial | 2855 | ||
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| Author | Kadu, A.; van Leeuwen, T.; Batenburg, K.J. | ||||
| Title | CoShaRP : a convex program for single-shot tomographic shape sensing | Type | A1 Journal article | ||
| Year | 2021 | Publication | Inverse Problems | Abbreviated Journal | Inverse Probl |
| Volume | 37 | Issue | 10 | Pages | 105005 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We introduce single-shot x-ray tomography that aims to estimate the target image from a single cone-beam projection measurement. This linear inverse problem is extremely under-determined since the measurements are far fewer than the number of unknowns. Moreover, it is more challenging than conventional tomography, where a sufficiently large number of projection angles forms the measurements, allowing for a simple inversion process. However, single-shot tomography becomes less severe if the target image is only composed of known shapes. This paper restricts analysis to target image function that can be decomposed into known compactly supported non-negative-valued functions termed shapes. Hence, the shape prior transforms a linear ill-posed image estimation problem to a non-linear problem of estimating the roto-translations of the shapes. We circumvent the non-linearity by using a dictionary of possible roto-translations of the shapes. We propose a convex program CoShaRP, to recover the dictionary coefficients successfully. CoShaRP relies on simplex-type constraints and can be solved quickly using a primal-dual algorithm. The numerical experiments show that CoShaRP recovers shape stably from moderately noisy measurements. | ||||
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| Language | Wos | 000691743700001 | Publication Date | 2021-07-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0266-5611 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 1.62 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 1.62 | |||
| Call Number | UA @ admin @ c:irua:181617 | Serial | 6859 | ||
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| Author | Juchtmans, R.; Béché, A.; Abakumov, A.; Batuk, M.; Verbeeck, J. | ||||
| Title | Using electron vortex beams to determine chirality of crystals in transmission electron microscopy | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 91 | Issue | 91 | Pages | 094112 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We investigate electron vortex beams elastically scattered on chiral crystals. After deriving a general expression for the scattering amplitude of a vortex electron, we study its diffraction on point scatterers arranged on a helix. We derive a relation between the handedness of the helix and the topological charge of the electron vortex on one hand and the symmetry of the higher-order Laue zones in the diffraction pattern on the other for kinematically and dynamically scattered electrons. We then extend this to atoms arranged on a helix as found in crystals which belong to chiral space groups and propose a method to determine the handedness of such crystals by looking at the symmetry of the diffraction pattern. In contrast to alternative methods, our technique does not require multiple scattering, which makes it possible to also investigate extremely thin samples in which multiple scattering is suppressed. In order to verify the model, elastic scattering simulations are performed, and an experimental demonstration on Mn2Sb2O7 is given in which we find the sample to belong to the right-handed variant of its enantiomorphic pair. This demonstrates the usefulness of electron vortex beams to reveal the chirality of crystals in a transmission electron microscope and provides the required theoretical basis for further developments in this field. | ||||
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| Language | Wos | 000352017000002 | Publication Date | 2015-03-27 | |
| 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 | 54 | Open Access | |
| Notes | Fwo; 312483 Esteem2; 278510 Vortex; esteem2jra1; esteem2jra2 ECASJO_; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
| Call Number | c:irua:125512 c:irua:125512 | Serial | 3825 | ||
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| Author | Matsubara, M.; Saniz, R.; Partoens, B.; Lamoen, D. | ||||
| Title | Doping anatase TiO2with group V-b and VI-b transition metal atoms: a hybrid functional first-principles study | Type | A1 Journal article | ||
| Year | 2017 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
| Volume | 19 | Issue | 19 | Pages | 1945-1952 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract |
We investigate the role of transition metal atoms of group V-b (V, Nb, Ta) and VI-b (Cr, Mo, W) as n- or p-type dopants in anatase TiO$2$ using thermodynamic principles and density functional theory with the Heyd-Scuseria-Ernzerhof HSE06 hybrid functional. The HSE06 functional provides a realistic value for the band gap, which ensures a correct classification of dopants as shallow or deep donors or acceptors. Defect formation energies and thermodynamic transition levels are calculated taking into account the constraints imposed by the stability of TiO$2$ and the solubility limit of the impurities. Nb, Ta, W and Mo are identified as shallow donors. Although W provides two electrons, Nb and Ta show a considerable lower formation energy, in particular under O-poor conditions. Mo donates in principle one electron, but under specific conditions can turn into a double donor. V impurities are deep donors and Cr shows up as an amphoteric defect, thereby acting as an electron trapping center in n-type TiO$_2$ especially under O-rich conditions. A comparison with the available experimental data yields excellent agreement. |
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| Language | Wos | 000394426400027 | Publication Date | 2016-12-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1463-9076 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.123 | Times cited | 19 | Open Access | OpenAccess |
