toggle visibility
Search within Results:
Display Options:

Select All    Deselect All
 |   | 
Details
   print
  Records Links
Author Dingenen, F.; Blommaerts, N.; Van Hal, M.; Borah, R.; Arenas-Esteban, D.; Lenaerts, S.; Bals, S.; Verbruggen, S.W. url  doi
openurl 
  Title Layer-by-Layer-Stabilized Plasmonic Gold-Silver Nanoparticles on TiO2: Towards Stable Solar Active Photocatalysts Type A1 Journal article
  Year 2021 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel  
  Volume 11 Issue 10 Pages 2624  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract To broaden the activity window of TiO2, a broadband plasmonic photocatalyst has been designed and optimized. This plasmonic ‘rainbow’ photocatalyst consists of TiO2 modified with gold–silver composite nanoparticles of various sizes and compositions, thus inducing a broadband interaction with polychromatic solar light. However, these nanoparticles are inherently unstable, especially due to the use of silver. Hence, in this study the application of the layer-by-layer technique is introduced to create a protective polymer shell around the metal cores with a very high degree of control. Various TiO2 species (pure anatase, PC500, and P25) were loaded with different plasmonic metal loadings (0–2 wt %) in order to identify the most solar active composite materials. The prepared plasmonic photocatalysts were tested towards stearic acid degradation under simulated sunlight. From all materials tested, P25 + 2 wt % of plasmonic ‘rainbow’ nanoparticles proved to be the most promising (56% more efficient compared to pristine P25) and was also identified as the most cost-effective. Further, 2 wt % of layer-by-layer-stabilized ‘rainbow’ nanoparticles were loaded on P25. These layer-by-layer-stabilized metals showed superior stability under a heated oxidative atmosphere, as well as in a salt solution. Finally, the activity of the composite was almost completely retained after 1 month of aging, while the nonstabilized equivalent lost 34% of its initial activity. This work shows for the first time the synergetic application of a plasmonic ‘rainbow’ concept and the layer-by-layer stabilization technique, resulting in a promising solar active, and long-term stable photocatalyst.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000712759800001 Publication Date 2021-10-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2079-4991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.553 Times cited 7 Open Access OpenAccess  
  Notes Research was funded by Research Foundation—Flanders (FWO), FN 700300001— Aspirant F. Dingenen. Approved Most recent IF: 3.553  
  Call Number (up) EMAT @ emat @c:irua:183281 Serial 6812  
Permanent link to this record
 

 
Author Velazco, A.; Béché, A.; Jannis, D.; Verbeeck, J. url  doi
openurl 
  Title Reducing electron beam damage through alternative STEM scanning strategies, Part I: Experimental findings Type A1 Journal article
  Year 2022 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 232 Issue Pages 113398  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The highly energetic electrons in a transmission electron microscope (TEM) can alter or even completely destroy the structure of samples before sufficient information can be obtained. This is especially problematic in the case of zeolites, organic and biological materials. As this effect depends on both the electron beam and the sample and can involve multiple damage pathways, its study remained difficult and is plagued with irreproducibility issues, circumstantial evidence, rumors, and a general lack of solid data. Here we take on the experimental challenge to investigate the role of the STEM scan pattern on the damage behavior of a commercially available zeolite sample with the clear aim to make our observations as reproducible as possible. We make use of a freely programmable scan engine that gives full control over the tempospatial distribution of the electron probe on the sample and we use its flexibility to obtain multiple repeated experiments under identical conditions comparing the difference in beam damage between a conventional raster scan pattern and a newly proposed interleaved scan pattern that provides exactly the same dose and dose rate and visits exactly the same scan points. We observe a significant difference in beam damage for both patterns with up to 11 % reduction in damage (measured from mass loss). These observations demonstrate without doubt that electron dose, dose rate and acceleration voltage are not the only parameters affecting beam damage in (S)TEM experiments and invite the community to rethink beam damage as an unavoidable consequence of applied electron dose.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000714819200002 Publication Date 2021-10-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.2 Times cited 18 Open Access OpenAccess  
  Notes A.V., D.J., A.B. and J.V. acknowledge funding from FWO project G093417N (’Compressed sensing enabling low dose imaging in transmission electron microscopy’) and G042920N (’Coincident event detection for advanced spectroscopy in transmission electron microscopy’). This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 823717 ESTEEM3. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. J.V. acknowledges funding from GOA project “Solarpaint” of the University of Antwerp.; JRA; reported Approved Most recent IF: 2.2  
  Call Number (up) EMAT @ emat @c:irua:183282 Serial 6818  
Permanent link to this record
 

