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Author Lichte, H.; Dunin-Borkowski, R.; Tillmann, K.; Van Aert, S.; Van Tendeloo, G.
Title 65th birthdays of W. Owen Saxton, David J. Smith and Dirk Van Dyck / PICO 2013 From multislice to big bang Type ME3 Book as editor
Year 2013 Publication Abbreviated Journal
Volume Issue Pages
Keywords ME3 Book as editor; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (up) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:109918 Serial 19
Permanent link to this record
 
 
Author Van Aert, S.; Batenburg, J.; Van Tendeloo, S.
Title Atomen tellen Type A3 Journal article
Year 2011 Publication Nederlands tijdschrift voor natuurkunde (1991) Abbreviated Journal
Volume 77 Issue 8 Pages 292-295
Keywords A3 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0926-4264 ISBN Additional Links UA library record
Impact Factor Times cited (up) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:94119 Serial 164
Permanent link to this record
 
 
Author Schryvers, D.; Van Aert, S.
Title High-resolution visualization techniques : structural aspects Type H1 Book chapter
Year 2012 Publication Abbreviated Journal
Volume Issue Pages 135-149
Keywords H1 Book chapter; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Springer Place of Publication Berlin Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN 978-3-642-20942-0 Additional Links UA library record
Impact Factor Times cited (up) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:94124 Serial 1464
Permanent link to this record
 
 
Author Van Aert, S.
Title Meer zien met onzichtbaar licht Type A2 Journal article
Year 2007 Publication Karakter : tijdschrift van wetenschap Abbreviated Journal
Volume 18 Issue Pages 19-21
Keywords A2 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Leuven Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1379-0390 ISBN Additional Links UA library record
Impact Factor Times cited (up) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:68658 Serial 1982
Permanent link to this record
 
 
Author Van Aert, S.; den Dekker, A.J.; van Dyck, D.; van den Bos, A.
Title The notion of resolution Type H3 Book chapter
Year 2008 Publication Abbreviated Journal
Volume Issue Pages 1228-1265
Keywords H3 Book chapter; Electron microscopy for materials research (EMAT); Vision lab
Abstract
Address
Corporate Author Thesis
Publisher Springer Place of Publication Berlin Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (up) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:68656 Serial 2370
Permanent link to this record
 
 
Author Van Aert, S.; den Dekker, A.J.; van Dyck, D.; van den Bos, A.
Title The notion of resolution Type H3 Book chapter
Year 2007 Publication Abbreviated Journal
Volume Issue Pages 1228-1265
Keywords H3 Book chapter; Electron microscopy for materials research (EMAT); Vision lab
Abstract
Address
Corporate Author Thesis
Publisher Springer Place of Publication Berlin Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (up) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:68657 Serial 2371
Permanent link to this record
 
 
Author van Dyck, D.; Van Aert, S.; Croitoru, M.D.
Title Obstacles on the road towards atomic resolution tomography Type A3 Journal article
Year 2005 Publication Microscoy and microanalysis Abbreviated Journal
Volume 11 Issue S2 Pages 238-239
Keywords A3 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Vision lab
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (up) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:57129 Serial 2426
Permanent link to this record
 
 
Author Van Aert, S.
Title Statistical parameter estimation theory : a tool for quantitative electron microscopy Type H1 Book chapter
Year 2012 Publication Abbreviated Journal
Volume Issue Pages 281-309
Keywords H1 Book chapter; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Wiley-VCH Place of Publication Weinheim Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN 978-3-527-31706-6 Additional Links UA library record
Impact Factor Times cited (up) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:96693 Serial 3159
Permanent link to this record
 
 
Author Batenburg, J.; Van Aert, S.
Title Three-dimensional reconstruction of a nanoparticle at atomic resolution Type A2 Journal article
Year 2011 Publication ERCIM news Abbreviated Journal
Volume 86 Issue Pages 52
Keywords A2 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Le Chesnay Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0926-4981 ISBN Additional Links UA library record
Impact Factor Times cited (up) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:94120 Serial 3655
Permanent link to this record
 
