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Author |
Beckwee, E.J.; Watson, G.; Houlleberghs, M.; Arenas Esteban, D.; Bals, S.; Van Der Voort, P.; Breynaert, E.; Martens, J.; Baron, G.V.; Denayer, J.F.M. |
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Title |
Enabling hydrate-based methane storage under mild operating conditions by periodic mesoporous organosilica nanotubes |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Heliyon |
Abbreviated Journal |
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Volume |
9 |
Issue |
7 |
Pages |
e17662-14 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Biomethane is a renewable natural gas substitute produced from biogas. Storage of this sustainable energy vector in confined clathrate hydrates, encapsulated in the pores of a host material, is a highly promising avenue to improve storage capacity and energy efficiency. Herein, a new type of periodic mesoporous organosilica (PMO) nanotubes, referred to as hollow ring PMO (HR-PMO), capable of promoting methane clathrate hydrate formation under mild working conditions (273 K, 3.5 MPa) and at high water loading (5.1 g water/g HR-PMO) is reported. Gravimetric uptake measurements reveal a steep single-stepped isotherm and a noticeably high methane storage capacity (0.55 g methane/g HR-PMO; 0.11 g methane/g water at 3.5 MPa). The large working capacity throughout consecutive pressure-induced clathrate hydrate formationdissociation cycles demonstrates the material's excellent recyclability (97% preservation of capacity). Supported by ex situ cryo-electron tomography and x-ray diffraction, HR-PMO nanotubes are hypothesized to promote clathrate hydrate nucleation and growth by distribution and confinement of water in the mesopores of their outer wall, along the central channels of the nanotubes and on the external nanotube surface. These findings showcase the potential for application of organosilica materials with hierarchical and interconnected pore systems for pressure-based storage of biomethane in confined clathrate hydrates. |
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001056264100001 |
Publication Date |
2023-06-28 |
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ISSN |
2405-8440 |
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UA library record; WoS full record; WoS citing articles |
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Times cited |
4 |
Open Access |
OpenAccess |
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Notes |
E.J.B., G.W. and M.H. contributed equally to this work. M.H. acknowledges FWO for an FWO-SB fellowship. All authors acknowledge VLAIO for Moonshot funding (ARCLATH, n ? HBC.2019.0110, ARCLATH2, n ? HBC.2021.0254) . J.A.M. acknowledges the Flemish Government for long-term structural funding (Methusalem) and department EWI for infrastructure investment via the Hermes Fund (AH.2016.134) . NMRCoRe acknowledges the Flemish government, department EWI for financial support as International Research Infrastructure (I001321N: Nuclear Magnetic Resonance Spectroscopy Platform for Molecular Water Research) . J.A.M. acknowledges the European Research Council (ERC) for an Advanced Research Grant under the European Union's Horizon 2020 research and innovation program under grant agreement No. 834134 (WATUSO) . S.B acknowledges financial support by the Research Foundation Flanders (FWO grant G.0381.16N) . This project also received funding from the European Union's Horizon 2020 research and innovation program under grant agreement No 731019 (EUSMI) and No 815128 (REALNANO) . |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:199249 |
Serial |
8862 |
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Author |
Lobato, I.; Friedrich, T.; Van Aert, S. |
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Title |
Deep convolutional neural networks to restore single-shot electron microscopy images |
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A1 Journal article |
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Year |
2024 |
Publication |
N P J Computational Materials |
Abbreviated Journal |
npj Comput Mater |
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Volume |
10 |
Issue |
1 |
Pages |
10 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Advanced electron microscopy techniques, including scanning electron microscopes (SEM), scanning transmission electron microscopes (STEM), and transmission electron microscopes (TEM), have revolutionized imaging capabilities. However, achieving high-quality experimental images remains a challenge due to various distortions stemming from the instrumentation and external factors. These distortions, introduced at different stages of imaging, hinder the extraction of reliable quantitative insights. In this paper, we will discuss the main sources of distortion in TEM and S(T)EM images, develop models to describe them, and propose a method to correct these distortions using a convolutional neural network. We validate the effectiveness of our method on a range of simulated and experimental images, demonstrating its ability to significantly enhance the signal-to-noise ratio. This improvement leads to a more reliable extraction of quantitative structural information from the images. In summary, our findings offer a robust framework to enhance the quality of electron microscopy images, which in turn supports progress in structural analysis and quantification in materials science and biology. |
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001138183000001 |
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2024-01-09 |
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2057-3960 |
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UA library record; WoS full record; WoS citing articles |
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OpenAccess |
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Notes |
This work was supported by the European Research Council (Grant 770887 PICOMETRICS to S.V.A.). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G034621N, G0A7723N and EOS 40007495). S.V.A. acknowledges funding from the University of Antwerp Research Fund (BOF). The authors thank Lukas Grünewald for data acquisition and support for Fig. 7. |
Approved |
Most recent IF: NA |
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Call Number |
EMAT @ emat @c:irua:202714 |
Serial |
8994 |
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Author |
Yu, R.; Zeng, W.; Zhou, L.; Van Tendeloo, G.; Mai, L.; Yao, Z.; Wu, J. |
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Title |
Layer-by-layer delithiation during lattice collapse as the origin of planar gliding and microcracking in Ni-rich cathodes |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Cell reports physical science |
Abbreviated Journal |
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Volume |
4 |
Issue |
7 |
Pages |
101480-14 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
High-energy-density nickel (Ni)-rich cathode materials are used in commercial lithium (Li)-ion batteries for electric vehicles, but they suffer from severe structural degradation upon cycling. Planar gliding and microcracking are seeds for fatal mechanical fracture, but their origin remains unclear. Herein, we show that “layer-by -layer delithiation”is activated at high voltages during the charge process when the “lattice collapse”(a characteristic high-voltage lattice evolution in Ni-rich cathodes) occurs. Layer-by-layer deli-thiation is evidenced by direct observation of the consecutive lattice collapse using in situ scanning transmission electron micro-scopy (STEM). The collapsing of the lattice initiates in the expanded planes and consecutively extends to the whole crystal. Localized strain will be induced at lattice-collapsing interface where planar gliding and intragranular microcracks are generated to release this strain. Our study reveals that layer-by-layer delithia-tion during lattice collapse is the fundamental origin of the mechanical instability in single-crystalline Ni-rich cathodes. |
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001048074500001 |
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2023-06-30 |
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UA library record; WoS full record; WoS citing articles |
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OpenAccess |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:198299 |
Serial |
8893 |
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Author |
Friedrich, T. |
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Title |
Quantifying atomic structures using neural networks from 4D scanning transmission electron microscopy (STEM) datasets |
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Doctoral thesis |
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Year |
2023 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
127 p. |
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Abstract |