 
Author Hudry, D.; De Backer, A.; Popescu, R.; Busko, D.; Howard, I.A.; Bals, S.; Zhang, Y.; Pedrazo‐Tardajos, A.; Van Aert, S.; Gerthsen, D.; Altantzis, T.; Richards, B.S. pdf  url
doi  openurl
  Title Interface Pattern Engineering in Core‐Shell Upconverting Nanocrystals: Shedding Light on Critical Parameters and Consequences for the Photoluminescence Properties Type A1 Journal article
  Year 2021 Publication Small Abbreviated Journal Small  
  Volume Issue Pages 2104441  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)  
  Abstract Advances in controlling energy migration pathways in core-shell lanthanide (Ln)-based hetero-nanocrystals (HNCs) have relied heavily on assumptions about how optically active centers are distributed within individual HNCs. In this article, it is demonstrated that different types of interface patterns can be formed depending on shell growth conditions. Such interface patterns are not only identified but also characterized with spatial resolution ranging from the nanometer- to the atomic-scale. In the most favorable cases, atomic-scale resolved maps of individual particles are obtained. It is also demonstrated that, for the same type of core-shell architecture, the interface pattern can be engineered with thicknesses of just 1 nm up to several tens of nanometers. Total alloying between the core and shell domains is also possible when using ultra-small particles as seeds. Finally, with different types of interface patterns (same architecture and chemical composition of the core and shell domains) it is possible to modify the output color (yellow, red, and green-yellow) or change (improvement or degradation) the absolute upconversion quantum yield. The results presented in this article introduce an important paradigm shift and pave the way toward the emergence of a new generation of core-shell Ln-based HNCs with better control over their atomic-scale organization.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000710758000001 Publication Date 2021-10-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1613-6810 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.643 Times cited 17 Open Access OpenAccess  
  Notes The authors would like to acknowledge the financial support provided by the Helmholtz Recruitment Initiative Fellowship (B.S.R.) and the Helmholtz Association's Research Field Energy (Materials and Technologies for the Energy Transition program, Topic 1 Photovoltaics and Wind Energy). The authors would like to thank the Karlsruhe Nano Micro Facility (KNMF) for STEM access. This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 Research and Innovation Programme (Grant agreement no. 770887 PICOMETRICS to S.V.A. and Grant agreement no. 815128 REALNANO to S.B.). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through Projects no. G.0502.18N, G.0267.18N, and a postdoctoral grant to A.D.B. T.A. acknowledges funding from the University of Antwerp Research fund (BOF). This project had received funding (EUSMI proposal #E181100205) from the European Union's Horizon 2020 Research and Innovation Programme under Grant agreement no 731019 (EUSMI). D.H. would like to thank “CGFigures” for helpful tutorials on 3D graphics with Blender.; sygmaSB Approved Most recent IF: 8.643  
  Call Number (up) EMAT @ emat @c:irua:183285 Serial 6817  
Permanent link to this record
 

