Records |
Author |
Molina-Luna, L.; Duerrschnabel, M.; Turner, S.; Erbe, M.; Martinez, G.T.; Van Aert, S.; Holzapfel, B.; Van Tendeloo, G. |
Title |
Atomic and electronic structures of BaHfO3-doped TFA-MOD-derived YBa2Cu3O7−δthin films |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Superconductor science and technology |
Abbreviated Journal |
Supercond Sci Tech |
Volume |
28 |
Issue |
28 |
Pages |
115009 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Tailoring the properties of oxide-based nanocomposites is of great importance for a wide range of materials relevant for energy technology. YBa2Cu3O7−δ (YBCO) superconducting thin films containing nanosized BaHfO3 (BHO) particles yield a significant improvement of the magnetic flux pinning properties and a reduced anisotropy of the critical current density. These films were prepared by chemical solution deposition (CSD) on (100) SrTiO3 (STO) substrates yielding critical current densities up to 3.6 MA cm−2 at 77 K and self-field. Transport in-field J c measurements demonstrated a high pinning force maximum of around 6 GN/m3 for a sample annealed at T = 760 °C that has a doping of 12 mol% of BHO. This sample was investigated by scanning transmission electron microscopy (STEM) in combination with electron energy-loss spectroscopy (EELS) yielding strain and spectral maps. Spherical BHO nanoparticles of 15 nm in size were found in the matrix, whereas the particles at the interface were flat. A 2 nm diffusion layer containing Ti was found at the YBCO (BHO)/STO interface. Local lattice deformation mapping at the atomic scale revealed crystal defects induced by the presence of both sorts of BHO nanoparticles, which can act as pinning centers for magnetic flux lines. Two types of local lattice defects were identified and imaged: (i) misfit edge dislocations and (ii) Ba-Cu-Cu-Ba stacking faults (Y-248 intergrowths). The local electronic structure and charge transfer were probed by high energy resolution monochromated electron energy-loss spectroscopy. This technique made it possible to distinguish superconducting from non-superconducting areas in nanocomposite samples with atomic resolution in real space, allowing the identification of local pinning sites on the order of the coherence length of YBCO (~1.5 nm) and the determination of 0.25 nm dislocation cores. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000366193000018 |
Publication Date |
2015-09-25 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0953-2048;1361-6668; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.878 |
Times cited |
4 |
Open Access |
|
Notes |
The authors thank financial support from the European Union under the Framework 6 program as a contract for an Integrated Infrastructure Initiative (References No. 026019 ESTEEM) and by the EUFP6 Research Project “NanoEngineered Superconductors for Power Applications” NESPA no. MRTN-CT-2006-035619. This work was supported by funding from the European Research Council under the Seventh Framework Programme (FP7). L.M.L, S.T. and G.V.T acknowledge ERC grant N°246791 – COUNTATOMS and funding under a contract for an Integrated Infrastructure Initiative, Reference No. 312483- ESTEEM2, as well as the EC project EUROTAPES. G.T.M. and S.V.A acknowledge financial support from the Fund for Scientific Research-Flanders (Reference G.0064.10N and G.0393.11N). M.D. acknowledges financial support from the LOEWE research cluster RESPONSE (Hessen, Germany). M.E. has received funding from the European Union Seventh Framework Programme (FP7/2007–2013) under grant agreement n° NMP-LA-2012-280432.; esteem2jra2; esteem2jra3 |
Approved |
Most recent IF: 2.878; 2015 IF: 2.325 |
Call Number |
c:irua:129199 c:irua:129199 |
Serial |
3942 |
Permanent link to this record |
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|
|
Author |
Liao, Z.; Huijben, M.; Zhong, Z.; Gauquelin, N.; Macke, S.; Green, R.J.; Van Aert, S.; Verbeeck, J.; Van Tendeloo, G.; Held, K.; Sawatzky, G.A.; Koster, G.; Rijnders, G. |
Title |
Controlled lateral anisotropy in correlated manganite heterostructures by interface-engineered oxygen octahedral coupling |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Nature materials |
Abbreviated Journal |
Nat Mater |
Volume |
15 |
Issue |
15 |
Pages |
425-431 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Controlled in-plane rotation of the magnetic easy axis in manganite heterostructures by tailoring the interface oxygen network could allow the development of correlated oxide-based magnetic tunnelling junctions with non-collinear magnetization, with possible practical applications as miniaturized high-switching-speed magnetic random access memory (MRAM) devices. Here, we demonstrate how to manipulate magnetic and electronic anisotropic properties in manganite heterostructures by engineering the oxygen network on the unit-cell level. The strong oxygen octahedral coupling is found to transfer the octahedral rotation, present in the NdGaO3 (NGO) substrate, to the La2/3Sr1/3MnO3 (LSMO) film in the interface region. This causes an unexpected realignment of the magnetic easy axis along the short axis of the LSMO unit cell as well as the presence of a giant anisotropic transport in these ultrathin LSMO films. As a result we possess control of the lateral magnetic and electronic anisotropies by atomic-scale design of the oxygen octahedral rotation. |
Address |
MESA+ Institute for Nanotechnology, University of Twente, PO Box 217, 7500 AE Enschede, The Netherlands |
Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
English |
Wos |
000372591700017 |
Publication Date |
2016-03-07 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1476-1122 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
39.737 |
Times cited |
273 |
Open Access |
|
Notes |
We would like to acknowledge Dr. Evert Houwman for stimulated discussion. M.H., G.K. and G.R. acknowledge funding from DESCO program of the Dutch Foundation for Fundamental Research on Matter (FOM) with financial support from the Netherlands Organization for Scientific Research (NWO). This work was funded by the European Union Council under the 7th Framework Program (FP7) grant nr NMP3-LA-2010- 246102 IFOX. J.V. and S.V.A. acknowledges funding from FWO project G.0044.13N and G. 0368.15N. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. N.G. acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant 278510 VORTEX. N.G., S.V.A., J.V. and G.V.T. acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative (Reference No. 312483-ESTEEM2). The Canadian work was supported by NSERC and the Max Planck-UBC Centre for Quantum Materials. Some experiments for this work were performed at the Canadian Light Source, which is funded by the Canada Foundation for Innovation, NSERC, the National Research Council of Canada, the Canadian Institutes of Health Research, the Government of Saskatchewan, Western Economic Diversification Canada, and the University of Saskatchewan. Z.Z. acknowledges funding from the SFB ViCoM (Austrian Science Fund project ID F4103- N13), and Calculations have been done on the Vienna Scientific Cluster (VSC).; esteem2jra2; esteem2jra3 ECASJO_; |
Approved |
Most recent IF: 39.737 |
Call Number |
c:irua:133190 c:irua:133190UA @ admin @ c:irua:133190 |
Serial |
4041 |
Permanent link to this record |
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Author |
De Backer, A.; De Wael, A.; Gonnissen, J.; Martinez, G.T.; Béché, A.; MacArthur, K.E.; Jones, L.; Nellist, P.D.; Van Aert, S. |
Title |
Quantitative annular dark field scanning transmission electron microscopy for nanoparticle atom-counting: What are the limits? |
Type |
P1 Proceeding |
Year |
2015 |
Publication |
Journal of physics : conference series |
Abbreviated Journal |
|
Volume |
644 |
Issue |
644 |
Pages |
012034 |
Keywords |
P1 Proceeding; Electron microscopy for materials research (EMAT) |
Abstract |
Quantitative atomic resolution annular dark field scanning transmission electron microscopy (ADF STEM) has become a powerful technique for nanoparticle atom-counting. However, a lot of nanoparticles provide a severe characterisation challenge because of their limited size and beam sensitivity. Therefore, quantitative ADF STEM may greatly benefit from statistical detection theory in order to optimise the instrumental microscope settings such that the incoming electron dose can be kept as low as possible whilst still retaining single-atom precision. The principles of detection theory are used to quantify the probability of error for atom-counting. This enables us to decide between different image performance measures and to optimise the experimental detector settings for atom-counting in ADF STEM in an objective manner. To demonstrate this, ADF STEM imaging of an industrial catalyst has been conducted using the near-optimal detector settings. For this experiment, we discussed the limits for atom-counting diagnosed by combining a thorough statistical method and detailed image simulations. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000366826200034 |