Nanoscience and nanotechnologies are of immense importance across many fields of science and for numerous practical applications. In this context, scanning transmission electron microscopy (STEM) and 4D-STEM are among the most powerful characterization methods at the atomic scale. Annular dark-field (ADF)-STEM can be used to quantify atomic structures in 3D by counting atoms based on a single projection image. In 4D-STEM a full diffraction pattern is recorded at each scan step, which enables more dose efficient imaging and the utilization of various advanced imaging modalities, which can however be complex and slow. Both, STEM and 4D-STEM suffer from noise and distortions. In the first section of this work the most important of these distortions are discussed and it is shown how image restoration with a dedicated convolutional neural network (CNN) can be beneficial for atomic structure quantifications in ADF-STEM. In the second part, a new 4D-STEM imaging method real-time-integrated-centre-of-mass (riCOM) is introduced, which is a very dose-efficient and fast algorithm that enables unprecedented live-imaging capabilities for 4D-STEM. It is based on the integrated centre-of-mass approach, but is reformulated with variable integration ranges and optional filters, which allows for a tunable contrast transfer function. This enables the imaging of light and heavy elements simultaneously at very low doses. In the third part another new 4D-STEM method, coined AIRPI (AI-assisted rapid phase imaging) is introduced, which uses a CNN to retrieve a patch of the specimen's phase image for each scan position, based on the diffraction patterns in the probe's immediate surroundings. This allows also live imaging in principle and surpasses comparable state-of-the-art algorithms in terms of resolution also at low doses. Different atomic columns can be reliably distinguished over a wide range of atomic numbers, enabling a very good image interpretability. Further, AIRPI can recover low frequency image components, which preserves thickness information. This is a unique and important feature which could make quantitative 4D-STEM feasible. |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:196826 |
Serial |
8919 |
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Bhatia, H.; Keshavarz, M.; Martin, C.; Van Gaal, L.; Zhang, Y.; de Coen, B.; Schrenker, N.J.; Valli, D.; Ottesen, M.; Bremholm, M.; Van de Vondel, J.; Bals, S.; Hofkens, J.; Debroye, E. |
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Title |
Achieving High Moisture Tolerance in Pseudohalide Perovskite Nanocrystals for Light-Emitting Diode Application |
Type |
A1 Journal Article |
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Year |
2023 |
Publication |
ACS Applied Optical Materials |
Abbreviated Journal |
ACS Appl. Opt. Mater. |
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Volume |
1 |
Issue |
6 |
Pages |
1184-1191 |
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Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
The addition of potassium thiocyanate (KSCN) to the FAPbBr3 structure and subsequent post-treatment of nanocrystals (NCs) lead to high quantum confinement, resulting in a photoluminescent quantum yield (PLQY) approaching unity and microsecond decay times. This synergistic approach demonstrated exceptional stability under humid conditions, retaining 70% of the PLQY for over a month, while the untreated NCs degrade within 24 h. Additionally, the devices incorporating the post-treated NCs displayed 1.5% external quantum efficiency (EQE), a 5-fold improvement over untreated devices. These results provide promising opportunities for the use of perovskites in moisture-stable optoelectronics. |
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2023-06-23 |
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2771-9855 |
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UA library record |
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OpenAccess |
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Notes |
Hercules Foundation, HER/11/14 ; European Commission; Ministerio de Ciencia e Innovaci?n, PID2021-128761OA-C22 ; European Regional Development Fund; Vlaamse regering, CASAS2 Meth/15/04 ; Fonds Wetenschappelijk Onderzoek, 1238622N 1514220N 1S45223N G.0B39.15 G.0B49.15 G098319N S002019N ZW15_09-GOH6316 ; Onderzoeksraad, KU Leuven, C14/19/079 db/21/006/bm iBOF-21-085 STG/21/010 ; Junta de Comunidades de Castilla-La Mancha, SBPLY/21/180501/000127 ; H2020 European Research Council, 642196 815128 ; |
Approved |
Most recent IF: NA |
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Call Number |
EMAT @ emat @c:irua:201011 |
Serial |
8975 |
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Author |
Mychinko, M. |
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Title |
Advanced Electron Tomography to Investigate the Growth and Stability of Complex Metal Nanoparticles = Geavanceerde Elektronentomografie om de Groei en Stabiliteit van Complexe Metallische Nanodeeltjes te Onderzoeken |
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Doctoral thesis |
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Year |
2024 |
Publication |
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Abbreviated Journal |
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Volume |
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Pages |
227 p. |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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During the past decades, metallic nanoparticles (NPs) have attracted great attention in materials science due to their specific optical properties based on surface plasmon resonances. Because of these phenomena, plasmonic NPs (or nanoplasmonics) are very promising for application in biosensing, photocatalysts, medicine, data storage, solar energy conversion, etc. Currently, colloidal synthesis techniques enable scientists to routinely produce mono and bimetallic NPs of various shapes, sizes, composition, and elemental distribution, with superior properties for plasmonic applications. Two primary directions for further advancing nanoplasmonic-based technologies include synthesizing novel morphologies, such as highly asymmetric chiral NPs, and gaining deeper insights into the factors affecting the stability of produced nanoplasmonics. With the increasing complexity of nanoplasmonics morphologies and higher stability requirements, there is a pressing need for thorough investigations into their 3D structures and their evolution under different conditions, with high resolution. Electron tomography (ET) emerges as an ideal tool to retrieve shape and element-sensitive information about individual nanoparticles in 3D, achieving resolutions down to the atomic level. Moreover, ET techniques can be combined with in situ holders, enabling detailed studies of processes mimicking real applications of nanoplasmonic-based devices. The first part of this thesis will focus on detailed studies of chiral Au NPs, promising for spectroscopy techniques based on the differential absorption of left- and right-handed circularly polarized light. Specifically, I will discuss the primary strategies for wet-colloidal growth of the various types of intrinsically chiral Au NPs. Advanced ET methods will be demonstrated as powerful tools for characterizing the final helical morphologies of the produced Au NPs and for studying the chiral growth mechanisms by examining intermediate structures obtained during chiral growth. The second part will focus on the heat-induced stability of various Au@Ag core-shell NPs. Operating in real conditions, such as elevated temperatures, may cause particle reshaping and redistribution of metals between the core and shell, gradually altering nanoplasmonics properties. Hence, a thorough understanding of the influence of size, shape, and defects on these processes is crucial for further developments. Recently developed techniques, combining fast ET with in-situ heating holders, have allowed me to evaluate the influence of various parameters (size, shape, defect structure) on heat-induced elemental redistribution in Au@Ag core-shell nanoparticles qualitatively and quantitatively. Additionally, I will discuss the prospects of high-resolution ET for visualizing the diffusion of individual atoms within complex nanostructures. |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:202976 |
Serial |
9001 |
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Author |
Nakazato, R.; Matsumoto, K.; Yamaguchi, N.; Cavallo, M.; Crocella, V.; Bonino, F.; Quintelier, M.; Hadermann, J.; Rosero-navarro, N.C.; Miura, A.; Tadanaga, K. |
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Title |
CO₂ electrochemical reduction with Zn-Al layered double hydroxide-loaded gas-diffusion electrode |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Electrochemistry |
Abbreviated Journal |
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Volume |
91 |
Issue |
9 |
Pages |