| Notes | We gratefully acknowledge financial support from the IWTVlaanderenthrough projects G.0191.08 and G.0150.13, and the BOF-NOI of the University of Antwerp. This work was carried out using the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, which is funded by the Hercules foundation. M. M. acknowledges financial support from the GOA project ‘‘XANES meets ELNES’’ of the University of Antwerp. | Approved | Most recent IF: 4.123 | ||
| Call Number | EMAT @ emat @ c:irua:140835 | Serial | 4421 | ||
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| Author | Lubk, A.; Clark, L.; Guzzinati, G.; Verbeeck, J. | ||||
| Title | Topological analysis of paraxially scattered electron vortex beams | Type | A1 Journal article | ||
| Year | 2013 | Publication | Physical review : A : atomic, molecular and optical physics | Abbreviated Journal | Phys Rev A |
| Volume | 87 | Issue | 3 | Pages | 033834-33838 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We investigate topological aspects of subnanometer electron vortex beams upon elastic propagation through atomic scattering potentials. Two main aspects can be distinguished: (i) significantly reduced delocalization compared to a similar nonvortex beam if the beam centers on an atomic column and (ii) site symmetry dependent splitting of higher-order vortex beams. Furthermore, the results provide insight into the complex vortex line fabric within the elastically scattered wave containing characteristic vortex loops predominantly attached to atomic columns and characteristic twists of vortex lines around atomic columns. DOI: 10.1103/PhysRevA.87.033834 | ||||
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| Publisher | American Physical Society | Place of Publication | New York, N.Y | Editor | |
| Language | Wos | 000316790600011 | Publication Date | 2013-03-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1050-2947;1094-1622; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.925 | Times cited | 26 | Open Access | |
| Notes | Countatoms; Vortex; Esteem2; esteem2jra3 ECASJO; | Approved | Most recent IF: 2.925; 2013 IF: 2.991 | ||
| Call Number | UA @ lucian @ c:irua:108496 | Serial | 3673 | ||
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| Author | Panzic, I.; Mandic, V.; Mangalam, J.; Rath, T.; Radovanovic-Peric, F.; Gaboardi, M.; De Coen, B.; Bals, S.; Schrenker, N. | ||||
| Title | In-situ structural degradation study of quadruple-cation perovskite solar cells with nanostructured charge transfer layer | Type | A1 Journal article | ||
| Year | 2023 | Publication | Ceramics international | Abbreviated Journal | |
| Volume | 49 | Issue | 14b | Pages | 24475-24486 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We investigated the structural stability of perovskite solar cells (PSCs) in n-i-p configuration comprising a rubidium-caesium-methylammonium-formamidinium (Rb-Cs-MA-FA) lead iodide/bromide perovskite absorber, interfaced with nanostructured ZnO-nanorod (NR) or mesostructured (MS) TiO2 electron transfer layers (ETL). An in-situ setup was established comprising synchrotron grazing incidence diffraction (GID) and Raman spectroscopy as a function of temperature under ambient and isothermal conditions; measurements of current-voltage (IV) characteristics and electron microscopic investigations were conducted discretely.The aging of the solar cells was performed at ambient conditions or at elevated temperatures directly in the in -situ measurement setup. The diffraction depth profiling results point to different degradation rates for different ETLs; moreover, electron microscopy and atomic force microscopy, as well as energy dispersive spectroscopy clarified surface conditions in terms of the extent of the degradation. Scanning transmission electron microscopy of lamellas, derived by dual beam microscopy, revealed that the origin of the degradation lay in the ETL/ absorber interface. For the case of the nanostructured zincite, the perovskite absorber contained many voids, leading to the conclusion that the investigated quadruple perovskite absorber showed limited compatibility with ZnO NR ETL due to a higher number of defects. Morphological defects promoted the absorber degradation and nullified the advantages initially achieved by nanostructuring. The exchange of the ZnO NR ETL with MS TiO2 improved the stability parameters of the absorber layer. | ||||
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| Language | Wos | 001021057200001 | Publication Date | 2022-12-25 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0272-8842; 1873-3956 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 5.2 | Times cited | Open Access | OpenAccess | |
| Notes | This work has been funded by the projects PZS-2019-02-1555 PV-WALL in Research Cooperability Program of the Croatian Science Foundation funded by the European Union from the European Social Fund under the Operational Programme Efficient Human Resources 2014-2020 (perovskite solar cells) , UIP-2019-04-2367 SLIPPERY SLOPE of the Croatian Science Foundation (nanostructured titania and zincite constituents) , KK.01.2.1.02.0316 “ The development of the technical solution for energy saving using VIS -transparent or semi-transparent and IR-reflective thin-films” by the European Regional Development Fund (ERDF) (characterisation of thin-films) , 20190571 and 20190516 at Elettra Synchrotron, ICM-2019-13220 in Ernst Mach program of the OeAD-GmbH, and E210900588 in the EUSMI program. The group of prof Gregor Trimmel of the ICTM, NAWI Graz, the beam- line scientists of the MCX beamline of the Elettra synchrotron, and FIB- STEM researchers of the Faculty of Science, University of Antwerp, are gratefully acknowledged for collaboration and instrument access. The financial sustenance of the University of Zagreb is gratefully acknowledged. | Approved | Most recent IF: 5.2; 2023 IF: 2.986 | ||
| Call Number | UA @ admin @ c:irua:197806 | Serial | 8885 | ||
| Permanent link to this record | |||||
| Author | Somsen, C.; Wassermann, E.F.; Kästner, J.; Schryvers, D. | ||||
| Title | Precursor phenomena in a quenched and aged Ni52Ti48 shape memory alloy | Type | A1 Journal article | ||
| Year | 2003 | Publication | Journal de physique: 4 T2 – 10th International Conference on Martensitic Transformations, JUN 10-14, 2002, ESPOO, FINLAND | Abbreviated Journal | J Phys Iv |