 
Author Arslan Irmak, E.; Liu, P.; Bals, S.; Van Aert, S. pdf  url
doi  openurl
  Title 3D Atomic Structure of Supported Metallic Nanoparticles Estimated from 2D ADF STEM Images: A Combination of Atom – Counting and a Local Minima Search Algorithm Type A1 Journal article
  Year 2021 Publication Small methods Abbreviated Journal Small Methods  
  Volume Issue Pages 2101150  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Determining the three-dimensional (3D) atomic structure of nanoparticles (NPs) is critical to understand their structure-dependent properties. It is hereby important to perform such analyses under conditions relevant for the envisioned application. Here, we investigate the 3D structure of supported Au NPs at high temperature, which is of importance to understand their behavior during catalytic reactions. To overcome limitations related to conventional high-resolution electron tomography at high temperature, 3D characterization of NPs with atomic resolution has been performed by applying atom-counting using atomic resolution annular darkfield scanning transmission electron microscopy (ADF STEM) images followed by structural relaxation. However, at high temperatures, thermal displacements, which affect the ADF STEM intensities, should be taken into account. Moreover, it is very likely that the structure of a NP investigated at elevated temperature deviates from a ground state configuration, which is difficult to determine using purely computational energy minimization approaches. In this paper, we therefore propose an optimized approach using an iterative local minima search algorithm followed by molecular dynamics (MD) structural relaxation of candidate structures associated with each local minimum. In this manner, it becomes possible to investigate the 3D atomic structure of supported NPs, which may deviate from their ground state configuration.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000716511600001 Publication Date 2021-11-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2366-9608 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 12 Open Access OpenAccess  
  Notes This work was supported by the European Research Council (Grant 815128 REALNANO to SB, Grant 770887 PICOMETRICS to SVA, Grant 823717 ESTEEM3). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project funding (G.0267.18N, G.0502.18N, G.0346.21N).; sygmaSB; esteem3jra; esteem3reported Approved Most recent IF: NA  
  Call Number (up) EMAT @ emat @c:irua:183289 Serial 6820  
Permanent link to this record
 

 
Author Jannis, D.; Müller-Caspary, K.; Béché, A.; Verbeeck, J. pdf  url
doi  openurl
  Title Coincidence Detection of EELS and EDX Spectral Events in the Electron Microscope Type A1 Journal article
  Year 2021 Publication Applied Sciences-Basel Abbreviated Journal Appl Sci-Basel  
  Volume 11 Issue 19 Pages 9058  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Recent advances in the development of electron and X-ray detectors have opened up the possibility to detect single events from which its time of arrival can be determined with nanosecond resolution. This allows observing time correlations between electrons and X-rays in the transmission electron microscope. In this work, a novel setup is described which measures individual events using a silicon drift detector and digital pulse processor for the X-rays and a Timepix3 detector for the electrons. This setup enables recording time correlation between both event streams while at the same time preserving the complete conventional electron energy loss (EELS) and energy dispersive X-ray (EDX) signal. We show that the added coincidence information improves the sensitivity for detecting trace elements in a matrix as compared to conventional EELS and EDX. Furthermore, the method allows the determination of the collection efficiencies without the use of a reference sample and can subtract the background signal for EELS and EDX without any prior knowledge of the background shape and without pre-edge fitting region. We discuss limitations in time resolution arising due to specificities of the silicon drift detector and discuss ways to further improve this aspect.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000710160300001 Publication Date 2021-09-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2076-3417 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.679 Times cited 9 Open Access OpenAccess  
  Notes Fonds Wetenschappelijk Onderzoek, G042920 ; Horizon 2020 Framework Programme, 101017720 ; Helmholtz-Fonds, VH-NG-1317 ; Approved Most recent IF: 1.679  
  Call Number (up) EMAT @ emat @c:irua:183336 Serial 6821  
Permanent link to this record
 