Publication Date |
2015-10-13 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
Electron Microscopy and Analysis Group Conference (EMAG), JUN 02-JUL 02, 2015, Manchester, ENGLAND |
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1742-6588 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project funding (G.0368.15N, G.0369.15N, and G.0374.15N) and a PhD research grant to A De Backer. The research leading to these results has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483 – ESTEEM2 (Integrated Infrastructure Initiative-I3), ERC Starting Grant 278510 Vortex, and the UK Engineering and Physical Sciences Research Council (EP/K032518/1). The authors acknowledge Johnson-Matthey for providing the sample and PhD funding to K E MacArthur. A Rosenauer is acknowledged for providing the STEMsim program.; esteem2jra2; ECASJO; |
Approved |
Most recent IF: NA |
Call Number |
c:irua:130314 c:irua:130314 |
Serial |
4050 |
Permanent link to this record |
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Author |
Varambhia, A.M.; Jones, L.; De Backer, A.; Fauske, V.T.; Van Aert, S.; Ozkaya, D.; Nellist, P.D. |
Title |
Quantifying a Heterogeneous Ru Catalyst on Carbon Black Using ADF STEM |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Particle and particle systems characterization |
Abbreviated Journal |
Part Part Syst Char |
Volume |
33 |
Issue |
33 |
Pages |
438-444 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Ru catalysts are part of a set of late transition metal nanocatalysts that have garnered much interest for catalytic applications such as ammonia synthesis and fuel cell production. Their performance varies greatly depending on their morphology and size, these catalysts are widely studied using electron microscopy. Using recent developments in Annular Dark Field (ADF) Scanning Transmission Electron Microscopy (STEM) quantification techniques, a rapid atom counting procedure was utilized to document the evolution of a heterogeneous Ru catalyst supported on carbon black. Areas of the catalyst were imaged for approximately 15 minutes using ADF STEM. When the Ru clusters were exposed to the electron beam, the clusters changed phase from amorphous to crystalline. To quantify the thickness of the crystalline clusters, two techniques were applied (simulation and statistical decomposition) and compared. These techniques show that stable face centredcubic crystal structures in the form of rafts, between 2 and 8 atoms thick, were formed after the initial wetting of the carbon support. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000379970000012 |
Publication Date |
2016-06-17 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0934-0866 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.474 |
Times cited |
4 |
Open Access |
|
Notes |
The authors would like to thank the EPSRC and Johnson Matthey for funding this work as part of a CASE-Award studentship. The research leading to these results has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483 – ESTEEM2 (Integrated Infrastructure Initiative–I3). We would like to thank Brian Theobald and Jonathan Sharman from JMTC for provision of the samples The authors gratefully acknowledge the Research Foundation Flanders (FWO, Belgium) for funding and for a postdoctoral grant to ADB. The microscope used was funded by the INFRASTRUKTUR Grant 197405 (NORTEM) program of the Research Council of Norway.; esteem2_jra2 |
Approved |
Most recent IF: 4.474 |
Call Number |
c:irua:134036 c:irua:134036 |
Serial |
4086 |
Permanent link to this record |
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Author |
Lobato, I.; Van Aert, S.; Verbeeck, J. |
Title |
Progress and new advances in simulating electron microscopy datasets using MULTEM |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
Volume |
168 |
Issue |
168 |
Pages |
17-27 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A new version of the open source program MULTEM is presented here. It includes a graphical user interface, tapering truncation of the atomic potential, CPU multithreading functionality, single/double precision calculations, scanning transmission electron microscopy (STEM) simulations using experimental detector sensitivities, imaging STEM (ISTEM) simulations, energy filtered transmission electron microscopy (EFTEM) simulations, STEM electron energy loss spectroscopy (EELS) simulations along with other improvements in the algorithms. We also present a mixed channeling approach for the calculation of inelastic excitations, which allows one to considerably speed up time consuming EFTEM/STEM-EELS calculations. |
Address |
EMAT, University of Antwerp, Department of Physics, Groenenborgerlaan 171, B-2020 Antwerp, Belgium |
Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
English |
Wos |
000380754100003 |
Publication Date |
2016-06-11 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0304-3991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.843 |
Times cited |
43 |
Open Access |
|
Notes |
The authors acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative. Reference No. 312483- ESTEEM2. The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0374.13N, G.0369.15N and G.0368.15N).; esteem2jra3; esteem2na3; esteem2_jra2 |
Approved |
Most recent IF: 2.843 |
Call Number |
c:irua:134088 c:irua:134088UA @ admin @ c:irua:134088 |
Serial |
4093 |
Permanent link to this record |
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Author |
Liao, Z; , Green, R.J; Gauquelin, N; Macke, S.; Li, L.; Gonnissen, J; Sutarto, R.; Houwman, E.P.; Zhong, Z.; Van Aert, S.; Verbeeck, J.; Sawatzky, G.A.; Huijben, M.; Koster, G.; Rijnders, G. |
Title |
Long-Range Domain Structure and Symmetry Engineering by Interfacial Oxygen Octahedral Coupling at Heterostructure Interface |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Advanced functional materials |
Abbreviated Journal |
Adv Funct Mater |
Volume |
26 |
Issue |
26 |
Pages |
6627-6634 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
In epitaxial thin film systems, the crystal structure and its symmetry deviate from the bulk counterpart due to various mechanisms such as epitaxial strain and interfacial structural coupling, which is accompanyed by a change in their properties. In perovskite materials, the crystal symmetry can be described by rotations of sixfold coordinated transition metal oxygen octahedra, which are found to be altered at interfaces. Here, it is unraveled how the local oxygen octahedral coupling at perovskite heterostructural interfaces strongly influences the domain structure and symmetry of the epitaxial films resulting in design rules to induce various structures in thin films using carefully selected combinations of substrate/buffer/film. Very interestingly it is discovered that these combinations lead to structure changes throughout the full thickness of the film. The results provide a deep insight into understanding the origin of induced structures in a perovskite heterostructure and an intelligent route to achieve unique functional properties. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000384809800010 |
Publication Date |
2016-06-23 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1616-301x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
12.124 |
Times cited |
23 |
Open Access |
|
Notes |
We thank B. Keimer for valuable discussions. M.H., G.K. and G.R. acknowledge funding from DESCO program of the Dutch Foundation for Fundamental Research on Matter (FOM) with financial support from the Netherlands Organization for Scientific Research (NWO). This work was funded by the European Union Council under the 7th Framework Program (FP7) grant nr NMP3-LA-2010-246102 IFOX. J.V. and S.V.A. acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0044.13N, G.0374.13N, G.0368.15N, G.0369.15N). The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. N.G. acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant 278510 VORTEX. N.G., J.G., S.V.A., J.V. acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative (Reference No. 312483-ESTEEM2). The Canadian work was supported by NSERC and the Max Planck-UBC Centre for Quantum Materials. Some experiments for this work were performed at the Canadian Light Source, which is funded by the Canada Foundation for Innovation, NSERC, the National Research Council of Canada, the Canadian Institutes of Health Research, the Government of Saskatchewan, Western Economic Diversification Canada, and the University of Saskatchewan.; esteem2jra2; esteem2jra3; ECASJO_; |
Approved |
Most recent IF: 12.124 |
Call Number |
EMAT @ emat @ c:irua:144663UA @ admin @ c:irua:144663 |
Serial |
4106 |
Permanent link to this record |
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Author |
Gonnissen, J.; De Backer, A.; den Dekker, A.J.; Sijbers, J.; Van Aert, S. |
Title |
Detecting and locating light atoms from high-resolution STEM images: The quest for a single optimal design |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