| Volume | 112 | Issue | Part 2 | Pages | 777-780 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We measured the electrical resistivity R(T) and specific heat C-p(T) between room temperature (RT) and 4.2 K as well as the microstructure by transmission electron microscopy (TEM) of a Ni-52 Ti-48 SMA quenched from 1000degreesC (B2-Phase range) to RT and then annealed for 1h at T=380degreesC, 550degreesC and 650degreesC. In the “as quenched” and the “650degreesC annealed” state no martensitic transformations (MT's) occur. The diffraction patterns show faint reflections originating from coherent Ni4Ti3 precipitates in an early state of formation. Additional reflections of the type 1/2 <110>, 1/2 <111> and 1/3 <110> result from various lattice displacement waves, which are precursors of the MT's to the B19' and R-phase, respectively. Indeed, high resolution TEM micrographs of the [001] zone of the “as quenched” sample reveal transverse 1/2 <110> <110> lattice displacement waves, precursors of the B19' martensite. The coherent Ni4Ti3 precipitates, homogeneously distributed on a small length scale, binder the MT's in the “as quenched” and the “650degreesC annealed” state, and thus only the precursors appear. When annealed at T=380degreesC, however, coherent Ni4Ti3 precipitates with a length of 10nm are clearly visible in TEM. These precipitates trigger the NIT from the B2 to the R-phase on cooling, as evidenced also by anomalies in R(T) and C-p(T). Annealing at T-550degreesC leads to the well known two step MT's from the B2 to the R-phase and then into the B19'-phase. These martensitic transitions are clearly seen as additional peaks in the specific heat and anomalies in the resistance, while the “as quenched” and 650degreesC annealed samples show weak features in R(T) and C-p(T). | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Les Ulis | Editor | ||
| Language | Wos | 000186503400036 | Publication Date | 2008-08-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1155-4339; | 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:102791 | Serial | 2694 | ||
| Permanent link to this record | |||||
| Author | Ye, M.; Schroeder, J.; Mehbod, M.; Deltour, R.; Naessens, G.; Duvigneaud, P.H.; Verbist, K.; Van Tendeloo, G. | ||||
| Title | Structural properties of Zn-substituted epitaxial YBa2Cu3O7-\delta thin films | Type | A1 Journal article | ||
| Year | 1996 | Publication | Superconductor science and technology | Abbreviated Journal | Supercond Sci Tech |
| Volume | 9 | Issue | 7 | Pages | 543-548 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We optimized the deposition of YBa2(Cu1-xZnx)(3)O-7-delta thin-films using inverted cylindrical magnetron sputtering and report here a detailed structural study, especially in relation to crystal growth, associated surface morphology, Y2O3 precipitation and other secondary phases important for flux pinning. We find that the epitaxial quality of the Zn-substituted YBa2Cu3O7-delta films is decreased compared with high-quality pure YBa2Cu3O7-delta films prepared under identical conditions. The pure films have smoother surfaces, while those of Zn-substituted films contain pinholes and outgrowths. Secondary phases and a-axis grains were observed in the Zn-substituted films. Y2O3 precipitates with typical dimensions of 50-100 Angstrom have been found in both pure and Zn-substituted samples. However, their density of about 10(23) m(-3), observed in the pure films, is significantly reduced in the Zn-substituted films when increasing the Zn concentration up to 4%. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Bristol | Editor | ||
| Language | Wos | A1996UX28600006 | Publication Date | 2002-08-25 | |
| 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 | 2.325 | Times cited | 7 | Open Access | |
| Notes | Approved | ||||
| Call Number | UA @ lucian @ c:irua:15464 | Serial | 3257 | ||
| Permanent link to this record | |||||
| Author | Chaves, A.; Moura, V.N.; Linard, F.J.A.; Covaci, L.; Milošević, M.V. | ||||
| Title | Tunable magnetic focusing using Andreev scattering in superconductor-graphene hybrid devices | Type | A1 Journal article | ||
| Year | 2020 | Publication | Journal Of Applied Physics | Abbreviated Journal | J Appl Phys |
| Volume | 128 | Issue | 12 | Pages | 124303 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract |
We perform the wavepacket dynamics simulation of a graphene-based device where propagating electron trajectories are tamed by an applied magnetic field toward a normal/superconductor interface. The magnetic field controls the incidence angle of the incoming electronic wavepacket at the interface, which results in the tunable electron-hole ratio in the reflected wave function due to the angular dependence of the Andreev reflection. Here, mapped control of the quasiparticle trajectories by the external magnetic field not only defines an experimental probe for fundamental studies of the Andreev reflection in graphene but also lays the foundation for further development of magnetic focusing devices based on nanoengineered superconducting two-dimensional materials. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000576393200002 | Publication Date | 2020-09-28 | |
| 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 | 3.2 | Times cited | 1 | Open Access | Not_Open_Access |
| Notes | ; This work was supported by the Brazilian Council for Research (CNPq) through the PRONEX/FUNCAP and PQ programs and by the Research Foundation-Flanders (FWO). ; | Approved | Most recent IF: 3.2; 2020 IF: 2.068 | ||
| Call Number | UA @ admin @ c:irua:172730 | Serial | 6639 | ||
| Permanent link to this record | |||||
| Author | Albrecht, W.; Deng, T.-S.; Goris, B.; van Huis, M.A.; Bals, S.; van Blaaderen, A. | ||||
| Title | Single Particle Deformation and Analysis of Silica-Coated Gold Nanorods before and after Femtosecond Laser Pulse Excitation | Type | A1 Journal article | ||
| Year | 2016 | Publication | Nano letters | Abbreviated Journal | Nano Lett |