097003-97007 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Carbon dioxide electrochemical reduction (CO2ER) has attracted considerable attention as a technology to recycle CO2 into raw materials for chemicals using renewable energies. We recently found that Zn-Al layered double hydroxides (Zn-Al LDH) have the CO-forming CO2ER activity. However, the activity was only evaluated by using the liquid-phase CO2ER. In this study, Ni-Al and Ni-Fe LDHs as well as Zn-Al LDH were synthesized using a facile coprecipitation process and the gas-phase CO2ER with the LDH-loaded gas-diffusion electrode (GDE) was examined. The products were characterized by XRD, STEM-EDX, BF-TEM and ATR-IR spectroscopy. In the ATR-IR results, the interaction of CO2 with Zn-Al LDH showed a different carbonates evolution with respect to other LDHs, suggesting a different electrocatalytic activity. The LDH-loaded GDE was prepared by simple drop-casting of a catalyst ink onto carbon paper. For gas-phase CO2ER, only Zn-Al LDH exhibited the CO2ER activity for carbon monoxide (CO) formation. By using different potassium salt electrolytes affording neutral to strongly basic conditions, such as KCl, KHCO3 and KOH, the gas-phase CO2ER with Zn-Al LDH-loaded GDE showed 1.3 to 2.1 times higher partial current density for CO formation than the liquid-phase CO2ER. |
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001082818000001 |
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2023-09-08 |
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Most recent IF: NA |
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UA @ admin @ c:irua:200340 |
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9009 |
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Nakazato, R.; Matsumoto, K.; Yamaguchi, N.; Cavallo, M.; Crocella, V.; Bonino, F.; Quintelier, M.; Hadermann, J.; Rosero-Navarro, N.C.; Miura, A.; Tadanaga, K. |
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CO2 Electrochemical Reduction with Zn-Al Layered Double Hydroxide-Loaded Gas-Diffusion Electrode (Supporting Information) |
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2023 |
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Dataset; Electron microscopy for materials research (EMAT) |
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Carbon dioxide electrochemical reduction (CO2ER) has attracted considerable attention as a technology to recycle CO2 into raw materials for chemicals using renewable energies. We recently found that Zn-Al layered double hydroxides (Zn-Al LDH) have the CO-forming CO2ER activity. However, the activity was only evaluated by using the liquid-phase CO2ER. In this study, Ni-Al and Ni-Fe LDHs as well as Zn-Al LDH were synthesized using a facile coprecipitation process and the gas-phase CO2ER with the LDH-loaded gas-diffusion electrode (GDE) was examined. The products were characterized by XRD, STEM-EDX, BF-TEM and ATR-IR spectroscopy. In the ATR-IR results, the interaction of CO2 with Zn-Al LDH showed a different carbonates evolution with respect to other LDHs, suggesting a different electrocatalytic activity. The LDH-loaded GDE was prepared by simple drop-casting of a catalyst ink onto carbon paper. For gas-phase CO2ER, only Zn-Al LDH exhibited the CO2ER activity for carbon monoxide (CO) formation. By using different potassium salt electrolytes affording neutral to strongly basic conditions, such as KCl, KHCO3 and KOH, the gas-phase CO2ER with Zn-Al LDH-loaded GDE showed 1.3 to 2.1 times higher partial current density for CO formation than the liquid-phase CO2ER. |
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001079191200001 |
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Most recent IF: NA |
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UA @ admin @ c:irua:200933 |
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9010 |
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Jorissen, B.; Covaci, L.; Partoens, B. |
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Comparative analysis of tight-binding models for transition metal dichalcogenides |
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A1 Journal article |
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2024 |
Publication |
SciPost physics core |
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7 |
Issue |
1 |
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004-30 |
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A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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We provide a comprehensive analysis of the prominent tight-binding (TB) models for transition metal dichalcogenides (TMDs) available in the literature. We inspect the construction of these TB models, discuss their parameterization used and conduct a thorough comparison of their effectiveness in capturing important electronic properties. Based on these insights, we propose a novel TB model for TMDs designed for enhanced computational efficiency. Utilizing MoS2 as a representative case, we explain why specific models offer a more accurate description. Our primary aim is to assist researchers in choosing the most appropriate TB model for their calculations on TMDs. |
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001170769300001 |
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2024-02-06 |
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Not_Open_Access |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:202983 |
Serial |
9012 |
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Annys, A.; Jannis, D.; Verbeeck, J. |
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Core-loss EELS dataset and neural networks for element identification |
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2023 |
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Dataset; Electron microscopy for materials research (EMAT) |
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We present a large dataset containing simulated core-loss electron energy loss spectroscopy (EELS) spectra with the elemental content as ground-truth labels. Additionally we present some neural networks trained on this data for element identification. The simulated dataset contains zero padded core-loss spectra from 0 to 3072 eV, which represents 107 core-loss edges through all 80 elements from Be up to Bi. The core-loss edges are calculated from the generalised oscillator strength (GOS) database presented by Zhang et al.[1] Generic fine structures using lifetime broadened peaks are used to imitate fine structure due to solid-state effects in experimental spectra. Generic low-loss regions are used to imitate the effect of multiple scattering. Each spectrum contains at least one edge of a given query element and possibly additional edges depending on samples drawn from The Materials Project [2]. The dataset contains for each of the 80 elements: 7000 training spectra, 1500 test spectra, 600 validation spectra and 100 spectra representing only the query element. This results in a total 736 000 labeled spectra. Code on how to – read the simulated data – transform HDF5 format to TFRecord format – train and evaluate neural networks using the simulated data – use the trained networks for automated element identification is available on GitHub at arnoannys/EELS_ID A full report on the simulation of the dataset and the training and evaluation of the neural networks can be found at: Annys, A., Jannis, D. & Verbeeck, J. Deep learning for automated materials characterisation in core-loss electron energy loss spectroscopy. Sci Rep 13, 13724 (2023). https://doi.org/10.1038/s41598-023-40943-7 [1] Zezhong Zhang, Ivan Lobato, Daen Jannis, Johan Verbeeck, Sandra Van Aert, & Peter Nellist. (2023). Generalised oscillator strength for core-shell electron excitation by fast electrons based on Dirac solutions (1.0) [Data set]. Zenodo. https://doi.org/10.5281/zenodo.7729585 [2] Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier, Wei Chen, William Davidson Richards, Stephen Dacek, Shreyas Cholia, Dan Gunter, David Skinner, Gerbrand Ceder, Kristin A. Persson; Commentary: The Materials Project: A materials genome approach to accelerating materials innovation. APL Mater 1 July 2013; 1 (1): 011002. [https://doi.org/10.1063/1.4812323](https://doi.org/10.1063/1.4812323) |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:203391 |
Serial |
9015 |
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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. |
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Title |
Generalised oscillator strength for core-shell electron excitation by fast electrons based on Dirac solutions |
Type |
Dataset |
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Year |
2023 |
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Dataset; Electron microscopy for materials research (EMAT) |
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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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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:203392 |
Serial |
9042 |
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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. |
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Title |
Low-dose 4D-STEM tomography for beam-sensitive nanocomposites |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
ACS materials letters |
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Volume |
6 |
Issue |
1 |
Pages |
165-173 |
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A1 Journal article; Electron microscopy for materials research (EMAT) |
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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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001141178500001 |
Publication Date |
2023-12-11 |
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2639-4979 |