Volume |
170 |
Issue |
170 |
Pages |
128-138 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
In the present paper, the optimal detector design is investigated for both detecting and locating light atoms from high resolution scanning transmission electron microscopy (HR STEM) images. The principles of detection theory are used to quantify the probability of error for the detection of light atoms from HR STEM images. To determine the optimal experiment design for locating light atoms, use is made of the so-called Cramer-Rao Lower Bound (CRLB). It is investigated if a single optimal design can be found for both the detection and location problem of light atoms. Furthermore, the incoming electron dose is optimised for both research goals and it is shown that picometre range precision is feasible for the estimation of the atom positions when using an appropriate incoming electron dose under the optimal detector settings to detect light atoms. |
Address |
Electron Microscopy for Materials Science (EMAT), University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp, Belgium. Electronic address: sandra.vanaert@uantwerpen.be |
Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
English |
Wos |
000386925500014 |
Publication Date |
2016-07-26 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0304-3991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.843 |
Times cited |
6 |
Open Access |
|
Notes |
The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0368.15, G.0369.15 and G.0374.13) and a postdoctoral research grant to A. De Backer. The research leading to these results has also received funding from the European Union Seventh Framework Programme [FP7/2007-2013] under Grant agreement no. 312483 (ESTEEM2). The authors would also like to thank A. Rosenauer for providing access to the STEMsim software and Gerardo T. Martinez for fruitful discussions.; esteem2_jra2 |
Approved |
Most recent IF: 2.843 |
Call Number |
c:irua:135337 c:irua:135337 |
Serial |
4128 |
Permanent link to this record |
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Author |
Gonnissen, J.; Batuk, D.; Nataf, G.F.; Jones, L.; Abakumov, A.M.; Van Aert, S.; Schryvers, D.; Salje, E.K.H. |
Title |
Direct Observation of Ferroelectric Domain Walls in LiNbO3: Wall-Meanders, Kinks, and Local Electric Charges |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Advanced functional materials |
Abbreviated Journal |
Adv Funct Mater |
Volume |
26 |
Issue |
26 |
Pages |
7599-7604 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Direct observations of the ferroelectric domain boundaries in LiNbO3 are performed using high-resolution high-angle annular dark field scanning transmission electron microscopy imaging, revealing a very narrow width of the domain wall between the 180° domains. The domain walls demonstrate local side-way meandering, which results in inclinations even when the overall wall orientation follows the ferroelectric polarization. These local meanders contain kinks with “head-to-head” and “tail-to-tail” dipolar configurations and are therefore locally charged. The charged meanders are confined to a few cation layers along the polarization direction and are separated by longer stretches of straight domain walls. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000388166700006 |
Publication Date |
2016-09-16 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1616-301X |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
12.124 |
Times cited |
23 |
Open Access |
|
Notes |
J.G. acknowledges the support from the Research Foundation Flanders (FWO, Belgium) through various project fundings (G.0368.15N, G.0369.15N, and G.0374.13N), as well as the financial support from the European Union Seventh Framework Program (FP7/2007–2013) under Grant agreement no. 312483 (ESTEEM2). The authors thank J. Hadermann for useful suggestions on the interpretation of the HAADFSTEM images. E.K.H.S. thanks the EPSRC (EP/K009702/1) and the Leverhulme Trust (EM-2016-004) for support. G.F.N. thanks the National Research Fund, Luxembourg (FNR/P12/4853155/Kreisel) for support.; esteem2_jra2 |
Approved |
Most recent IF: 12.124 |
Call Number |
c:irua:135336 c:irua:135336 |
Serial |
4129 |
Permanent link to this record |
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Author |
De Backer, A.; van den Bos, K.H.W.; Van den Broek, W.; Sijbers, J.; Van Aert, S. |
Title |
StatSTEM: An efficient approach for accurate and precise model-based quantification of atomic resolution electron microscopy images |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
Volume |
171 |
Issue |
171 |
Pages |
104-116 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
An efficient model-based estimation algorithm is introduced to quantify the atomic column positions and intensities from atomic resolution (scanning) transmission electron microscopy ((S)TEM) images. This algorithm uses the least squares estimator on image segments containing individual columns fully accounting for overlap between neighbouring columns, enabling the analysis of a large field of view. For this algorithm, the accuracy and precision with which measurements for the atomic column positions and scattering cross-sections from annular dark field (ADF) STEM images can be estimated, has been investigated. The highest attainable precision is reached even for low dose images. Furthermore, the advantages of the model-based approach taking into account overlap between neighbouring columns are highlighted. This is done for the estimation of the distance between two neighbouring columns as a function of their distance and for the estimation of the scattering cross-section which is compared to the integrated intensity from a Voronoi cell. To provide end-users this well-established quantification method, a user friendly program, StatSTEM, is developed which is freely available under a GNU public license. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000389106200014 |
Publication Date |
2016-09-09 |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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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 |
43 |
Open Access |
|
Notes |
The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0393.11, G.0064.10 and G.0374.13), a Ph.D. research grant to K.H.W. van den Bos, and a postdoctoral research grant to A. De Backer. The research leading to these results has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483 – ESTEEM2 (Integrated Infrastructure Initiative-I3). A. Rosenauer is acknowledged for providing the STEMsim program.; esteem2_jra2 |
Approved |
Most recent IF: 2.843 |
Call Number |
EMAT @ emat @ c:irua:135516 |
Serial |
4280 |
Permanent link to this record |
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Author |
van den Bos, K.H.W.; Krause, F.F.; Béché, A.; Verbeeck, J.; Rosenauer, A.; Van Aert, S. |
Title |
Locating light and heavy atomic column positions with picometer precision using ISTEM |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
Volume |
172 |
Issue |
172 |
Pages |
75-81 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Recently, imaging scanning transmission electron microscopy (ISTEM) has been proposed as a promising new technique combining the advantages of conventional TEM (CTEM) and STEM [1]. The ability to visualize light and heavy elements together makes it a particularly interesting new, spatially incoherent imaging mode. Here, we evaluate this technique in term of precision with which atomic column locations can be measured. By using statistical parameter estimation theory, we will show that these locations can be accurately measured with a precision in the picometer range. Furthermore, a quantitative comparison is made with HAADF STEM imaging to investigate the advantages of ISTEM. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000390600200009 |
Publication Date |
2016-10-09 |
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 |
8 |
Open Access |
|
Notes |
The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0374.13N, G.0368.15N, G.0369.15N), and by a Ph.D. grant to K.H.W. van den Bos. The research leading to these results has received funding from the Deutsche Forschungsgemeinschaft under Contract No. RO 2057/4-2 and the European Union Seventh Framework Programme under Grant Agreement 312483 – ESTEEM2. We thank Prof. G. Koster from the University of Twente for kindly providing us with the PbTiO3 test sample. |
Approved |
Most recent IF: 2.843 |
Call Number |
EMAT @ emat @ c:irua:136109UA @ admin @ c:irua:136109 |
Serial |
4288 |
Permanent link to this record |
|
|
|
Author |
Gonnissen, J.; De Backer, A.; den Dekker, A.J.; Sijbers, J.; Van Aert, S. |
Title |
Atom-counting in High Resolution Electron Microscopy: TEM or STEM – that's the question |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
Volume |
174 |
Issue |
174 |
Pages |
112-120 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