| Volume | 16 | Issue | 16 | Pages | 1818-1825 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We performed single particle deformation experiments on silica-coated gold nanorods under femtosecond (fs) illumination. Changes in the particle shape were analyzed by electron microscopy and associated changes in the plasmon resonance by electron energy loss spectroscopy. Silica-coated rods were found to be more stable compared to uncoated rods but could still be deformed via an intermediate bullet-like shape for silica shell thicknesses of 14 nm. Changes in the size ratio of the rods after fs-illumination resulted in blue-shifting of the longitudinal plasmon resonances. Two-dimensional spatial mapping of the plasmon resonances revealed that the flat side of the bullet-like particles showed a less pronounced longitudinal plasmonic electric field enhancement. These findings were confirmed by finite-difference time-domain (FDTD) simulations. Furthermore, at higher laser fluences size reduction of the particles was found as well as for particles that were not completely deformed yet. | ||||
| Address | Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University , Princetonplein 5, 3584 CC Utrecht, The Netherlands | ||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | English | Wos | 000371946300045 | Publication Date | 2016-02-12 |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1530-6984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 12.712 | Times cited | 55 | Open Access | OpenAccess |
| Notes | We thank Dr. Nicolas Gauquelin for his assistance during the EELS measurements and Thomas Atlantzis for the high-resolution images of the gold clusters. We furthermore thank Ernest van der Wee for the simulation of the confocal point spread functions. The authors acknowledge financial support from the European Research Council under the European Unions Seventh Framework Programme (FP-2007-2013)/ERC Advanced Grant Agreement #291667 HierarSACol and the Foundation of Fundamental Research on Matter (FOM), which is part of the Netherlands Organisation for Scientific Research (NWO). The authors furthermore acknowledge financial support from European Research Council (ERC Starting Grant #335078-COLOURATOMS). The authors also appreciate financial support from the European Union under the Seventh Framework Program (Integrated Infrastructure Initiative N. 262348 European Soft Matter Infrastructure, ESMI). This work was supported by the Flemish Fund for Scientific Research (FWO Vlaanderen) through a postdoctoral research grant to B.G.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); | Approved | Most recent IF: 12.712 | ||
| Call Number | c:irua:131924 c:irua:131924 | Serial | 4016 | ||
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| Author | Guzzinati, G.; Das, P.P.; Zompra, A., A.; Nicopoulos, S.; Verbeeck, J. | ||||
| Title | Electron energy loss spectra of several organic compounds | Type | Dataset | ||
| Year | 2020 | Publication | Abbreviated Journal | ||
| Volume | Issue | Pages | |||
| Keywords | Dataset; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We placed crystals of different compounds to explore the possibility of fingerprinting them through EELS. Here are representative datasets of 7 different compounds: b-cyclodextrin hexacarboxy cyclohexane tannin TH-15 peptide TH-27 peptide two different forms of piroxicam The datasets were collected at EMAT, using a monochromated FEI Titan3 TEM, within the scope of an EUSMI request. More information as well as analysis methodologies adopted for the data are detailed in the paper: Das et al. “Reliable Characterization of Organic & Pharmaceutical Compounds with High Resolution Monochromated EEL Spectroscopy”, Polymers 2020, 12(7), 1434. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | |||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | UA library record | ||
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:180654 | Serial | 6866 | ||
| Permanent link to this record | |||||
| Author | Yu, CP.; Vega Ibañez, F.; Béché, A.; Verbeeck, J. | ||||
| Title | Quantum wavefront shaping with a 48-element programmable phase plate for electrons | Type | A1 Journal Article | ||
| Year | 2023 | Publication | SciPost Physics | Abbreviated Journal | SciPost Phys. |
| Volume | 15 | Issue | Pages | 223 | |
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) | ||||
| Abstract |
We present a 48-element programmable phase plate for coherent electron waves produced by a combination of photolithography and focused ion beam. This brings the highly successful concept of wavefront shaping from light optics into the realm of electron optics and provides an important new degree of freedom to prepare electron quantum states. The phase plate chip is mounted on an aperture rod placed in the C2 plane of a transmission electron microscope operating in the 100-300 kV range. The phase plate's behavior is characterized by a Gerchberg-Saxton algorithm, showing a phase sensitivity of 0.075 rad/mV at 300 kV, with a phase resolution of approximately 3x10e−3π. In addition, we provide a brief overview of possible use cases and support it with both simulated and experimental results. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | SciPost | Place of Publication | Editor | ||
| Language | English | Wos | 001116838500002 | Publication Date | 2023-12-04 |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2542-4653 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.5 | Times cited | 1 | Open Access | |
| Notes | This project is the result of a long-term effort involving many differ- ent sources of funding: JV acknowledges funding from an ERC proof of concept project DLV- 789598 ADAPTEM, as well as a University IOF proof of concept project towards launching the AdaptEM spin-off and the eBEAM project, supported by the European Union’s Horizon 2020 research and innovation program FETPROACT-EIC-07-2020: emerging paradigms and com- munities. This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No 823717 – ESTEEM3 and via The IMPRESS project from the HORIZON EUROPE framework program for research and innovation under grant agreement n. 101094299. FV, JV, and AB acknowledge funding from G042820N ‘Explor- ing adaptive optics in transmission electron microscopy.’ CPY acknowledges funding from a TOP-BOF project from the University of Antwerp. | Approved | Most recent IF: 5.5; 2023 IF: NA | ||
| Call Number | EMAT @ emat @c:irua:202037 | Serial | 8984 | ||
| Permanent link to this record | |||||