 
Author Jannis, D.; Hofer, C.; Gao, C.; Xie, X.; Béché, A.; Pennycook, Tj.; Verbeeck, J. pdf  url
doi  openurl
  Title Event driven 4D STEM acquisition with a Timepix3 detector: Microsecond dwell time and faster scans for high precision and low dose applications Type A1 Journal article
  Year 2022 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 233 Issue Pages 113423  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Four dimensional scanning transmission electron microscopy (4D STEM) records the scattering of electrons in a material in great detail. The benefits offered by 4D STEM are substantial, with the wealth of data it provides facilitating for instance high precision, high electron dose efficiency phase imaging via centre of mass or ptychography based analysis. However the requirement for a 2D image of the scattering to be recorded at each probe position has long placed a severe bottleneck on the speed at which 4D STEM can be performed. Recent advances in camera technology have greatly reduced this bottleneck, with the detection efficiency of direct electron detectors being especially well suited to the technique. However even the fastest frame driven pixelated detectors still significantly limit the scan speed which can be used in 4D STEM, making the resulting data susceptible to drift and hampering its use for low dose beam sensitive applications. Here we report the development of the use of an event driven Timepix3 direct electron camera that allows us to overcome this bottleneck and achieve 4D STEM dwell times down to 100 ns; orders of magnitude faster than what has been possible with frame based readout. We characterize the detector for different acceleration voltages and show that the method is especially well suited for low dose imaging and promises rich datasets without compromising dwell time when compared to conventional STEM imaging.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000734396800003 Publication Date 2021-11-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.2 Times cited 31 Open Access OpenAccess  
  Notes This project has received funding from the Euro- pean Union’s Horizon 2020 Research Infrastructure – Integrating Activities for Advanced Communities under grant agreement No 823717 – ESTEEM3. J.V. and A.B. acknowledge funding from FWO project G093417N (‘Compressed sensing enabling low dose imaging in transmission electron microscopy’). J.V. and D.J. ac- knowledge funding from FWO project G042920N ‘Co- incident event detection for advanced spectroscopy in transmission electron microscopy’. We acknowledge funding under the European Union’s Horizon 2020 re- search and innovation programme (J.V. and D.J un- der grant agreement No 101017720, FET-Proactive EBEAM, and C.H., C.G., X.X. and T.J.P. from the Eu- ropean Research Council (ERC) Grant agreement No. 802123-HDEM).; esteem3JRA; esteem3reported Approved Most recent IF: 2.2  
  Call Number (up) EMAT @ emat @c:irua:183948 Serial 6828  
Permanent link to this record
 

 
Author Herzog, M.J.; Gauquelin, N.; Esken, D.; Verbeeck, J.; Janek, J. url  doi
openurl 
  Title Increased Performance Improvement of Lithium-Ion Batteries by Dry Powder Coating of High-Nickel NMC with Nanostructured Fumed Ternary Lithium Metal Oxides Type A1 Journal article
  Year 2021 Publication ACS applied energy materials Abbreviated Journal ACS Appl. Energy Mater.  
  Volume 4 Issue 9 Pages 8832-8848  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Dry powder coating is an effective approach to protect the surfaces of layered cathode active materials (CAMs) in lithium-ion batteries. Previous investigations indicate an incorporation of lithium ions in fumed Al2O3, ZrO2, and TiO2 coatings on LiNi0.7Mn0.15Co0.15O2 during cycling, improving the cycling performance. Here, this coating approach is transferred for the first time to fumed ternary LiAlO2, Li4Zr3O8, and Li4Ti5O12 and directly compared with their lithium-free equivalents. All materials could be processed equally and their nanostructured small aggregates accumulate on the CAM surfaces to quite homogeneous coating layers with a certain porosity. The LiNixMnyCozO2 (NMC) coated with lithium-containing materials shows an enhanced improvement in overall capacity, capacity retention, rate performance, and polarization behavior during cycling, compared to their lithium-free analogues. The highest rate performance was achieved with the fumed ZrO2 coating, while the best long-term cycling stability with the highest absolute capacity was obtained for the fumed LiAlO2-coated NMC. The optimal coating agent for NMC to achieve a balanced system is fumed Li4Ti5O12, providing a good compromise between high rate capability and good capacity retention. The coating agents prevent CAM particle cracking and degradation in the order LiAlO2 ≈ Al2O3 > Li4Ti5O12 > Li4Zr3O8 > ZrO2 > TiO2. A schematic model for the protection and electrochemical performance enhancement of high-nickel NMC with fumed metal oxide coatings is sketched. It becomes apparent that physical and chemical characteristics of the coating significantly influence the performance of NMC. A high degree of coating-layer porosity is favorable for the rate capability, while a high coverage of the surface, especially in vulnerable grain boundaries, enhances the long-term cycling stability and improves the cracking behavior of NMCs. While zirconium-containing coatings possess the best chemical properties for high rate performances, aluminum-containing coatings feature a superior chemical nature to protect high-nickel NMCs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000703338600018 Publication Date 2021-09-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2574-0962 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 15 Open Access OpenAccess  
  Notes For his support in scanning electron microscopy analysis, the authors thank Erik Peldszus. N. G. and J. V. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp and from the Flemish Research Fund (FWO) project G0F1320N. The Qu-Ant-EM microscope and the direct electron detector were partly funded by the Hercules fund from the Flemish Government Approved Most recent IF: NA  
  Call Number (up) EMAT @ emat @c:irua:183949 Serial 6823  
Permanent link to this record
 