In this work, a recently developed quantitative approach based on the principles of detection theory is used in order to determine the possibilities and limitations of High Resolution Scanning Transmission Electron Microscopy (HR STEM) and HR TEM for atom-counting. So far, HR STEM has been shown to be an appropriate imaging mode to count the number of atoms in a projected atomic column. Recently, it has been demonstrated that HR TEM, when using negative spherical aberration imaging, is suitable for atom-counting as well. The capabilities of both imaging techniques are investigated and compared using the probability of error as a criterion. It is shown that for the same incoming electron dose, HR STEM outperforms HR TEM under common practice standards, i.e. when the decision is based on the probability function of the peak intensities in HR TEM and of the scattering cross-sections in HR STEM. If the atom-counting decision is based on the joint probability function of the image pixel values, the dependence of all image pixel intensities as a function of thickness should be known accurately. Under this assumption, the probability of error may decrease significantly for atom-counting in HR TEM and may, in theory, become lower as compared to HR STEM under the predicted optimal experimental settings. However, the commonly used standard for atom-counting in HR STEM leads to a high performance and has been shown to work in practice. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000403342200013 |
Publication Date |
2016-10-27 |
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 |
2 |
Open Access |
|
Notes |
The authors gratefully acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0368.15N, G.0369.15N, G.0374.13N, and WO.010.16N) and a postdoctoral grant to A. De Backer. The research leading to these results has received funding from the European Union Seventh Framework Programme [FP7/2007-2013] under Grant agreement no. 312483 (ESTEEM2). |
Approved |
Most recent IF: 2.843 |
Call Number |
EMAT @ emat @ c:irua:137102 |
Serial |
4315 |
Permanent link to this record |
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|
|
Author |
Cioni, M.; Delle Piane, M.; Polino, D.; Rapetti, D.; Crippa, M.; Arslan Irmak, E.; Van Aert, S.; Bals, S.; Pavan, G.M. |
Title |
Sampling real-time atomic dynamics in metal nanoparticles by combining experiments, simulations, and machine learning |
Type |
A1 Journal article |
Year |
2024 |
Publication |
Advanced Science |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
1-13 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Even at low temperatures, metal nanoparticles (NPs) possess atomic dynamics that are key for their properties but challenging to elucidate. Recent experimental advances allow obtaining atomic-resolution snapshots of the NPs in realistic regimes, but data acquisition limitations hinder the experimental reconstruction of the atomic dynamics present within them. Molecular simulations have the advantage that these allow directly tracking the motion of atoms over time. However, these typically start from ideal/perfect NP structures and, suffering from sampling limits, provide results that are often dependent on the initial/putative structure and remain purely indicative. Here, by combining state-of-the-art experimental and computational approaches, how it is possible to tackle the limitations of both approaches and resolve the atomistic dynamics present in metal NPs in realistic conditions is demonstrated. Annular dark-field scanning transmission electron microscopy enables the acquisition of ten high-resolution images of an Au NP at intervals of 0.6 s. These are used to reconstruct atomistic 3D models of the real NP used to run ten independent molecular dynamics simulations. Machine learning analyses of the simulation trajectories allow resolving the real-time atomic dynamics present within the NP. This provides a robust combined experimental/computational approach to characterize the structural dynamics of metal NPs in realistic conditions. Experimental and computational techniques are bridged to unveil atomic dynamics in gold nanoparticles (NPs), using annular dark-field scanning transmission electron microscopy and molecular dynamics simulations informed by machine learning. The approach provides unprecedented insights into the real-time structural behaviors of NPs, merging state-of-the-art techniques to accurately characterize their dynamics under realistic conditions. image |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001206888000001 |
Publication Date |
2024-04-24 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2198-3844 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
15.1 |
Times cited |
|
Open Access |
|
Notes |
This work was supported by the funding received by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement no. 818776- DYNAPOL, no. 770887 PICOMETRICS and no. 815128 REALNANO). The authors also acknowledge the computational resources provided by the Swiss National Supercomputing Center (CSCS), by CINECA, and the Research Foundation Flanders (FWO, Belgium) G.0346.21N. |
Approved |
Most recent IF: 15.1; 2024 IF: 9.034 |
Call Number |
UA @ admin @ c:irua:205442 |
Serial |
9171 |
Permanent link to this record |
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|
|
Author |
Arisnabarreta, N.; Hao, Y.; Jin, E.; Salame, A.; Muellen, K.; Robert, M.; Lazzaroni, R.; Van Aert, S.; Mali, K.S.; De Feyter, S. |
Title |
Single-layered imine-linked porphyrin-based two-dimensional covalent organic frameworks targeting CO₂ reduction |
Type |
A1 Journal article |
Year |
2024 |
Publication |
Advanced energy materials |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
The reduction of carbon dioxide (CO2) using porphyrin-containing 2D covalent organic frameworks (2D-COFs) catalysts is widely explored nowadays. While these framework materials are normally fabricated as powders followed by their uncontrolled surface heterogenization or directly grown as thin films (thickness >200 nm), very little is known about the performance of substrate-supported single-layered (approximate to 0.5 nm thickness) 2D-COFs films (s2D-COFs) due to its highly challenging synthesis and characterization protocols. In this work, a fast and straightforward fabrication method of porphyrin-containing s2D-COFs is demonstrated, which allows their extensive high-resolution visualization via scanning tunneling microscopy (STM) in liquid conditions with the support of STM simulations. The as-prepared single-layered film is then employed as a cathode for the electrochemical reduction of CO2. Fe porphyrin-containing s2D-COF@graphite used as a single-layered heterogeneous catalyst provided moderate-to-high carbon monoxide selectivity (82%) and partial CO current density (5.1 mA cm(-2)). This work establishes the value of using single-layered films as heterogene ous catalysts and demonstrates the possibility of achieving high performance in CO2 reduction even with extremely low catalyst loadings. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001177577200001 |
Publication Date |
2024-02-28 |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1614-6832; 1614-6840 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
27.8 |
Times cited |
|
Open Access |
|
Notes |
N.A. acknowledges a postdoctoral fellowship from the Research Foundation- Flanders (FWO) via grant 12ZS623N. S.D.F. acknowledges support from FWO (G0A4120N, G0H2122N, G0A5U24N), KU Leuven Internal Funds (grants C14/18/06, C14/19/079, C14/23/090), European Union under the Horizon Europe grant 101046231 (FantastiCOF), and M-ERA.NET via FWO (G0K9822N). S.D.F., K.M., Y.H., R.L., and S.V.A. were thankful to the FWO and FNRS for the financial support through the EOS program (grant 30489208, 40007495). Research in Mons was also supported by the Belgian National Fund for Scientific Research (FRS-FNRS) within the Consortium des Équipements de Calcul Intensif- CÉCI, and by the Walloon Region (ZENOBE and LUCIA Tier-1 supercomputers). E.J. appreciated the support from the Alexander von Humboldt Foundation, the Max Planck Society, the FLAG-ERA Grant OPERA by DFG 437130745, the National Natural Science Foundation of China (22288101), and the 111 Project (B17020). Partial financial support to M.R. from the Institut Universitaire de France (IUF) was warmly thanked. |
Approved |
Most recent IF: 27.8; 2024 IF: 16.721 |
Call Number |
UA @ admin @ c:irua:204856 |
Serial |
9172 |
Permanent link to this record |
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|
Author |
Ni, S.; Houwman, E.; Gauquelin, N.; Chezganov, D.; Van Aert, S.; Verbeeck, J.; Rijnders, G.; Koster, G. |
Title |
Stabilizing perovskite Pb(Mg0.33Nb0.67)O3-PbTiO3 thin films by fast deposition and tensile mismatched growth template |
Type |
A1 Journal article |
Year |
2024 |
Publication |
ACS applied materials and interfaces |
Abbreviated Journal |
|
Volume |
16 |
Issue |
10 |
Pages |