| Author | Tsirlin, A.A.; Abakumov, A.M.; Ritter, C.; Henry, P.F.; Janson, O.; Rosner, H. | ||||
| Title | Short-range order of Br and three-dimensional magnetism in (CuBr)LaNb2O7 | Type | A1 Journal article | ||
| Year | 2012 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 85 | Issue | 21 | Pages | 214427 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We present a comprehensive study of the crystal structure, magnetic structure, and microscopic magnetic model of (CuBr)LaNb2O7, the Br analog of the spin-gap quantum magnet (CuCl) LaNb2O7. Despite similar crystal structures and spin lattices, the magnetic behavior and even peculiarities of the atomic arrangement in the Cl and Br compounds are very different. The high- resolution x-ray and neutron data reveal a split position of Br atoms in (CuBr) LaNb2O7. This splitting originates from two possible configurations developed by [CuBr] zigzag ribbons. While the Br atoms are locally ordered in the ab plane, their arrangement along the c direction remains partially disordered. The predominant and energetically more favorable configuration features an additional doubling of the c lattice parameter that was not observed in (CuCl) LaNb2O7. (CuBr) LaNb2O7 undergoes long-range antiferromagnetic ordering at T-N = 32 K, which is nearly 70% of the leading exchange coupling J4 similar or equal to 48 K. The Br compound does not show any experimental signatures of low-dimensional magnetism because the underlying spin lattice is three-dimensional. The coupling along the c direction is comparable to the couplings in the ab plane, even though the shortest Cu-Cu distance along c (11.69 angstrom) is three times larger than nearest-neighbor distances in the ab plane (3.55 angstrom). The stripe antiferromagnetic long-range order featuring columns of parallel spins in the ab plane and antiparallel spins along c is verified experimentally and confirmed by the microscopic analysis. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000305557600002 | Publication Date | 2012-06-22 | |
| 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 | 5 | Open Access | |
| Notes | Approved | Most recent IF: 3.836; 2012 IF: 3.767 | |||
| Call Number | UA @ lucian @ c:irua:100289 | Serial | 2998 | ||
| Permanent link to this record | |||||
| Author | Friedrich, T.; Yu, C.-P.; Verbeek, J.; Pennycook, T.; Van Aert, S. | ||||
| Title | Phase retrieval from 4-dimensional electron diffraction datasets | Type | P1 Proceeding | ||
| Year | 2021 | Publication | Proceedings T2 – IEEE International Conference on Image Processing (ICIP), SEP 19-22, 2021, Electr. network | Abbreviated Journal | |
| Volume | Issue | Pages | 3453-3457 | ||
| Keywords | P1 Proceeding; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We present a computational imaging mode for large scale electron microscopy data, which retrieves a complex wave from noisy/sparse intensity recordings using a deep learning approach and subsequently reconstructs an image of the specimen from the Convolutional Neural Network (CNN) predicted exit waves. We demonstrate that an appropriate forward model in combination with open data frameworks can be used to generate large synthetic datasets for training. In combination with augmenting the data with Poisson noise corresponding to varying dose-values, we effectively eliminate overfitting issues. The U-NET[1] based architecture of the CNN is adapted to the task at hand and performs well while maintaining a relatively small size and fast performance. The validity of the approach is confirmed by comparing the reconstruction to well-established methods using simulated, as well as real electron microscopy data. The proposed method is shown to be effective particularly in the low dose range, evident by strong suppression of noise, good spatial resolution, and sensitivity to different atom types, enabling the simultaneous visualisation of light and heavy elements and making different atomic species distinguishable. Since the method acts on a very local scale and is comparatively fast it bears the potential to be used for near-real-time reconstruction during data acquisition. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000819455103114 | Publication Date | 2021-08-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 978-1-6654-4115-5 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | OpenAccess | ||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:189462 | Serial | 7089 | ||
| Permanent link to this record | |||||
| Author | Fedina, L.; Lebedev, O.I.; Van Tendeloo, G.; van Landuyt, J.; Mironov, O.A.; Parker, E.H.C. | ||||
| Title | In situ HREM irradiation study of point-defect clustering in MBE-grown strained Si1-xGex/(001)Si structures | Type | A1 Journal article | ||
| Year | 2000 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 61 | Issue | 15 | Pages | 10336-10345 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We present a detailed analysis of the point-defect clustering in strained Si/Si(1-x)Ge(x)/(001)Si structures, including the interaction of the point defects with the strained interfaces and the sample surface during 400 kV electron irradiation at room temperature. Point-defect cluster formation is very sensitive to the type and magnitude of the strain in the Si and Si(1-x)Ge(x) layers. A small compressive strain (-0.3%) in the SiGe alloy causes an aggregation of vacancies in the form of metastable [110]-oriented chains. They are located on {113} planes and further recombine with interstitials. Tensile strain in the Si layer causes an aggregation of interstitial atoms in the forms of additional [110] rows which are inserted on {113} planes with [001]-split configurations. The chainlike configurations are characterized by a large outward lattice relaxation for interstitial rows (0.13 +/-0.01 nm) and a very small inward relaxation for vacancy chains (0.02+/-0.01 nm). A compressive strain higher than -0.5% strongly decreases point-defect generation inside the strained SiGe alloy due to the large positive value of the formation volume of a Frenkel pair. This leads to the suppression of point-defect clustering in a strained SiGe alloy so that SiGe relaxes via a diffusion of vacancies from the Si layer, giving rise to an intermixing at the Si/SiGe interface. In material with a 0.9% misfit a strongly increased flow of vacancies from the Si layer to the SiGe layer and an increased biaxial strain in SiGe bath promote the preferential aggregation of vacancies in the (001) plane, which relaxes to form intrinsic 60 degrees dislocation loops. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000086606200082 | Publication Date | 2002-07-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0163-1829;1095-3795; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 27 | Open Access | |