 
Author Walters, A.A.; Santacana-Font, G.; Li, J.; Routabi, N.; Qin, Y.; Claes, N.; Bals, S.; Tzu-Wen Wang, J.; Al-Jamal, K.T. pdf  url
doi  openurl
  Title Nanoparticle-MediatedIn SituMolecular Reprogramming of Immune Checkpoint Interactions for Cancer Immunotherapy Type A1 Journal article
  Year 2021 Publication Acs Nano Abbreviated Journal Acs Nano  
  Volume 15 Issue 11 Pages 17549-17564  
  Keywords A1 Journal article; Pharmacology. Therapy; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Immune checkpoint blockade involves targeting immune

regulatory molecules with antibodies. Preclinically, complex multiantibody

regimes of both inhibitory and stimulatory targets are a promising

candidate for the next generation of immunotherapy. However, in this

setting, the antibody platform may be limited due to excessive toxicity

caused by off target effects as a result of systemic administration. RNA

can be used as an alternate to antibodies as it can both downregulate

immunosuppressive checkpoints (siRNA) or induce expression of

immunostimulatory checkpoints (mRNA). In this study, we demonstrate

that the combination of both siRNA and mRNA in a single

formulation can simultaneously knockdown and induce expression of

immune checkpoint targets, thereby reprogramming the tumor

microenvironment from immunosuppressive to immunostimulatory

phenotype. To achieve this, RNA constructs were synthesized and

formulated into stable nucleic acid lipid nanoparticles (SNALPs); the SNALPs produced were 140−150 nm in size with >80%

loading efficiency. SNALPs could transfect macrophages and B16F10 cells in vitro resulting in 75% knockdown of inhibitory

checkpoint (PDL1) expression and simultaneously express high levels of stimulatory checkpoint (OX40L) with minimal

toxicity. Intratumoral treatment with the proposed formulation resulted in statistically reduced tumor growth, a greater

density of CD4+ and CD8+ infiltrates in the tumor, and immune activation within tumor-draining lymph nodes. These data

suggest that a single RNA-based formulation can successfully reprogram multiple immune checkpoint interactions on a

cellular level. Such a candidate may be able to replace future immune checkpoint therapeutic regimes composed of both

stimulatory- and inhibitory-receptor-targeting antibodies.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000747115200039 Publication Date 2021-11-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.942 Times cited 11 Open Access OpenAccess  
  Notes A.A.W. is the grateful recipient of a Maplethorpe Fellowship. K.A.J. acknowledges funding from the British Council (Newton Fund, 337313), Wellcome Trust (WT103913), and the Cancer Research UK King’s Health Partners Centre at King’s College London. Financial support is acknowledged from the European Commission under the Horizon 2020 Programme, by means of Grant Agreement No. 731019 (EUSMI). Images were drawn on BioRender.com. Approved Most recent IF: 13.942  
  Call Number (up) EMAT @ emat @c:irua:183950 Serial 6829  
Permanent link to this record
 

 
Author Feng, X.; Jena, H.S.; Krishnaraj, C.; Arenas-Esteban, D.; Leus, K.; Wang, G.; Sun, J.; Rüscher, M.; Timoshenko, J.; Roldan Cuenya, B.; Bals, S.; Voort, P.V.D. pdf  url
doi  openurl
  Title Creation of Exclusive Artificial Cluster Defects by Selective Metal Removal in the (Zn, Zr) Mixed-Metal UiO-66 Type A1 Journal article
  Year 2021 Publication Journal Of The American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume Issue Pages jacs.1c05357  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The differentiation between missing linker defects

and missing cluster defects in MOFs is difficult, thereby limiting the

ability to correlate materials properties to a specific type of defects.