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UA library record; WoS full record |
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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 |
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Call Number |
UA @ admin @ c:irua:202771 |
Serial |
9053 |
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Johnson, G.; Yang, M.Y.; Liu, C.; Zhou, H.; Zuo, X.; Dickie, D.A.; Wang, S.; Gao, W.; Anaclet, B.; Perras, F.A.; Ma, F.; Zeng, C.; Wang, D.; Bals, S.; Dai, S.; Xu, Z.; Liu, G.; Goddard III, W.A.; Zhang, S. |
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Title |
Nanocluster superstructures assembled via surface ligand switching at high temperature |
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A1 Journal article |
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Year |
2023 |
Publication |
Nature synthesis |
Abbreviated Journal |
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Volume |
2 |
Issue |
9 |
Pages |
828-837 |
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A1 Journal article; Electron microscopy for materials research (EMAT) |
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Superstructures with nanoscale building blocks, when coupled with precise control of the constituent units, open opportunities in rationally designing and manufacturing desired functional materials. Yet, synthetic strategies for the large-scale production of superstructures are scarce. We report a scalable and generalized approach to synthesizing superstructures assembled from atomically precise Ce24O28(OH)8 and other rare-earth metal-oxide nanoclusters alongside a detailed description of the self-assembly mechanism. Combining operando small-angle X-ray scattering, ex situ molecular and structural characterizations, and molecular dynamics simulations indicates that a high-temperature ligand-switching mechanism, from oleate to benzoate, governs the formation of the nanocluster assembly. The chemical tuning of surface ligands controls superstructure disassembly and reassembly, and furthermore, enables the synthesis of multicomponent superstructures. This synthetic approach, and the accurate mechanistic understanding, are promising for the preparation of superstructures for use in electronics, plasmonics, magnetics and catalysis. Synthesizing superstructures with precisely controlled nanoscale building blocks is challenging. Here the assembly of superstructures is reported from atomically precise Ce24O28(OH)8 and other rare-earth metal-oxide nanoclusters and their multicomponent combinations. A high-temperature ligand-switching mechanism controls the self-assembly. |
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001124824000001 |
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2023-05-01 |
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UA library record; WoS full record; WoS citing articles |
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2 |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:202180 |
Serial |
9060 |
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Author |
Yu, C.-P. |
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Title |
Novel imaging methods of transmission electron microscopy based on electron beam scattering and modulation |
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Doctoral thesis |
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Year |
2023 |
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Pages |
x, 154 p. |
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Doctoral thesis; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Transmission electron microscopy (TEM) is a technique that uses an electron beam to analyze materials. This analysis is based on the interaction between the electron beam and the sample, such as photon emission and electron diffraction pattern, to name a few. Sample damage, however, also occurs when such interaction alters the structure of the sample. To ensure information from the undamaged material can be acquired, the electron expense to probe the material is thus limited. In this work, we propose efficient methods for acquiring and processing the information originating from the electron-sample interaction so that the study of the material and the conducting of the TEM experiment can be less hindered by the limited dose usage. In the first part of the work, the relationship between the scattering of the electron and the local physical property of the sample is studied. Based on this relationship, two reconstruction schemes are proposed capable of producing high-resolution images at low-dose conditions. Besides, the proposed reconstructions are not restricted to complete datasets but instead work on pieces of data, therefore allowing live feedback during data acquisition. Such feature of the methods allows the whole TEM experiment to be carried out under low dose conditions and thus further reduces possible beam damage on the studied material. In the second part of the work, we discuss our approach to modulating the electron beam and its benefits. An electrostatic device that can alter the wavefront of the passing electron wave is introduced and characterized. The beam-modulation ability is demonstrated by creating orthogonal beam sets, and applications that exploit the adaptability of the wave modulator are demonstrated with both simulation and experiments. |
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987-90-5728-534-7 |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:200885 |
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9064 |
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Author |
Poppe, R. |
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Title |
Refining short-range order parameters from diffuse electron scattering |
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Doctoral thesis |
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Year |
2023 |
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iv, 150 p. |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Electrons, X-rays and neutrons that pass through a thin crystalline sample will be diffracted. Diffraction patterns of crystalline materials contain Bragg reflections (sharp discrete intensity maxima) and diffuse scattering (a weak continuous background). The Bragg reflections contain information about the average crystal structure (the type of atoms and the average atomic positions), whereas the diffuse scattering contains information about the short-range order (deviations from the average crystal structure that are ordered on a local scale). Because the properties of many materials depend on the short-range order, refining short-range order parameters is essential for understanding and optimizing material properties. The refinement of short-range order parameters has previously been applied to the diffuse scattering in single-crystal X-ray and single-crystal neutron diffraction data but not yet to the diffuse scattering in single-crystal electron diffraction data. In this work, we will verify the possibility to refine short-range order parameters from the diffuse scattering in single-crystal electron diffraction data. Electron diffraction allows to acquire data on submicron-sized crystals, which are too small to be investigated with single-crystal X-ray and single-crystal neutron diffraction. In the first part of this work, we will refine short-range order parameters from the one-dimensional diffuse scattering in electron diffraction data acquired on the lithium-ion battery cathode material Li1.2Ni0.13Mn0.54Co0.13O2. The number of stacking faults and the twin percentages will be refined from the diffuse scattering using a Monte Carlo refinement. We will also describe a method to determine the spinel/layered phase ratio from the intensities of the Bragg reflections in electron diffraction data. In the second part of this work, we will refine short-range order parameters from the three-dimensional diffuse scattering in both single-crystal electron and single-crystal X-ray diffraction data acquired on Nb0.84CoSb. The correlations between neighbouring vacancies and the displacements of Sb and Co atoms will be refined from the diffuse scattering using a Monte Carlo refinement and a three-dimensional difference pair distribution function refinement. The effect of different experimental parameters on the spatial resolution of the observed diffuse scattering will also be investigated. Finally, the model of the short-range Nb-vacancy order in Nb0.84CoSb will also be applied to LiNi0.5Sn0.3Co0.2O2. |
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Most recent IF: NA |
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UA @ admin @ c:irua:200610 |
Serial |
9084 |
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Author |
Grünewald, L.; Chezganov, D.; De Meyer, R.; Orekhov, A.; Van Aert, S.; Bogaerts, A.; Bals, S.; Verbeeck, J. |
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Title |
Supplementary Information for “In-situ Plasma Studies using a Direct Current Microplasma in a Scanning Electron Microscope” |
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Dataset |
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Year |
2023 |