 
Author Liao, Z.L.; Green, R.J.; Gauquelin, N.; Gonnissen, J.; Van Aert, S.; Verbeeck, J.; et al.
Title Engineering properties by long range symmetry propagation initiated at perovskite heterostructure interface Type A1 Journal article
Year 2016 Publication Advanced functional materials Abbreviated Journal Adv Funct Mater
Volume Issue Pages 1-25
Keywords A1 Journal article; 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 induce an accompanying change in their properties. In perovskite materials, the crystal symmetry can be described by rotations of 6-fold coordinated transition metal oxygen octahedra, which are found to be altered at interfaces. Here, we unravel how the local oxygen octahedral coupling (OOC) at perovskite heterostructural interfaces initiates a different symmetry in epitaxial films and provide design rules to induce various symmetries in thin films by careful selecting appropriate combinations of substrate/buffer/film. Very interestingly we discovered that these combinations lead to symmetry changes throughout the full thickness of the film. Our results provide a deep insight into understanding the origin of induced crystal symmetry in a perovskite heterostructure and an intelligent route to achieve unique functional properties.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1616-301x ISBN Additional Links UA library record
Impact Factor 12.124 Times cited (up) Open Access
Notes Approved Most recent IF: 12.124
Call Number UA @ lucian @ c:irua:134842 Serial 4176
Permanent link to this record
 
 
Author Jones, L.; Martinez, G.T.; Béché, A.; Van Aert, S.; Nellist, P.D.
Title Getting the best from an imperfect detector : an alternative normalisation procedure for quantitative HAADF STEM Type A1 Journal article
Year 2014 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
Volume 20 Issue S3 Pages 126-127
Keywords A1 Journal article; Engineering Management (ENM); Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge, Mass. Editor
Language Wos Publication Date 2014-08-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1431-9276 ISBN Additional Links UA library record
Impact Factor 1.891 Times cited (up) Open Access
Notes Approved Most recent IF: 1.891; 2014 IF: 1.877
Call Number UA @ lucian @ c:irua:136445 Serial 4500
Permanent link to this record
 
 
Author Van Aert, S.; den Dekker, A.J.; van den Bos, A.; Van Dyck, D.
Title High resolution electron microscopy from imaging towards measuring Type H2 Book chapter
Year 2001 Publication ... IEEE International Instrumentation and Measurement Technology Conference T2 – Rediscovering measurement in the age of informatics : proceedings of the 18th IEEE Instrumentation and Measurement Technology Conference (IMTC), 2001: vol 3 Abbreviated Journal
Volume Issue Pages 2081-2086
Keywords H2 Book chapter; Electron microscopy for materials research (EMAT); Vision lab
Abstract
Address
Corporate Author Thesis
Publisher Ieee Place of Publication Editor
Language Wos Publication Date 2002-11-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN 0-7803-6646-8 Additional Links UA library record
Impact Factor Times cited (up) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:136870 Serial 4501
Permanent link to this record
 
 
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 A1 Journal article
Year 2015 Publication Journal of physics : conference series Abbreviated Journal
Volume 644 Issue Pages 012034-4
Keywords A1 Journal article; 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 atomcounting diagnosed by combining a thorough statistical method and detailed image simulations.
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1742-6588; 1742-6596 ISBN Additional Links UA library record
Impact Factor Times cited (up) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:129198 Serial 4506
Permanent link to this record
 
 
Author Van Aert, S.; Bals, S.; Chang, L.Y.; den Dekker, A.J.; Kirkland, A.I.; Van Dyck, D.; Van Tendeloo, G.
Title The benefits of statistical parameter estimation theory for quantitative interpretation of electron microscopy data Type H1 Book chapter
Year 2008 Publication Abbreviated Journal
Volume Issue Pages 97-98
Keywords H1 Book chapter; Electron microscopy for materials research (EMAT); Vision lab
Abstract
Address
Corporate Author Thesis
Publisher Springer Place of Publication Berlin Editor
Language Wos Publication Date 2009-03-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN 978-3-540-85154-7 Additional Links UA library record
Impact Factor Times cited (up) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:136865 Serial 4493
Permanent link to this record
 