12744-12753 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Because of its low hysteresis, high dielectric constant, and strong piezoelectric response, Pb(Mg1/3Nb2/3)O-3-PbTiO3 (PMN-PT) thin films have attracted considerable attention for the application in PiezoMEMS, field-effect transistors, and energy harvesting and storage devices. However, it remains a great challenge to fabricate phase-pure, pyrochlore-free PMN-PT thin films. In this study, we demonstrate that a high deposition rate, combined with a tensile mismatched template layer can stabilize the perovskite phase of PMN-PT films and prevent the nucleation of passive pyrochlore phases. We observed that an accelerated deposition rate promoted mixing of the B-site cation and facilitated relaxation of the compressively strained PMN-PT on the SrTiO3 (STO) substrate in the initial growth layer, which apparently suppressed the initial formation of pyrochlore phases. By employing La-doped-BaSnO3 (LBSO) as the tensile mismatched buffer layer, 750 nm thick phase-pure perovskite PMN-PT films were synthesized. The resulting PMN-PT films exhibited excellent crystalline quality close to that of the STO substrate. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001176343700001 |
Publication Date |
2024-02-29 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1944-8244 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
9.5 |
Times cited |
|
Open Access |
|
Notes |
We would like to acknowledge the Netherlands Organization for Scientific Research (NWO) for the financial support of this work. This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No. 823717-ESTEEM3. |
Approved |
Most recent IF: 9.5; 2024 IF: 7.504 |
Call Number |
UA @ admin @ c:irua:204754 |
Serial |
9174 |
Permanent link to this record |
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Author |
Goris, B.; De Beenhouwer, J.; de Backer, A.; Zanaga, D.; Batenburg, J.; Sanchez-Iglesias, A.; Liz-Marzan, L.; Van Aert, S.; Sijbers, J.; Van Tendeloo, G.; Bals, S. |
Title |
Investigating lattice strain in Au nanodecahedrons |
Type |
P1 Proceeding |
Year |
2016 |
Publication |
|
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
11-12 |
Keywords |
P1 Proceeding; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
|
Publication Date |
2016-12-21 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
978-3-527-80846-5 |
ISBN |
|
Additional Links |
UA library record |
Impact Factor |
|
Times cited |
|
Open Access |
Not_Open_Access |
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:145813 |
Serial |
5144 |
Permanent link to this record |
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Author |
Fatermans, J.; de Backer, A.; den Dekker, A.J.; Van Aert, S. |
Title |
Atom column detection |
Type |
H2 Book chapter |
Year |
2021 |
Publication |
Advances in imaging and electron physics
T2 – Advances in imaging and electron physics |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
177-214 |
Keywords |
H2 Book chapter; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
By combining statistical parameter estimation and model-order selection using a Bayesian framework, the maximum a posteriori (MAP) probability rule is proposed in this chapter as an objective and quantitative method to detect atom columns from high-resolution scanning transmission electron microscopy (HRSTEM) images. The validity and usefulness of this approach is demonstrated to both simulated and experimental annular dark-field (ADF) STEM images, but also to simultaneously acquired annular bright-field (ABF) and ADF STEM image data. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
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Publication Date |
2021-03-06 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
217 |
Series Issue |
|
Edition |
|
ISSN |
|
ISBN |
978-0-12-824607-8; 1076-5670 |
Additional Links |
UA library record |
Impact Factor |
|
Times cited |
|
Open Access |
Not_Open_Access |
Notes |
ERC Consolidator project funded by the European Union grant #770887 Picometrics |
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:177531 |
Serial |
6775 |
Permanent link to this record |
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Author |
de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S. |
Title |
Atom counting |
Type |
H2 Book chapter |
Year |
2021 |
Publication |
Advances in imaging and electron physics
T2 – Advances in imaging and electron physics |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
91-144 |
Keywords |
H2 Book chapter; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
In this chapter, a statistical model-based method to count the number of atoms of monotype crystalline nanostructures from high-resolution annular dark-field (ADF) scanning transmission electron microscopy (STEM) images is discussed in detail together with a thorough study on the possibilities and inherent limitations. We show that this method can be applied to nanocrystals of arbitrary shape, size, and atom type. The validity of the atom-counting results is confirmed by means of detailed image simulations and it is shown that the high sensitivity of our method enables us to count atoms with single atom sensitivity. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Language |
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Wos |
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Publication Date |
2021-03-06 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
217 |
Series Issue |
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Edition |
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ISSN |
|
ISBN |
978-0-12-824607-8; 1076-5670 |
Additional Links |
UA library record |
Impact Factor |
|
Times cited |
|
Open Access |
Not_Open_Access |
Notes |
ERC Consolidator project funded by the European Union grant #770887 Picometrics |
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:177529 |
Serial |
6776 |
Permanent link to this record |
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Author |
de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S. |
Title |
Efficient fitting algorithm |
Type |
H2 Book chapter |
Year |
2021 |
Publication |
Advances in imaging and electron physics
T2 – Advances in imaging and electron physics |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
73-90 |
Keywords |
H2 Book chapter; Electron microscopy for materials research (EMAT) |
Abstract |
An efficient model-based estimation algorithm is introduced to quantify the atomic column positions and intensities from atomic-resolution (scanning) transmission electron microscopy ((S)TEM) images. This algorithm uses the least squares estimator on image segments containing individual columns fully accounting for overlap between neighboring columns, enabling the analysis of a large field of view. To provide end-users with this well-established quantification method, a user friendly program, StatSTEM, is developed which is freely available under a GNU public license. In this chapter, this efficient algorithm is applied to three different nanostructures for which the analysis of a large field of view is required. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Wos |
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Publication Date |
2021-03-06 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
217 |
Series Issue |
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Edition |
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ISSN |
|
ISBN |
978-0-12-824607-8; 1076-5670 |
Additional Links |
UA library record |
Impact Factor |
|
Times cited |
|
Open Access |
Not_Open_Access |
Notes |
ERC Consolidator project funded by the European Union grant #770887 Picometrics |
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:177528 |
Serial |
6778 |
Permanent link to this record |
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Author |
de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S. |
Title |
General conclusions and future perspectives |
Type |
H2 Book chapter |
Year |
2021 |
Publication |
Advances in imaging and electron physics
T2 – Advances in imaging and electron physics |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
243-253 |
Keywords |
H2 Book chapter; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
This chapter provides an overview of statistical and quantitative methodologies that have pushed (scanning) transmission electron microscopy ((S)TEM) toward accurate and precise measurements of unknown structure parameters for understanding the relation between the structure of a material and its properties. Hereby, statistical parameter estimation theory has extensively been used which enabled not only measuring atomic column positions, but also quantifying the number of atoms, and detecting atomic columns as accurately and precisely as possible from experimental images. As a general conclusion, it can be stated that advanced statistical techniques are ideal tools to perform quantitative electron microscopy at the atomic scale. In the future, statistical methods will continue to be developed and novel quantification procedures will open up new possibilities for studying material structures at the atomic scale. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Wos |