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Dataset; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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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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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:203389 |
Serial |
9100 |
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Esteban, D.A.; Chamocho, E.G.; Carretero González, J.; Urones Garrote, E.; Otero Díaz, L.C.; Brande, D.Á. |
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Title |
Enhancing Electrochemical Properties of Walnut Shell Activated Carbon with Embedded MnO Clusters for Supercapacitor Applications |
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A1 Journal article |
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Year |
2024 |
Publication |
Batteries & Supercaps |
Abbreviated Journal |
Batteries & Supercaps |
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A1 Journal article; Electron microscopy for materials research (EMAT) |
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Activated carbon (AC) materials from renewable sources are widely used in electrochemical applications due to their well‐known high surface area. However, their application as electrode material in double‐layer electrochemical devices may be limited due to their relatively low electrical conductivity and lightweight. To overcome these limitations, the incorporation of pseudocapacitance metal oxide nanoparticles is an optimum approach. These nanoparticles can provide a second energy storage mechanism to the composite, mitigating the loss of surface area associated with their incorporation. As a result, the composite material is endowed with increased conductivity and higher density, making it more suitable for practical implementation in real devices. In this study, we have incorporated a fine dispersion of 1 % of MnO clusters into a highly porous activated carbon synthesized from walnut shells (WAC). The high‐resolution electron microscopy studies, combined with their related analytical techniques, allow us to determine the presence of the cluster within the matrix carbon precisely. The resulting MnO@WAC composite demonstrated significantly improved capacitive behavior compared with the WAC material, with increased volumetric capacitance and higher charge retention at higher current densities. The composite‘s electrochemical performance suggests its potential as a promising electrode material for supercapacitors, addressing drawbacks associated with traditional AC materials. |
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001198179300001 |
Publication Date |
2024-04-08 |
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ISSN |
2566-6223 |
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Additional Links |
UA library record; WoS full record |
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Notes |
Grants PID2020-112848RB-C21 funded by MCIN/AEI/ 10.13039/501100011033 and by the European Union PRTR funding through projects are acknowledged. Access to the ICTS- CNME for TEM is also acknowledged. |
Approved |
Most recent IF: NA |
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Call Number |
EMAT @ emat @c:irua:205463 |
Serial |
9119 |
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Gao, Y.-J.; Jin, H.; Esteban, D.A.; Weng, B.; Saha, R.A.; Yang, M.-Q.; Bals, S.; Steele, J.A.; Huang, H.; Roeffaers, M.B.J. |
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3D-cavity-confined CsPbBr₃ quantum dots for visible-light-driven photocatalytic C(sp³)-H bond activation |
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A1 Journal article |
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2024 |
Publication |
Carbon Energy |
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e559 |
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A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Metal halide perovskite (MHP) quantum dots (QDs) offer immense potential for several areas of photonics research due to their easy and low-cost fabrication and excellent optoelectronic properties. However, practical applications of MHP QDs are limited by their poor stability and, in particular, their tendency to aggregate. Here, we develop a two-step double-solvent strategy to grow and confine CsPbBr3 QDs within the three-dimensional (3D) cavities of a mesoporous SBA-16 silica scaffold (CsPbBr3@SBA-16). Strong confinement and separation of the MHP QDs lead to a relatively uniform size distribution, narrow luminescence, and good ambient stability over 2 months. In addition, the CsPbBr3@SBA-16 presents a high activity and stability for visible-light-driven photocatalytic toluene C(sp(3))-H bond activation to produce benzaldehyde with similar to 730 mu mol g(-1) h(-1) yield rate and near-unity selectivity. Similarly, the structural stability of CsPbBr3@SBA-16 QDs is superior to that of both pure CsPbBr3 QDs and those confined in MCM-41 with 1D channels. |
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001223583600001 |
Publication Date |
2024-05-16 |
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2637-9368 |
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UA library record; WoS full record; WoS citing articles |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:206000 |
Serial |
9133 |
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Cioni, M.; Delle Piane, M.; Polino, D.; Rapetti, D.; Crippa, M.; Arslan Irmak, E.; Pavan, G.M.; Van Aert, S.; Bals, S. |
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Data for Sampling Real‐Time Atomic Dynamics in Metal Nanoparticles by Combining Experiments, Simulations, and Machine Learning |
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2024 |
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Dataset; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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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. |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:205843 |
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9143 |
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Author |
Wu, X.; Ding, J.; Cui, W.; Lin, W.; Xue, Z.; Yang, Z.; Liu, J.; Nie, X.; Zhu, W.; Van Tendeloo, G.; Sang, X. |
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Title |
Enhanced electrical properties of Bi2-xSbxTe3 nanoflake thin films through interface engineering |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Energy & environment materials |
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e12755-8 |
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A1 Journal article; Electron microscopy for materials research (EMAT) |
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The structure-property relationship at interfaces is difficult to probe for thermoelectric materials with a complex interfacial microstructure. Designing thermoelectric materials with a simple, structurally-uniform interface provides a facile way to understand how these interfaces influence the transport properties. Here, we synthesized Bi2-xSbxTe3 (x = 0, 0.1, 0.2, 0.4) nanoflakes using a hydrothermal method, and prepared Bi2-xSbxTe3 thin films with predominantly (0001) interfaces by stacking the nanoflakes through spin coating. The influence of the annealing temperature and Sb content on the (0001) interface structure was systematically investigated at atomic scale using aberration-corrected scanning transmission electron microscopy. Annealing and Sb doping facilitate atom diffusion and migration between adjacent nanoflakes along the (0001) interface. As such it enhances interfacial connectivity and improves the electrical transport properties. Interfac reactions create new interfaces that increase the scattering and the Seebeck coefficient. Due to the simultaneous optimization of electrical conductivity and Seebeck coefficient, the maximum power factor of the Bi1.8Sb0.2Te3 nanoflake films reaches 1.72 mW m(-1) K-2, which is 43% higher than that of a pure Bi2Te3 thin film. |
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https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001204 |
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2024-04-18 |
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UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
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UA @ admin @ c:irua:205438 |
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9148 |
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Author |
Vlasov, E. |
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Title |
Exploiting secondary electrons in transmission electron microscopy for 3D characterization of nanoparticle morphologies |
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Doctoral thesis |
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2024 |