| Notes | Conference Name: Microsc. Semicond. Mater. Conf. | Approved | Most recent IF: 3.836; 2000 IF: NA | ||
| Call Number | UA @ lucian @ c:irua:103456 | Serial | 1577 | ||
| Permanent link to this record | |||||
| Author | Saniz, R.; Bekaert, J.; Partoens, B.; Lamoen, D. | ||||
| Title | First-principles study of defects at Σ3 grain boundaries in CuGaSe2 | Type | A1 Journal article | ||
| Year | 2021 | Publication | Solid State Communications | Abbreviated Journal | Solid State Commun |
| Volume | Issue | Pages | 114263 | ||
| Keywords | A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We present a first-principles computational study of cation–Se 3 (112) grain boundaries in CuGaSe. We discuss the structure of these grain boundaries, as well as the effect of native defects and Na impurities on their electronic properties. The formation energies show that the defects will tend to form preferentially at the grain boundaries, rather than in the grain interiors. We find that in Ga-rich growth conditions Cu vacancies as well as Ga at Cu and Cu at Ga antisites are mainly responsible for having the equilibrium Fermi level pinned toward the middle of the gap, resulting in carrier depletion. The Na at Cu impurity in its +1 charge state contributes to this. In Ga-poor growth conditions, on the other hand, the formation energies of Cu vacancies and Ga at Cu antisites are comparatively too high for any significant influence on carrier density or on the equilibrium Fermi level position. Thus, under these conditions, the Cu at Ga antisites give rise to a -type grain boundary. Also, their formation energy is lower than the formation energy of Na at Cu impurities. Thus, the latter will fail to act as a hole barrier preventing recombination at the grain boundary, in contrast to what occurs in CuInSe grain boundaries. We also discuss the effect of the defects on the electronic properties of bulk CuGaSe, which we assume reflect the properties of the grain interiors. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000652668500013 | Publication Date | 2021-03-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0038-1098 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.554 | Times cited | 1 | Open Access | OpenAccess |
| Notes | Fwo; We acknowledge the financial support of FWO-Vlaanderen, Belgium through project G.0150.13. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by FWO-Vlaanderen and the Flemish Government-department EWI. | Approved | Most recent IF: 1.554 | ||
| Call Number | EMAT @ emat @c:irua:176544 | Serial | 6703 | ||
| Permanent link to this record | |||||
| Author | Saniz, R.; Sarmadian, N.; Partoens, B.; Batuk, M.; Hadermann, J.; Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Lamoen, D. | ||||
| Title | First-principles study of CO and OH adsorption on in-doped ZnO surfaces | Type | A1 Journal article | ||
| Year | 2019 | Publication | The journal of physics and chemistry of solids | Abbreviated Journal | J Phys Chem Solids |
| Volume | 132 | Issue | Pages | 172-181 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract |
We present a first-principles computational study of CO and OH adsorption on non-polar ZnO (10¯10) surfaces doped with indium. The calculations were performed using a model ZnO slab. The position of the In dopants was varied from deep bulk-like layers to the surface layers. It was established that the preferential location of the In atoms is at the surface by examining the dependence of the defect formation energy as well as the surface energy on In location. The adsorption sites on the surface of ZnO and the energy of adsorption of CO molecules and OH-species were determined in connection to In doping. It was found that OH has higher bonding energy to the surface than CO. The presence of In atoms at the surface of ZnO is favorable for CO adsorption, resulting in an elongation of the C-O bond and in charge transfer to the surface. The effect of CO and OH adsorption on the electronic and conduction properties of surfaces was assessed. We conclude that In-doped ZnO surfaces should present a higher electronic response upon adsorption of CO. |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000472124700023 | Publication Date | 2019-04-25 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0022-3697 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.059 | Times cited | 7 | Open Access | Not_Open_Access: Available from 26.04.2021 |
| Notes | FWO-Vlaanderen, G0D6515N ; ERA.Net RUS Plus, 096 ; VSC; HPC infrastructure of the University of Antwerp; FWO-Vlaanderen; Flemish Government-department EWI; | Approved | Most recent IF: 2.059 | ||
| Call Number | EMAT @ emat @UA @ admin @ c:irua:159656 | Serial | 5170 | ||
| Permanent link to this record | |||||
| Author | Van Eynde, E.; Hu, Z.-Y.; Tytgat, T.; Verbruggen, S.W.; Watte, J.; Van Tendeloo, G.; Van Driessche, I.; Blust, R.; Lenaerts, S. | ||||
| Title | Diatom silica-titania photocatalysts for air purification by bio-accumulation of different titanium sources | Type | A1 Journal article | ||
| Year | 2016 | Publication | Environmental science : nano | Abbreviated Journal | Environ Sci-Nano |
| Volume | 3 | Issue | 5 | Pages | 1052-1061 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract |