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Publication Date |
2021-03-06 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
217 |
Series Issue |
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Edition |
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ISSN |
|
ISBN |
978-0-12-824607-8; 1076-5670 |
Additional Links |
UA library record |
Impact Factor |
|
Times cited |
|
Open Access |
Not_Open_Access |
Notes |
ERC Consolidator project funded by the European Union grant #770887 Picometrics |
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:177533 |
Serial |
6781 |
Permanent link to this record |
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Author |
Fatermans, J.; de Backer, A.; den Dekker, A.J.; Van Aert, S. |
Title |
Image-quality evaluation and model selection with maximum a posteriori probability |
Type |
H2 Book chapter |
Year |
2021 |
Publication |
Advances in imaging and electron physics
T2 – Advances in imaging and electron physics |
Abbreviated Journal |
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Volume |
|
Issue |
|
Pages |
215-242 |
Keywords |
H2 Book chapter; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
The maximum a posteriori (MAP) probability rule for atom column detection can also be used as a tool to evaluate the relation between scanning transmission electron microscopy (STEM) image quality and atom detectability. In this chapter, a new image-quality measure is proposed that correlates well with atom detectability, namely the integrated contrast-to-noise ratio (ICNR). Furthermore, the working principle of the MAP probability rule is described in detail showing a close relation to the principles of model-selection methods. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Language |
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Wos |
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Publication Date |
2021-03-06 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
217 |
Series Issue |
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Edition |
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ISSN |
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ISBN |
978-0-12-824607-8; 1076-5670 |
Additional Links |
UA library record |
Impact Factor |
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Times cited |
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Open Access |
Not_Open_Access |
Notes |
ERC Consolidator project funded by the European Union grant #770887 Picometrics |
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:177532 |
Serial |
6782 |
Permanent link to this record |
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Author |
de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S. |
Title |
Introduction |
Type |
H2 Book chapter |
Year |
2021 |
Publication |
Advances in imaging and electron physics
T2 – Advances in imaging and electron physics |
Abbreviated Journal |
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Volume |
|
Issue |
|
Pages |
1-28 |
Keywords |
H2 Book chapter; Electron microscopy for materials research (EMAT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
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Publication Date |
2021-03-06 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
217 |
Series Issue |
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Edition |
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ISSN |
|
ISBN |
978-0-12-824607-8; 1076-5670 |
Additional Links |
UA library record |
Impact Factor |
|
Times cited |
|
Open Access |
Not_Open_Access |
Notes |
ERC Consolidator project funded by the European Union grant #770887 Picometrics |
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:177525 |
Serial |
6784 |
Permanent link to this record |
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Author |
de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S. |
Title |
Optimal experiment design for nanoparticle atom counting from ADF STEM images |
Type |
H2 Book chapter |
Year |
2021 |
Publication |
Advances in imaging and electron physics
T2 – Advances in imaging and electron physics |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
145-175 |
Keywords |
H2 Book chapter; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
In this chapter, the principles of detection theory are used to quantify the probability of error for atom counting from high-resolution scanning transmission electron microscopy (HRSTEM) images. Binary and multiple hypothesis testing have been investigated in order to determine the limits to the precision with which the number of atoms in a projected atomic column can be estimated. The probability of error has been calculated when using STEM images, scattering cross-sections or peak intensities as a criterion to count atoms. Based on this analysis, we conclude that scattering cross-sections perform almost equally well as images and perform better than peak intensities. Furthermore, the optimal STEM detector design can be derived for atom counting using the expression of the probability of error. We show that for very thin objects the low-angle annular dark-field (LAADF) regime is optimal and that for thicker objects the optimal inner detector angle increases. |
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Wos |
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Publication Date |
2021-03-06 |
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Abbreviated Series Title |
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Series Volume |
217 |
Series Issue |
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Edition |
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ISSN |
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ISBN |
978-0-12-824607-8; 1076-5670 |
Additional Links |
UA library record |
Impact Factor |
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Times cited |
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Open Access |
Not_Open_Access |
Notes |
ERC Consolidator project funded by the European Union grant #770887 Picometrics |
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:177530 |
Serial |
6785 |
Permanent link to this record |
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Author |
de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S. |
Title |
Statistical parameter estimation theory : principles and simulation studies |
Type |
H2 Book chapter |
Year |
2021 |
Publication |
Advances in imaging and electron physics
T2 – Advances in imaging and electron physics |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
29-72 |
Keywords |
H2 Book chapter; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
In this chapter, the principles of statistical parameter estimation theory for a quantitative analysis of atomic-resolution electron microscopy images are introduced. Within this framework, electron microscopy images are described by a parametric statistical model. Here, parametric models are introduced for different types of electron microscopy images: reconstructed exit waves, annular dark-field (ADF) scanning transmission electron microscopy (STEM) images, and simultaneously acquired ADF and annular bright-field (ABF) STEM images. Furthermore, the Cramér-Rao lower bound (CRLB) is introduced, i.e. a theoretical lower bound on the variance of any unbiased estimator. This CRLB is used to quantify the precision of the structure parameters of interest, such as the atomic column positions and the integrated atomic column intensities. |
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Wos |
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Publication Date |
2021-03-06 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
217 |
Series Issue |
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Edition |
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ISSN |
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ISBN |
978-0-12-824607-8; 1076-5670 |
Additional Links |
UA library record |
Impact Factor |
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Times cited |
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Open Access |
Not_Open_Access |
Notes |
ERC Consolidator project funded by the European Union grant #770887 Picometrics |
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:177527 |
Serial |
6788 |
Permanent link to this record |
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Author |
Hao, Y.; Velpula, G.; Kaltenegger, M.; Bodlos, W.R.; Vibert, F.; Mali, K.S.; De Feyter, S.; Resel, R.; Geerts, Y.H.; Van Aert, S.; Beljonne, D.; Lazzaroni, R. |
Title |
From 2D to 3D : bridging self-assembled monolayers to a substrate-induced polymorph in a molecular semiconductor |
Type |
A1 Journal article |
Year |
2022 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
34 |
Issue |
5 |
Pages |
2238-2248 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