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x, 118 p. |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Electron tomography (ET) is an indispensable tool for determining the three-dimensional (3D) structure of nanomaterials in (scanning) transmission electron microscopy ((S)TEM). ET enables 3D characterization of a variety of nanomaterials across different fields, including life sciences, chemistry, solid-state physics, and materials science down to atomic resolution. However, the acquisition of a conventional tilt series for ET is a time-consuming process and thus cannot capture fast transformations of materials in realistic conditions. Moreover, only a limited number of nanoparticles (NPs) can be investigated, hampering a general understanding of the average properties of the material. Therefore, alternative characterization techniques that allow for high-resolution characterization of the surface structure without the need to acquire a full tilt series in ET are required which would enable a more time-efficient investigation with better statistical value. In the first part of this work, an alternative technique for the characterization of the morphology of NPs to improve the throughput and temporal resolution of ET is presented. The proposed technique exploits surface-sensitive secondary electron (SE) imaging in STEM employed using a modification of electron beam-induced current (EBIC) setup. The time- and dose efficiency of SEEBIC are tested in comparison with ET and superior spatial resolution is shown compared to conventional scanning electron microscopy. Finally, contrast artefacts arising in SEEBIC images are described, and their origin is discussed. The second part of my thesis focuses on real applications of the proposed technique and introduces a high-throughput methodology that combines images acquired by SEEBIC with quantitative image analysis to retrieve information about the helicity of gold nanorods. It shows that SEEBIC imaging overcomes the limitation of ET providing a general understanding of the connection between structure and chiroptical properties. |
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2024-06-17 |
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UA @ admin @ c:irua:204905 |
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9149 |
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Author |
Lu, Q. |
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Title |
Precipitation behavior and heat resistance properties of Al-Cu-Mg-Ag-(Si) alloy |
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Doctoral thesis |
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2024 |
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VIII, 212 p. |
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Doctoral thesis; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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With the rapid increase in the speed of new-generation aerospace vehicles, conventional heat-resistant aluminum alloys cannot meet the long-term service of the equipment. Therefore, the development of new high-strength heat-resistant aluminum alloys is of great strategic for the sustainable and high-quality development of industries. Al-Cu-Mg-Ag alloy is an age-hardenable heat-resistant aluminum alloy and has high strength and heat resistance. The addition of alloying elements such as Si and Sc to Al-Cu-Mg-Ag alloy introduces a competitive relationship among the σ-Al5Cu6Mg2, θ′-Al2Cu, and Ω phases. Therefore, a systematic investigation of precipitation behavior and heat resistance of Al-Cu-Mg-Ag-(Si) is essential for guiding the design of high-strength heat-resistant aluminum alloys. Combined characterization testing methods such as scanning electron microscopy, transmission electron microscopy, atom probe tomography, microhardness testing, and tensile testing with simulation calculation methods such as calculation of phase diagram, first-principles calculations, and Ab initio molecular dynamics, the effects of heat treatment processes and element content on the precipitation behavior, mechanical properties, and heat resistance of Al-Cu-Mg-Ag-(Si) alloys were systematically investigated. Furthermore, a multiple interface segregation structure was constructed at the θ′/Al interface, and a new Al-Cu-Mg-Ag-Si-Sc alloy with synergistically improved strength and heat resistance was developed. The main conclusions are as follows: (1) Based on the Kampmann-Wagner-Numerical theory, the relationship between the coarsening rate of the Ω phase and the aging process was analyzed, revealing for the first time that the critical size of Ω phase ( ) under thermal exposure temperature was the key factor determining the coarsening rate of Ω phase during long time thermal exposure heat treatment. After artificial ageing, when the size of Ω phase was smaller than the critical size , the dissolution of smaller Ω phase leaded to a rapid decrease in the number density of Ω phases, thereby reducing the heat resistance of the alloy. When the size of Ω phase was greater than or equal to the critical size , the coarsening rate of Ω phase was consistent, but a larger initial size would result in a larger final size after long-term thermal exposure. Therefore, the closer the size of Ω phase in the alloy is to the critical size under heat exposure temperature, the better the heat resistance of the alloy. (2) A concept of constructing a multiple interface segregation structure at the precipitate/matrix interface was proposed, and based on this concept, a multiple interface segregation structure containing the C/L-AlMgSiCu interfacial phase, newly discovered χ-AgMg interfacial phase, and Sc segregation layer was successfully constructed at the θ′/Al interface. The existence of the multiple interface segregation structure ensured that the designed Al-Cu-Mg-Ag-Si-Sc alloy maintains a yield strength of 400 MPa after thermal exposure at 200 C for 100 h, with a strength retention rate of 97%, creating a new record for the synergistic improvement of strength and heat resistance in aluminum alloys. In addition, combining transmission electron microscopy ex-situ/in-situ characterization with first-principles calculations, it is shown that the χ-AgMg interface phase will be destroyed due to the diffusion of the outer Ag layer during thermal exposure, and gradually dissolve into the matrix, but it can still delay the coarsening behavior of θ′-Al2Cu phase. (3) The criteria for determining whether Ω phase can precipitate are updated in Al-Cu-Mg-Ag-Si alloys with low Mg/Si ratio based on phase diagram thermodynamic calculations and multi-scale structural characterization. When W(Mg)/W(Si) > 1.4 and X(Ag)/X(Mgexcess) > 1, Ω phase can precipitate in Al-Cu-Mg-Ag-Si alloys, where X(Mgexcess) represents the atomic percentage of residual Mg elements after the formation of the AlMgSiCu quaternary precipitate phase C/L phase in the supersaturated solid solution, and the W(Mg) is the mass fraction of Mg in the supersaturated solid solution before artificial ageing. (4) The effects of alloy element content on precipitation behavior and heat resistance of Al-Cu-Mg-Ag-Si alloys were systematically analyzed. Critical conditions for the precipitation of σ-Al5Cu6Mg2 and Ω phase in Al-Cu-Mg-Ag-Si alloys are revealed. Based on calculation of phase diagram results, the conditions for precipitating σ-Al5Cu6Mg2 phase in the alloy are: ① W(Mg)/W(Si) > 1.8; ② W(Cu) > 2.7W(Mg) – 5W(Si). When W(Mg)/W(Si) < 1.8, the alloy is mainly precipitated with C/L/Q′-AlMgSiCu. When W(Cu) < 2.7W(Mg) – 5W(Si), the alloy will generate GPB zone. In addition, W(Ag)/W(Si) > 4 is the critical condition which the Ω phase can the main precipitates in Al-Cu-Mg-Ag-Si alloys. Furthermore, the correlation between precipitate types and heat resistance was summarized, showing that Al-Cu-Mg-Ag-(Si) alloys with Ω phase as the main strengthening phase are more suitable for the preparation of structures with short service time but high temperature, while Al-Cu-Mg-Ag-(Si) alloys with low Mg content and multiple segregation structures are more suitable for structures requiring long-term service at medium to high temperatures. This study, for the first time, combines calculation of phase diagram with multi-scale microstructure characterization, systematically unraveling the effects of element content on precipitation behavior, strength, and heat resistance of Al-Cu-Mg-Ag-(Si) alloys. In addition, a concept of constructing a multiple interface segregation structure at the precipitate/matrix interface was proposed to synergistically improve alloy strength and heat resistance. This work provides theoretical guidance for optimizing the composition and processing of Al-Cu-Mg-Ag-(Si) alloy and regulating the microstructure. Furthermore, it also offers new ideas and theoretical guidance for the development of novel high-strength heat-resistant alloys in other systems. |
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UA @ admin @ c:irua:206180 |
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9167 |
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Brognara, A.; Kashiwar, A.; Jung, C.; Zhang, X.; Ahmadian, A.; Gauquelin, N.; Verbeeck, J.; Djemia, P.; Faurie, D.; Dehm, G.; Idrissi, H.; Best, J.P.; Ghidelli, M. |
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Title |
Tailoring mechanical properties and shear band propagation in ZrCu metallic glass nanolaminates through chemical heterogeneities and interface density |
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A1 Journal article |
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Year |
2024 |
Publication |
Small Structures |
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2400011-11 |