We present a green, biological production route for silica-titania photocatalysts using diatom microalgae. Diatoms are single-celled, eukaryotic microalgae (2-2000 mu m) that self-assemble soluble silicon (Si(OH)(4)) into intricate silica cell walls, called frustules. These diatom frustules are formed under ambient conditions and consist of hydrated silica with specific 3D morphologies and micro-meso or macroporosity. A remarkable characteristic of diatoms is their ability to bioaccumulate soluble titanium from cell culture medium and incorporate them into their nanostructured silica cell wall. Controlled cultivation of the diatom Pinnularia sp. on soluble titanium in a batch process resulted in the biological immobilisation of titanium dioxide in the porous 3D architecture of the frustules. Six different titanium sources are tested. The silica-titania frustules were isolated by treating the harvested Pinnularia cells with nitric acid (65%) or by high temperature treatment. Thermal annealing converted the amorphous titania into crystalline titania. The produced silica-titania material is evaluated towards photocatalytic activity for acetaldehyde (C2H4O) abatement. Frustules cultivated with TiBaldH showed the highest photocatalytic performance. Comparison of the photocatalytic activity with P25 reveals that P25 has a 4 fold higher photocatalytic activity, but when photocatalytic activity is normalized for titania content, the frustules show double activity. Further material characterization (morphology, crystallinity, surface area and elemental distribution) of the TiBaldH silica-titania frustules provides additional insight into their structure-activity relationship. These natural biosilicatitania materials have excellent properties for photocatalytic purposes, including high surface area (108 m(2) g(-1)) and good porosity, and show reliable immobilization of TiO2 in the ordered structure of the diatom frustule. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Royal Society of Chemistry | Place of Publication | Cambridge | Editor | |
| Language | Wos | 000385257900011 | Publication Date | 2016-07-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2051-8153; 2051-8161 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.047 | Times cited | 7 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 6.047 | ||
| Call Number | UA @ lucian @ c:irua:144751 | Serial | 4644 | ||
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| Author | Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D.; Volety, K.; Huyberechts, G.; Paul, J. | ||||
| Title | High throughput first-principles calculations of bixbyite oxides for TCO applications | Type | A1 Journal article | ||
| Year | 2014 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
| Volume | 16 | Issue | 33 | Pages | 17724-17733 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract |
We present a high-throughput computing scheme based on density functional theory (DFT) to generate a class of oxides and screen them with the aim of identifying those that might be electronically appropriate for transparent conducting oxide (TCO) applications. The screening criteria used are a minimum band gap to ensure sufficient transparency, a band edge alignment consistent with easy n- or p-type dopability, and a minimum thermodynamic phase stability to be experimentally synthesizable. Following this scheme we screened 23 binary and 1518 ternary bixbyite oxides in order to identify promising candidates, which can then be a subject of an in-depth study. The results for the known TCOs are in good agreement with the reported data in the literature. We suggest a list of several new potential TCOs, including both n- and p-type compounds. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Cambridge | Editor | ||
| Language | Wos | 000341064800041 | Publication Date | 2014-07-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1463-9076;1463-9084; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.123 | Times cited | 23 | Open Access | |
| Notes | ; We gratefully acknowledge financial support from the IWT-Vlaanderen through the ISIMADE project (IWT-n 080023), the FWO-Vlaanderen through project G.0150.13 and a GOA fund from the University of Antwerp. This work was carried out using the HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center VSC, which is funded by the Hercules foundation and the Flemish Government (EWI Department). ; | Approved | Most recent IF: 4.123; 2014 IF: 4.493 | ||
| Call Number | UA @ lucian @ c:irua:118263 | Serial | 1469 | ||
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| Author | Annys, A.; Jannis, D.; Verbeeck, J. | ||||
| Title | Core-loss EELS dataset and neural networks for element identification | Type | Dataset | ||
| Year | 2023 | Publication | Abbreviated Journal | ||
| Volume | Issue | Pages | |||
| Keywords | Dataset; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We present a large dataset containing simulated core-loss electron energy loss spectroscopy (EELS) spectra with the elemental content as ground-truth labels. Additionally we present some neural networks trained on this data for element identification. The simulated dataset contains zero padded core-loss spectra from 0 to 3072 eV, which represents 107 core-loss edges through all 80 elements from Be up to Bi. The core-loss edges are calculated from the generalised oscillator strength (GOS) database presented by Zhang et al.[1] Generic fine structures using lifetime broadened peaks are used to imitate fine structure due to solid-state effects in experimental spectra. Generic low-loss regions are used to imitate the effect of multiple scattering. Each spectrum contains at least one edge of a given query element and possibly additional edges depending on samples drawn from The Materials Project [2]. The dataset contains for each of the 80 elements: 7000 training spectra, 1500 test spectra, 600 validation spectra and 100 spectra representing only the query element. This results in a total 736 000 labeled spectra. Code on how to – read the simulated data – transform HDF5 format to TFRecord format – train and evaluate neural networks using the simulated data – use the trained networks for automated element identification is available on GitHub at arnoannys/EELS_ID A full report on the simulation of the dataset and the training and evaluation of the neural networks can be found at: Annys, A., Jannis, D. & Verbeeck, J. Deep learning for automated materials characterisation in core-loss electron energy loss spectroscopy. Sci Rep 13, 13724 (2023). https://doi.org/10.1038/s41598-023-40943-7 [1] Zezhong Zhang, Ivan Lobato, Daen Jannis, Johan Verbeeck, Sandra Van Aert, & Peter Nellist. (2023). Generalised oscillator strength for core-shell electron excitation by fast electrons based on Dirac solutions (1.0) [Data set]. Zenodo. https://doi.org/10.5281/zenodo.7729585 [2] Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier, Wei Chen, William Davidson Richards, Stephen Dacek, Shreyas Cholia, Dan Gunter, David Skinner, Gerbrand Ceder, Kristin A. Persson; Commentary: The Materials Project: A materials genome approach to accelerating materials innovation. APL Mater 1 July 2013; 1 (1): 011002. [https://doi.org/10.1063/1.4812323](https://doi.org/10.1063/1.4812323) | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | |||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | UA library record | ||