In this study, a new bottom-up approach is proposed to predict the crystal structure of the substrate-induced polymorph (SIP) of an archetypal molecular semiconductor. In spite of intense efforts, the formation mechanism of SIPs is still not fully understood, and predicting their crystal structure is a very delicate task. Here, we selected lead phthalocyanine (PbPc) as a prototypical molecular material because it is a highly symmetrical yet nonplanar molecule and we demonstrate that the growth and crystal structure of the PbPc SIPs can be templated by the corresponding physisorbed self-assembled molecular networks (SAMNs). Starting from SAMNs of PbPc formed at the solution/graphite interface, the structural and energetic aspects of the assembly were studied by a combination of in situ scanning tunneling microscopy and multiscale computational chemistry approach. Then, the growth of a PbPc SIP on top of the physisorbed monolayer was modeled without prior experimental knowledge, from which the crystal structure of the SIP was predicted. The theoretical prediction of the SIP was verified by determining the crystal structure of PbPc thin films using X-ray diffraction techniques, revealing the formation of a new polymorph of PbPc on the graphite substrate. This study clearly illustrates the correlation between the SAMNs and SIPs, which are traditionally considered as two separate but conceptually connected research areas. This approach is applicable to molecular materials in general to predict the crystal structure of their SIPs. |
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000812125800001 |
Publication Date |
2022-02-17 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756; 1520-5002 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.6 |
Times cited |
|
Open Access |
Not_Open_Access |
Notes |
|
Approved |
Most recent IF: 8.6 |
Call Number |
UA @ admin @ c:irua:189086 |
Serial |
7084 |
Permanent link to this record |
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Author |
Ren, P.; Zhang, T.; Jain, N.; Ching, H.Y.V.; Jaworski, A.; Barcaro, G.; Monti, S.; Silvestre-Albero, J.; Celorrio, V.; Chouhan, L.; Rokicinska, A.; Debroye, E.; Kustrowski, P.; Van Doorslaer, S.; Van Aert, S.; Bals, S.; Das, S. |
Title |
An atomically dispersed Mn-photocatalyst for generating hydrogen peroxide from seawater via the Water Oxidation Reaction (WOR) |
Type |
A1 Journal article |
Year |
2023 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
|
Volume |
145 |
Issue |
30 |
Pages |
16584-16596 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Organic synthesis (ORSY); Theory and Spectroscopy of Molecules and Materials (TSM²) |
Abstract |
In this work, we have fabricatedan aryl amino-substitutedgraphiticcarbon nitride (g-C3N4) catalyst with atomicallydispersed Mn capable of generating hydrogen peroxide (H2O2) directly from seawater. This new catalyst exhibitedexcellent reactivity, obtaining up to 2230 & mu;M H2O2 in 7 h from alkaline water and up to 1800 & mu;Mfrom seawater under identical conditions. More importantly, the catalystwas quickly recovered for subsequent reuse without appreciable lossin performance. Interestingly, unlike the usual two-electron oxygenreduction reaction pathway, the generation of H2O2 was through a less common two-electron water oxidation reaction(WOR) process in which both the direct and indirect WOR processesoccurred; namely, photoinduced h(+) directly oxidized H2O to H2O2 via a one-step 2e(-) WOR, and photoinduced h(+) first oxidized a hydroxide (OH-) ion to generate a hydroxy radical ((OH)-O-& BULL;), and H2O2 was formed indirectly by thecombination of two (OH)-O-& BULL;. We have characterized thematerial, at the catalytic sites, at the atomic level using electronparamagnetic resonance, X-ray absorption near edge structure, extendedX-ray absorption fine structure, high-resolution transmission electronmicroscopy, X-ray photoelectron spectroscopy, magic-angle spinningsolid-state NMR spectroscopy, and multiscale molecular modeling, combiningclassical reactive molecular dynamics simulations and quantum chemistrycalculations. |
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Wos |
001034983300001 |
Publication Date |
2023-07-24 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0002-7863 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
15 |
Times cited |
21 |
Open Access |
Not_Open_Access |
Notes |
S.D. thanks the IOF grant and Francqui start up grant from the University of Antwerp, Belgium, for the financial support. P.R. thanks CSC and T.Z. thanks FWO for their financial assistance to finish this work. E.D. would like to thank the KU Leuven Research Fund for financial support through STG/21/010. J.S.A. acknowledges financial support from MCIN/AEI/10.13039/501100011033 and EU NextGeneration/PRTR (Project PCI2020-111968/3D-Photocat) and Diamond Synchrotron (rapid access proposal SP32609). This work was supported by the European Research Council (grant 770887-PICOMETRICS to S.V.A. and Grant 815128-REALNANO to S.B.). S.B. and S.V.A. acknowledge financial support from the Research Foundation Flanders (FWO, Belgium, project G.0346.21 N). We also thank Mr. Jian Zhu and Mr. Shahid Ullah Khan from the University of Antwerp, Belgium, for helpful discussions. |
Approved |
Most recent IF: 15; 2023 IF: 13.858 |
Call Number |
UA @ admin @ c:irua:198426 |
Serial |
8831 |
Permanent link to this record |
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Author |
Zhang, Z.; Lobato, I.; Brown, H.; Jannis, D.; Verbeeck, J.; Van Aert, S.; Nellist, P. |
Title |
Generalised oscillator strength for core-shell electron excitation by fast electrons based on Dirac solutions |
Type |
Dataset |
Year |
2023 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
Dataset; Electron microscopy for materials research (EMAT) |
Abstract |
Inelastic excitation as exploited in Electron Energy Loss Spectroscopy (EELS) contains a rich source of information that is revealed in the scattering process. To accurately quantify core-loss EELS, it is common practice to fit the observed spectrum with scattering cross-sections calculated using experimental parameters and a Generalized Oscillator Strength (GOS) database [1]. The GOS is computed using Fermi’s Golden Rule and orbitals of bound and excited states. Previously, the GOS was based on Hartree-Fock solutions [2], but more recently Density Functional Theory (DFT) has been used [3]. In this work, we have chosen to use the Dirac equation to incorporate relativistic effects and have performed calculations using Flexible Atomic Code (FAC) [4]. This repository contains a tabulated GOS database based on Dirac solutions for computing double differential cross-sections under experimental conditions. We hope the Dirac-based GOS database can benefit the EELS community for both academic use and industry integration. Database Details: – Covers all elements (Z: 1-108) and all edges – Large energy range: 0.01 – 4000 eV – Large momentum range: 0.05 -50 Å-1 – Fine log sampling: 128 points for energy and 256 points for momentum – Data format: GOSH [3] Calculation Details: – Single atoms only; solid-state effects are not considered – Unoccupied states before continuum states of ionization are not considered; no fine structure – Plane Wave Born Approximation – Frozen Core Approximation is employed; electrostatic potential remains unchanged for orthogonal states when – core-shell electron is excited – Self-consistent Dirac–Fock–Slater iteration is used for Dirac calculations; Local Density Approximation is assumed for electron exchange interactions; continuum states are normalized against asymptotic form at large distances – Both large and small component contributions of Dirac solutions are included in GOS – Final state contributions are included until the contribution of the previous three states falls below 0.1%. A convergence log is provided for reference. Version 1.1 release note: – Update to be consistent with GOSH data format [3], all the edges are now within a single hdf5 file. A notable change in particular, the sampling in momentum is in 1/m, instead of previously in 1/Å. Great thanks to Gulio Guzzinati for his suggestions and sending conversion script. Version 1.2 release note: – Add “File Type / File version” information [1] Verbeeck, J., and S. Van Aert. Ultramicroscopy 101.2-4 (2004): 207-224. [2] Leapman, R. D., P. Rez, and D. F. Mayers. The Journal of Chemical Physics 72.2 (1980): 1232-1243. [3] Segger, L, Guzzinati, G, & Kohl, H. Zenodo (2023). doi:10.5281/zenodo.7645765 [4] Gu, M. F. Canadian Journal of Physics 86(5) (2008): 675-689. |
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UA library record |
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Open Access |
Not_Open_Access |
Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:203392 |
Serial |
9042 |
Permanent link to this record |
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Author |
Hugenschmidt, M.; Jannis, D.; Kadu, A.A.; Grünewald, L.; De Marchi, S.; Perez-Juste, J.; Verbeeck, J.; Van Aert, S.; Bals, S. |