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A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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The design of high‐performance structural thin films consistently seeks to achieve a delicate equilibrium by balancing outstanding mechanical properties like yield strength, ductility, and substrate adhesion, which are often mutually exclusive. Metallic glasses (MGs) with their amorphous structure have superior strength, but usually poor ductility with catastrophic failure induced by shear bands (SBs) formation. Herein, we introduce an innovative approach by synthesizing MGs characterized by large and tunable mechanical properties, pioneering a nanoengineering design based on the control of nanoscale chemical/structural heterogeneities. This is realized through a simplified model Zr 24 Cu 76 /Zr 61 Cu 39 , fully amorphous nanocomposite with controlled nanoscale periodicity ( Λ , from 400 down to 5 nm), local chemistry, and glass–glass interfaces, while focusing in‐depth on the SB nucleation/propagation processes. The nanolaminates enable a fine control of the mechanical properties, and an onset of crack formation/percolation (>1.9 and 3.3%, respectively) far above the monolithic counterparts. Moreover, we show that SB propagation induces large chemical intermixing, enabling a brittle‐to‐ductile transition when Λ ≤ 50 nm, reaching remarkably large plastic deformation of 16% in compression and yield strength ≈2 GPa. Overall, the nanoengineered control of local heterogeneities leads to ultimate and tunable mechanical properties opening up a new approach for strong and ductile materials. |
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001226546100001 |
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2024-05-20 |
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2688-4062 |
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UA @ admin @ c:irua:205798 |
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9176 |
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Author |
Schryvers, N. |
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De hoogspanningselektronenmicroscoop JEM 1250 |
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H3 Book chapter |
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2024 |
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54-55
T2 - Verhalenvertellers : academisch erfgoed |
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H3 Book chapter; Documentation and information; Engineering sciences. Technology; History; Electron microscopy for materials research (EMAT) |
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UA @ admin @ c:irua:208055 |
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9282 |
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Gao, C. |
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Title |
Exploring electron ptychography for low dose imaging |
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Doctoral thesis |
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2024 |
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xii, 146 p. |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Transmission electron microscopy is an important technique in the exploration of materials’ structures. This is especially true since the development of electron optical aberration correctors greatly facilitated atomic resolution imaging. We are currently experiencing an ongoing revolution in electron microscopy with the widespread adoption of direct electron detectors. Scientists have reported a lot of key scientific findings facilitated by direct electron detectors. One particular research domain is electron ptychography, which holds promise for unraveling the intricate structures of highly beam-sensitive materials like bio samples and achieving super-resolution without the limitation of aperture in the condenser lens system. Nevertheless, challenges persist both in experimental setups and algorithmic processes. Issues such as the comparatively sluggish scanning speed of cameras and contrast reversals of the reconstructed phase for relatively thick specimens, disrupting phase or weak phase approximations, remain noteworthy limitations. This thesis addresses these challenges by the event-driven Timepix3 detector, presenting a viable solution to the speed bottleneck. Moreover, innovative approaches for applying electron ptychography to relatively thick samples, employing a middle focusing strategy, are proposed. This research aims to push the boundaries of electron microscopy, offering solutions to existing limitations and advancing the field towards more efficient and accurate imaging techniques. |
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2024-07-18 |
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UA @ admin @ c:irua:206777 |
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9289 |
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Zhang, Y.; Grünewald, L.; Cao, X.; Abdelbarey, D.; Zheng, X.; Rugeramigabo, E.P.; Zopf, M.; Verbeeck, J.; Ding, F. |
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Supplementary Information and Data for “Unveiling the 3D Morphology of Epitaxial GaAs/AlGaAs Quantum Dots” |
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2024 |
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Dataset; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Raw and processed TEM and AFM data for the article Unveiling the 3D Morphology of Epitaxial GaAs/AlGaAs Quantum Dots. |
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UA @ admin @ c:irua:208086 |
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9319 |
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Ninakanti, R. |
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Synthesis and electron microscopy characterization of novel core-shell and self-assembled nanostructures for plasmon-enhanced photocatalysis |
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Doctoral thesis |
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2024 |
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163 p. |
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Doctoral thesis; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS) |
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The global challenge posed by increasing levels of greenhouse gases and the associated detrimental impacts of global warming necessitate a strategic shift from traditional fossil fuel-based energy systems to more sustainable, renewable, and circular energy and material solutions. Consequently, the potential of photoactive nanoparticles, particularly those that harness light-driven processes, has captured extensive scientific interest as a viable approach to mitigating energy and environmental challenges on a global scale. Although, the adoption of solar light based solutions in the chemical industry has been very less due to sluggish reaction rates and its cascading effects on its economics. The primary focus of this dissertation is the study of plasmonic metal nanoparticles and metal oxide nanoparticles, emphasizing their applications in light-driven energy conversion. The distinctive properties of plasmonic materials, especially surface plasmon resonance (SPR), are pivotal in these applications. SPR involves the oscillation of electron clouds at the surface of nanoparticles when resonating with incident electromagnetic radiation, significantly enhancing solar radiation absorption. This feature is crucial for addressing the limitations of semiconductor photocatalysts like TiO2, which typically exhibit restricted absorption of solar irradiation. The objective of this dissertation is to further optimize the plasmonic enhancement mechanisms by strategically tuning the interactions between plasmonic nanoparticles and TiO2. This is achieved through the development of core-shell nanostructures and the self-assembly of supraparticles, designed to enhance plasmonic photocatalytic systems. The dissertation begins by elucidating the basic concepts and ideations behind the construction of these nanostructures and their roles in enhancing plasmonic photocatalysis, focusing on mechanisms such as near-electric field enhancement, electron transfer, and enhanced photon absorption. To achieve these objectives, modified synthesis techniques were developed to fabricate novel Au@TiO2 core-shell structures with precisely controlled TiO2 shell thickness and self-assembled Au-TiO2 supraparticles with variable sizes. The thesis further delves into the structural characterization of these synthesized nanoparticles, introducing both basic and advanced electron microscopy techniques. For the specific applications of these structures, it was found that Au@TiO2 core-shell nanoparticles with an optimal 4nm TiO2 shell thickness show significant enhancement in the hydrogen evolution reaction. Additionally, the largest Au-TiO2 supraparticles demonstrate superior efficacy in hydrogen peroxide generation. This work not only deepens the scientific understanding of plasmonic materials but also contributes to the development of renewable energy materials. |
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2024-07-04 |
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UA @ admin @ c:irua:206768 |