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:203391 | Serial | 9015 | ||
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| Author | Pasquini, L.; Sacchi, M.; Brighi, M.; Boelsma, C.; Bals, S.; Perkisas, T.; Dam, B. | ||||
| Title | Hydride destabilization in core-shell nanoparticles | Type | A1 Journal article | ||
| Year | 2014 | Publication | International journal of hydrogen energy | Abbreviated Journal | Int J Hydrogen Energ |
| Volume | 39 | Issue | 5 | Pages | 2115-2123 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We present a model that describes the effect of elastic constraint on the thermodynamics of hydrogen absorption and desorption in biphasic core-shell nanoparticles, where the core is a hydride forming metal. In particular, the change of the hydride formation enthalpy and of the equilibrium pressure for the metal/hydride transformation are described as a function of nanoparticles radius, shell thickness, and elastic properties of both core and shell. To test the model, the hydrogen sorption isotherms of Mg-MgO core-shell nanoparticles, synthesized by inert gas condensation, were measured by means of optical hydrogenography. The model's predictions are in good agreement with the experimentally determined plateau pressure of hydrogen absorption. The features that a core-shell systems should exhibit in view of practical hydrogen storage applications are discussed with reference to the model and the experimental results. Copyright (C) 2013, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000331344800022 | Publication Date | 2014-01-04 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0360-3199; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.582 | Times cited | 32 | Open Access | Not_Open_Access |
| Notes | COST Action MP1103 | Approved | Most recent IF: 3.582; 2014 IF: 3.313 | ||
| Call Number | UA @ lucian @ c:irua:115785 | Serial | 1528 | ||
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| Author | Sébilleau, D.; Natoli, C.; Gavaza, G.M.; Zhao, H.; da Pieve, F.; Hatada, K. | ||||
| Title | MsSpec-1.0 : a multiple scattering package for electron spectroscopies in material science | Type | A1 Journal article | ||
| Year | 2011 | Publication | Computer physics communications | Abbreviated Journal | Comput Phys Commun |
| Volume | 182 | Issue | 12 | Pages | 2567-2579 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
We present a multiple scattering package to calculate the cross-section of various spectroscopies namely photoelectron diffraction (PED), Auger electron diffraction (AED), X-ray absorption (XAS), low-energy electron diffraction (LEED) and Auger photoelectron coincidence spectroscopy (APECS). This package is composed of three main codes, computing respectively the cluster, the potential and the cross-section. In the latter case, in order to cover a range of energies as wide as possible, three different algorithms are provided to perform the multiple scattering calculation: full matrix inversion, series expansion or correlation expansion of the multiple scattering matrix. Numerous other small Fortran codes or bash/csh shell scripts are also provided to perform specific tasks. The cross-section code is built by the user from a library of subroutines using a makefile. | ||||
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| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000295769700014 | Publication Date | 2011-07-28 | |
| 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 | 6 | Open Access | |
| Notes | Approved | Most recent IF: 3.936; 2011 IF: 3.268 | |||
| Call Number | UA @ lucian @ c:irua:93288 | Serial | 2208 | ||
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| Author | Malladi, S.K.; Xu, Q.; van Huis, M.A.; Tichelaar, F.D.; Batenburg, K.J.; Yucelen, E.; Dubiel, B.; Czyrska-Filemonowicz, A.; Zandbergen, H.W. | ||||
| Title | Real-time atomic scale imaging of nanostructural evolution in aluminum alloys | Type | A1 Journal article | ||
| Year | 2014 | Publication | Nano Letters | Abbreviated Journal | Nano Lett |
| Volume | 14 | Issue | 1 | Pages | 384-389 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab | ||||
| Abstract |
We present a new approach to study the three-dimensional compositional and structural evolution of metal alloys during heat treatments such as commonly used for improving overall material properties. It relies on in situ heating in a high-resolution scanning transmission electron microscope (STEM). The approach is demonstrated using a commercial Al alloy AA2024 at 100-240 degrees C, showing in unparalleled detail where and how precipitates nucleate, grow,or dissolve. The observed size evolution of individual precipitates enables a separation between nucleation and growth phenomena, necessary for the development of refined growth models. We conclude that the in situ heating STEM approach opens a route to a much faster determination of the interplay between local compositions, heat treatments, microstructure, and mechanical properties of new alloys. | ||||
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| Publisher | Place of Publication | Washington | Editor | ||
| Language | Wos | 000329586700061 | Publication Date | 2013-12-13 | |
| 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 | 12 | Open Access | |
| Notes | Approved | Most recent IF: 12.712; 2014 IF: 13.592 | |||
| Call Number | UA @ lucian @ c:irua:114789 | Serial | 2833 | ||
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