Title |
Low-dose 4D-STEM tomography for beam-sensitive nanocomposites |
Type |
A1 Journal article |
Year |
2023 |
Publication |
ACS materials letters |
Abbreviated Journal |
|
Volume |
6 |
Issue |
1 |
Pages |
165-173 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Electron tomography is essential for investigating the three-dimensional (3D) structure of nanomaterials. However, many of these materials, such as metal-organic frameworks (MOFs), are extremely sensitive to electron radiation, making it difficult to acquire a series of projection images for electron tomography without inducing electron-beam damage. Another significant challenge is the high contrast in high-angle annular dark field scanning transmission electron microscopy that can be expected for nanocomposites composed of a metal nanoparticle and an MOF. This strong contrast leads to so-called metal artifacts in the 3D reconstruction. To overcome these limitations, we here present low-dose electron tomography based on four-dimensional scanning transmission electron microscopy (4D-STEM) data sets, collected using an ultrafast and highly sensitive direct electron detector. As a proof of concept, we demonstrate the applicability of the method for an Au nanostar embedded in a ZIF-8 MOF, which is of great interest for applications in various fields, including drug delivery. |
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Wos |
001141178500001 |
Publication Date |
2023-12-11 |
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Edition |
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ISSN |
2639-4979 |
ISBN |
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Additional Links |
UA library record; WoS full record |
Impact Factor |
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Times cited |
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Open Access |
Not_Open_Access |
Notes |
This work was supported by the European Research Council (Grant 815128 REALNANO to S.B., Grant 770887 PICOMETRICS to S.V.A.). J.P.-J. and S.M. acknowledge financial support from the MCIN/AEI/10.13039/501100011033 (Grants No. PID2019-108954RB-I00) and EU Horizon 2020 research and innovation program under grant agreement no. 883390 (SERSing). J.V., S.B., S.V.A., and L.G. acknowledge funding from the Flemish government (iBOF-21-085 PERsist). |
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:202771 |
Serial |
9053 |
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Author |
Grünewald, L.; Chezganov, D.; De Meyer, R.; Orekhov, A.; Van Aert, S.; Bogaerts, A.; Bals, S.; Verbeeck, J. |
Title |
Supplementary Information for “In-situ Plasma Studies using a Direct Current Microplasma in a Scanning Electron Microscope” |
Type |
Dataset |
Year |
2023 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
Dataset; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Supplementary information for the article “In-situ Plasma Studies using a Direct Current Microplasma in a Scanning Electron Microscope” containing the videos of in-situ SEM imaging (mp4 files), raw data/images, and Jupyter notebooks (ipynb files) for data treatment and plots. Link to the preprint: https://doi.org/10.48550/arXiv.2308.15123 Explanation of the data files can be found in the Information.pdf file. The Videos folder contains the in-situ SEM image series mentioned in the paper. If there are any questions/bugs, feel free to contact me at lukas.grunewaldatuantwerpen.be |
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UA library record |
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Open Access |
Not_Open_Access |
Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:203389 |
Serial |
9100 |
Permanent link to this record |
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Author |
Martinez, G.T.; van den Bos, K.H.W.; Alania, M.; Nellist, P.D.; Van Aert, S. |
Title |
Thickness dependence of scattering cross-sections in quantitative scanning transmission electron microscopy |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
Volume |
187 |
Issue |
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Pages |
84-92 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
In quantitative scanning transmission electron microscopy (STEM), scattering cross-sections have been shown to be very sensitive to the number of atoms in a column and its composition. They correspond to the integrated intensity over the atomic column and they outperform other measures. As compared to atomic column peak intensities, which saturate at a given thickness, scattering cross-sections increase monotonically. A study of the electron wave propagation is presented to explain the sensitivity of the scattering cross-sections. Based on the multislice algorithm, we analyse the wave propagation inside the crystal and its link to the scattered signal for the different probe positions contained in the scattering cross-section for detector collection in the low-, middle- and high-angle regimes. The influence to the signal from scattering of neighbouring columns is also discussed. |
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Wos |
000428131200011 |
Publication Date |
2018-01-31 |
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Series Issue |
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Edition |
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ISSN |
0304-3991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.843 |
Times cited |
4 |
Open Access |
Not_Open_Access: Available from 01.02.2020
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Notes |
The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings ( G.0374.13N , G.0369.15N , G.0368.15N and WO.010.16N ) and a PhD grant to K.H.W.v.d.B. The research leading to these results has received funding from the European Union 7th Framework Programme [ FP7 /2007-2013] under Grant agreement no. 312483 (ESTEEM2). The authors are grateful to A. Rosenauer for providing access to the StemSim software. |
Approved |
Most recent IF: 2.843 |
Call Number |
EMAT @ emat @c:irua:149384 |
Serial |
4809 |
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Author |
Van Aert, S.; De Backer, A.; Martinez, G.T.; den Dekker, A.J.; Van Dyck, D.; Bals, S.; Van Tendeloo, G. |
Title |
Advanced electron crystallography through model-based imaging |
Type |
A1 Journal article |
Year |
2016 |
Publication |
IUCrJ |
Abbreviated Journal |
Iucrj |
Volume |
3 |
Issue |
3 |
Pages |
71-83 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab; Engineering Management (ENM) |
Abstract |
The increasing need for precise determination of the atomic arrangement of non-periodic structures in materials design and the control of nanostructures explains the growing interest in quantitative transmission electron microscopy. The aim is to extract precise and accurate numbers for unknown structure parameters including atomic positions, chemical concentrations and atomic numbers. For this purpose, statistical parameter estimation theory has been shown to provide reliable results. In this theory, observations are considered purely as data planes, from which structure parameters have to be determined using a parametric model describing the images. As such, the positions of atom columns can be measured with a precision of the order of a few picometres, even though the resolution of the electron microscope is still one or two orders of magnitude larger. Moreover, small differences in average atomic number, which cannot be distinguished visually, can be quantified using high-angle annular dark-field scanning transmission electron microscopy images. In addition, this theory allows one to measure compositional changes at interfaces, to count atoms with single-atom sensitivity, and to reconstruct atomic structures in three dimensions. This feature article brings the reader up to date, summarizing the underlying theory and highlighting some of the recent applications of quantitative model-based transmisson electron microscopy. |
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000368590900010 |
Publication Date |
2015-11-13 |
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Edition |
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ISSN |
2052-2525; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.793 |
Times cited |
30 |
Open Access |
OpenAccess |
Notes |
The authors gratefully acknowledge the Research Foundation Flanders (FWO, Belgium) for funding and for a PhD grant to ADB. The research leading to these results has received funding from the European Union 7th Framework Program (FP7/20072013) under grant agreement No. 312483 (ESTEEM2). SB and GVT acknowledge the European Research Council under the 7th Framework Program (FP7), ERC grant No. 335078 – COLOURATOMS and ERC grant No. 246791 – COUNTATOMS.; esteem2jra2; ECASSara; (ROMEO:green; preprint:; postprint:can ; pdfversion:can); |
Approved |
Most recent IF: 5.793 |
Call Number |
c:irua:129589 c:irua:129589 |
Serial |
3965 |
Permanent link to this record |