 
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
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2016-12-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-3-527-80846-5 ISBN Additional Links UA library record
Impact Factor Times cited (up) 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
 
 
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.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000812125800001 Publication Date 2022-02-17
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 8.6 Times cited (up) 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
 
 
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.
Address
Corporate Author Thesis
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 (up) Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:189462 Serial 7089
Permanent link to this record
 
 
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 Abbreviated Journal
Volume Issue Pages
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.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (up) Open Access Not_Open_Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:203392 Serial 9042
Permanent link to this record
 
 
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 Abbreviated Journal
Volume Issue Pages
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
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (up) Open Access Not_Open_Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:203389 Serial 9100
Permanent link to this record
 
 
Author Cioni, M.; Delle Piane, M.; Polino, D.; Rapetti, D.; Crippa, M.; Arslan Irmak, E.; Pavan, G.M.; Van Aert, S.; Bals, S.
Title Data for Sampling Real‐Time Atomic Dynamics in Metal Nanoparticles by Combining Experiments, Simulations, and Machine Learning Type Dataset
Year 2024 Publication Abbreviated Journal
Volume Issue Pages
Keywords Dataset; 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 allows 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.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (up) Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:205843 Serial 9143
Permanent link to this record
 
 
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
Corporate Author Thesis
Publisher Place of Publication Editor
Language 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 Times cited (up) Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:205442 Serial 9171
Permanent link to this record
 
 
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
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001177577200001 Publication Date 2024-02-28
Series Editor 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 Times cited (up) Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:204856 Serial 9172
Permanent link to this record
 