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9320 |
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Ding, Y.; Wang, C.; Bandaru, S.; Pei, L.; Zheng, R.; Hau Ng, Y.; Arenas Esteban, D.; Bals, S.; Zhong, J.; Hofkens, J.; Van Tendeloo, G.; Roeffaers, M.B.J.; Chen, L.-H.; Su, B.-L. |
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Cs3Bi2Br9 nanoparticles decorated C3N4 nanotubes composite photocatalyst for highly selective oxidation of benzylic alcohol |
Type |
A1 Journal Article |
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2024 |
Publication |
Journal of Colloid and Interface Science |
Abbreviated Journal |
Journal of Colloid and Interface Science |
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672 |
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600-609 |
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A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
Solar-light driven oxidation of benzylic alcohols over photocatalysts endows significant prospects in value-added organics evolution owing to its facile, inexpensive and sustainable process. However, the unsatisfactory performance of actual photocatalysts due to the inefficient charge separation, low photoredox potential and sluggish surface reaction impedes the practical application of this process. Herein, we developed an innovative Z-Scheme Cs3BiBr9 nanoparticles@porous C3N4 tubes (CBB-NP@P-tube-CN) heterojunction photocatalyst for highly selective benzyl alcohol oxidation. Such composite combining increased photo-oxidation potential, Z-Scheme charge migration route as well as the structural advantages of porous tubular C3N4 ensures the accelerated mass and ions diffusion kinetics, the fast photoinduced carriers dissociation and sufficient photoredox potentials. The CBB-NP@P-tube-CN photocatalyst demonstrates an exceptional performance for selective photo-oxidation of benzylic alcohol into benzaldehyde with 19, 14 and 3 times higher benzylic alcohols conversion rate than those of C3N4 nanotubes, Cs3Bi2Br9 and Cs3Bi2Br9@bulk C3N4 photocatalysts, respectively. This work offers a sustainable photocatalytic system based on lead-free halide perovskite toward large scale solar-light driven value-added chemicals production. |
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Wos |
001251644100001 |
Publication Date |
2024-06-05 |
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0021-9797 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.9 |
Times cited |
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Open Access |
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Notes |
This work is financially supported by the Zhejiang Provincial Natural Science Foundation of China (No. LQ24E020011), and National Natural Science Foundation of China (No. 12374372, 52072101)., Program for Changjiang Scholars and Innovative Research Team in University (IRT_15R52) of the Chinese Ministry of Education and Program of Introducing Talents of Discipline to Universities-Plan 111 (Grant No. B20002) from the Ministry of Science and Technology and the Ministry of Education of China. This research is also supported by the European Commission Interreg V France-Wallonie-Vlaanderen project “DepollutAir”. |
Approved |
Most recent IF: 9.9; 2024 IF: 4.233 |
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Call Number |
EMAT @ emat @c:irua:206675 |
Serial |
9250 |
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Author |
Yuan, M.-M.; Wang, L.-D.; Zhang, J.; Ran, M.-J.; Wang, K.; Hu, Z.-Y.; Van Tendeloo, G.; Li, Y.; Su, B.-L. |
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Title |
Cut-off voltage influencing the voltage decay of single crystal lithium-rich manganese-based cathode materials in lithium-ion batteries |
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A1 Journal article |
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Year |
2024 |
Publication |
Journal of colloid and interface science |
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Volume |
674 |
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238-248 |
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A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The voltage decay of Li -rich layered oxide cathode materials results in the deterioration of cycling performance and continuous energy loss, which seriously hinders their application in the high-energy – density lithium -ion battery (LIB) market. However, the origin of the voltage decay mechanism remains controversial due to the complex influences of transition metal (TM) migration, oxygen release, indistinguishable surface/bulk reactions and the easy intra/inter-crystalline cracking during cycling. We investigated the direct cause of voltage decay in micrometer -scale single -crystal Li 1.2 Mn 0.54 Ni 0.13 Co 0.13 O 2 (SC-LNCM) cathode materials by regulating the cut-off voltage. The redox of TM and O 2- ions can be precisely controlled by setting different voltage windows, while the cracking can be restrained, and surface/bulk structural evaluation can be monitored because of the large single crystal size. The results show that the voltage decay of SC-LNCM is related to the combined effect of cation rearrangement and oxygen release. Maintaining the discharge cutoff voltage at 3 V or the charging cutoff voltage at 4.5 V effectively mitigates the voltage decay, which provides a solution for suppressing the voltage decay of Lirich and Mn-based layered oxide cathode materials. Our work provides significant insights into the origin of the voltage decay mechanism and an easily achievable strategy to restrain the voltage decay for Li -rich and Mn-based cathode materials. |
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https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001261 |
Publication Date |
2024-06-24 |
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ISSN |
0021-9797; 1095-7103 |
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Additional Links |
UA library record; WoS full record; WoS full record |
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Impact Factor |
9.9 |
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Approved |
Most recent IF: 9.9; 2024 IF: 4.233 |
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Call Number |
UA @ admin @ c:irua:207026 |
Serial |
9281 |
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Author |
Windels, S.; Diefenhardt, T.; Jain, N.; Marquez, C.; Bals, S.; Schlummer, M.; De Vos, D.E. |
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Catalytic upcycling of PVC waste-derived phthalate esters into safe, hydrogenated plasticizers |
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A1 Journal article |
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Year |
2022 |
Publication |
Green chemistry : cutting-edge research for a greener sustainable future |
Abbreviated Journal |
Green Chem |
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24 |
Issue |
2 |
Pages |
754-766 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Recycling of end-of-life polyvinyl chloride (PVC) calls for solutions to deal with the vast amounts of harmful phthalate plasticizers that have historically been incorporated in PVC. Here, we report on the upcycling of such waste-extracted phthalate esters into analogues of the much safer diisononyl 1,2-cyclohexanedicarboxylate plasticizer (DINCH), via a catalytic one-pot (trans)esterification-hydrogenation process. For most of the virgin phthalates, Ru/Al2O3 is a highly effective hydrogenation catalyst, yielding >99% ring-hydrogenated products under mild reaction conditions (0.1 mol% Ru, 80 degrees C, 50 bar H-2). However, applying this reaction to PVC-extracted phthalates proved problematic, (1) as benzyl phthalates are hydrogenolyzed to benzoic acids that inhibit the Ru-catalyst, and (2) because impurities in the plasticizer extract (PVC, sulfur) further retard the hydrogenation. These complications were solved by coupling the hydrogenation to an in situ (trans)esterification with a higher alcohol, and by pretreating the extract with an activated carbon adsorbent. In this way, a real phthalate extract obtained from post-consumer PVC waste was eventually completely (>99%) hydrogenated to phthalate-free, cycloaliphatic plasticizers. |
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000726865200001 |
Publication Date |
2021-11-30 |
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ISSN |
1463-9262; 1463-9270 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.8 |
Times cited |
8 |
Open Access |
Not_Open_Access |
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Notes |
This project has received funding from the European Union’s Horizon 2020 Research and Innovation Programme under grant agreement no. 821366 (programma acronym: Circular Flooring). D. E. D. V. thanks FWO for project funding (SBO project S001819N Triple Cycle); N. J. and S. B. acknowledge the financial support from FWO and FNRS (EOS 30489208). Finally, the authors also thank S. Smolders for assistance with the TGA-MS experiments and D. Paredaens for his experimental contribution |
Approved |
Most recent IF: 9.8 |
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Call Number |
UA @ admin @ c:irua:184746 |
Serial |
6958 |
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