 
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.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001176343700001 Publication Date 2024-02-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited (up) Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:204754 Serial 9174
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Author Wang, A.; Turner, S.; Van Aert, S.; van Dyck, D.
Title An alternative approach to determine attainable resolution directly from HREM images Type A1 Journal article
Year 2013 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 133 Issue Pages 50-61
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract The concept of resolution in high-resolution electron microscopy (HREM) is the power to resolve neighboring atoms. Since the resolution is related to the width of the point spread function of the microscope, it could in principle be determined from the image of a point object. However, in electron microscopy there are no ideal point objects. The smallest object is an individual atom. If the width of an atom is much smaller than the resolution of the microscope, this atom can still be considered as a point object. As the resolution of the microscope enters the sub-Å regime, information about the microscope is strongly entangled with the information about the atoms in HREM images. Therefore, we need to find an alternative method to determine the resolution in an object-independent way. In this work we propose to use the image wave of a crystalline object in zone axis orientation. Under this condition, the atoms of a column act as small lenses so that the electron beam channels through the atom column periodically. Because of this focusing, the image wave of the column can be much more peaked than the constituting atoms and can thus be a much more sensitive probe to measure the resolution. Our approach is to use the peakiness of the image wave of the atom column to determine the resolution. We will show that the resolution can be directly linked to the total curvature of the atom column wave. Moreover, we can then directly obtain the resolution of the microscope given that the contribution from the object is known, which is related to the bounding energy of the atom. The method is applied on an experimental CaTiO3 image wave.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000324471800007 Publication Date 2013-05-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991; ISBN Additional Links UA library record; WoS full record
Impact Factor 2.843 Times cited (up) Open Access
Notes FWO; Hercules; Esteem2; esteem2_jra2 Approved Most recent IF: 2.843; 2013 IF: 2.745
Call Number UA @ lucian @ c:irua:109919 Serial 90
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Author Van Aert, S.
Title Atomen in 3D : Antwerpenaren brengen atomaire structuur nanodeeltjes in beeld Type Newspaper/Magazine/blog article
Year 2011 Publication Chemie magazine Abbreviated Journal
Volume 7 Issue 3 Pages 9
Keywords Newspaper/Magazine/blog article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0379-7651 ISBN Additional Links UA library record
Impact Factor Times cited (up) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:94122 Serial 163
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Author Verbeeck, J.; Van Aert, S.; Zhang, L.; Haiyan, T.; Schattschneider, P.; Rosenauer, A.
Title Computational aspects in quantitative EELS Type A1 Journal article
Year 2010 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
Volume 16 Issue S:2 Pages 240-241
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge, Mass. Editor
Language Wos Publication Date 2010-08-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1431-9276;1435-8115; ISBN Additional Links UA library record
Impact Factor 1.891 Times cited (up) Open Access
Notes Approved Most recent IF: 1.891; 2010 IF: 3.259
Call Number UA @ lucian @ c:irua:96556UA @ admin @ c:irua:96556 Serial 454
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Author Schryvers, D.; Van Aert, S.; Delville, R.; Idrissi, H.; Turner, S.; Salje, E.K.H.
Title Dedicated TEM on domain boundaries from phase transformations and crystal growth Type A1 Journal article
Year 2013 Publication Phase transitions Abbreviated Journal Phase Transit
Volume 86 Issue 1 Pages 15-22
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Investigating domain boundaries and their effects on the behaviour of materials automatically implies the need for detailed knowledge on the structural aspects of the atomic configurations at these interfaces. Not only in view of nearest neighbour interactions but also at a larger scale, often surpassing the unit cell, the boundaries can contain structural elements that do not exist in the bulk. In the present contribution, a number of special boundaries resulting from phase transformations or crystal growth and those recently investigated by advanced transmission electron microscopy techniques in different systems will be reviewed. These include macrotwins between microtwinned martensite plates in NiAl, austenite-single variant martensite habit planes in low hysteresis NiTiPd, nanotwins in non-textured nanostructured Pd and ferroelastic domain boundaries in CaTiO3. In all discussed cases these boundaries play an essential role in the properties of the respective materials.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000312586700003 Publication Date 2012-12-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0141-1594;1029-0338; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.06 Times cited (up) Open Access
Notes Fwo; Iap Approved Most recent IF: 1.06; 2013 IF: 1.044
Call Number UA @ lucian @ c:irua:101222 Serial 612
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Author Rosenauer, A.; Gerthsen, D.; Van Aert, S.; van Dyck, D.; den Dekker, A.J.
Title Present state of the composition evaluation of ternary semiconductor nanostructures by lattice fringe analysis Type A1 Journal article
Year 2003 Publication Institute of physics conference series Abbreviated Journal
Volume Issue 180 Pages 19-22
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract Semiconductor heterostructures are used for the fabrication of optoelectronic devices. Performance of such devices is governed by their chemical morphology. The composition distribution of quantum wells and dots is influenced by kinetic growth processes which are not understood completely at present. To obtain more information about these effects, methods for composition determination with a spatial resolution at a near atomic scale are necessary. In this paper we focus on the present state of the composition evaluation by the lattice fringe analysis (CELFA) technique and explain the basic ideas, optimum imaging conditions, precision and accuracy.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0-7503-0979-2 ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited (up) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:95118 Serial 2710
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Author Bals, S.; Van Aert, S.; Van Tendeloo, G.; van Dyck, D.; Avila-Brande, D.
Title Statistical estimation of oxygen atomic positions eith sub Ångstrom precision from exit wave reconstruction Type A3 Journal article
Year 2005 Publication Microscopy and microanalysis Abbreviated Journal
Volume 11 Issue S Pages 556-557
Keywords A3 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (up) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:54881 Serial 3155
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Author Bals, S.; Van Aert, S.; Verbeeck, J.; Van Tendeloo, G.
Title Structural, chemical and electronic characterization of ceramic materials using quantitative (scanning) transmission electron microscopy Type A1 Journal article
Year 2007 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
Volume 13 Issue S:3 Pages 332-333
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge, Mass. Editor
Language Wos Publication Date 2008-02-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1431-9276;1435-8115; ISBN Additional Links UA library record
Impact Factor 1.891 Times cited (up) Open Access
Notes Approved Most recent IF: 1.891; 2007 IF: 1.941
Call Number UA @ lucian @ c:irua:96553 Serial 3224
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