Herein, we present a novel and easy synthesis strategy for the

creation of solely “missing cluster defects” by preparing mixed-metal

(Zn, Zr)-UiO-66 followed by a gentle acid wash to remove the Zn

nodes. The resulting material has the reo UiO-66 structure, typical

for well-defined missing cluster defects. The missing clusters are

thoroughly characterized, including low-pressure Ar-sorption, iDPCSTEM

at a low dose (1.5 pA), and XANES/EXAFS analysis. We

show that the missing cluster UiO-66 has a negligible number of missing linkers. We show the performance of the missing cluster

UiO-66 in CO2 sorption and heterogeneous catalysis.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000730569500001 Publication Date 2021-12-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0002-7863 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 29 Open Access OpenAccess  
  Notes Agentschap Innoveren en Ondernemen, HBC.2019.0110 HBC.2021.0254 ; Universiteit Gent; Fonds Wetenschappelijk Onderzoek, 665501 ; Dalian University of Technology; China Scholarship Council, 201507565009 ; National Natural Science Foundation of China, 22101039 ; H2020 European Research Council, 815128 REALNANO ; sygmaSB Approved Most recent IF: 13.858  
  Call Number (up) EMAT @ emat @c:irua:183951 Serial 6833  
Permanent link to this record
 

 
Author Mustonen, K.; Hofer, C.; Kotrusz, P.; Markevich, A.; Hulman, M.; Mangler, C.; Susi, T.; Pennycook, T.J.; Hricovini, K.; Richter, C.M.; Meyer, J.C.; Kotakoski, J.; Skákalová, V. url  doi
openurl 
  Title Towards Exotic Layered Materials: 2D Cuprous Iodide Type A1 Journal article
  Year 2021 Publication Advanced materials Abbreviated Journal Adv Mater  
  Volume Issue Pages 2106922  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Heterostructures composed of two-dimensional (2D) materials are already opening many new possibilities in such fields of technology as electronics and magnonics, but far more could be achieved if the number and diversity of 2D materials is increased. So far, only a few dozen 2D crystals have been extracted from materials that exhibit a layered phase in ambient conditions, omitting entirely the large number of layered materials that may exist in other temperatures and pressures. Here, we demonstrate how these structures can be stabilized in 2D van der Waals stacks under room temperature via growing them directly in graphene encapsulation by using graphene oxide as the template material. Specifically, we produce an ambient stable 2D structure of copper and iodine, a material that normally only occurs in layered form at elevated temperatures between 645 and 675 K. Our results establish a simple route to the production of more exotic phases of materials that would otherwise be difficult or impossible to stabilize for experiments in ambient.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000744012500001 Publication Date 2021-12-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0935-9648 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 19.791 Times cited Open Access OpenAccess  
  Notes We acknowledge funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme Grant agreements No.~756277-ATMEN (A.M. and T.S.) and No.802123-HDEM (C.H. and T.J.P.). Computational resources from the Vienna Scientific Cluster (VSC) are gratefully acknowledged. V.S. was supported by the Austrian Science Fund (FWF) (project no. I2344-N36), the Slovak Research and Development Agency (APVV-16-0319), the project CEMEA of the Slovak Academy of Sciences, ITMS project code 313021T081 of the Research & Innovation Operational Programme and from the V4-Japan Joint Research Program (BGapEng). J.K. acknowledges the FWF funding within project P31605-N36 and M.H. the funding from Slovak Research and Development Agency via the APVV-15-0693 and APVV-19-0365 project grants. Danubia NanoTech s.r.o. has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 101008099 (CompSafeNano project) and also thanks Mr. Kamil Bernath for his support. Approved Most recent IF: 19.791  
  Call Number (up) EMAT @ emat @c:irua:183956 Serial 6834  
Permanent link to this record
 

 
Author Mushtaq, A.; Pradhan, B.; Kushavah, D.; Zhang, Y.; Wolf, M.; Schrenker, N.; Fron, E.; Bals, S.; Hofkens, J.; Debroye, E.; Pal, S.K. pdf  url
doi  openurl
  Title Third-Order Nonlinear Optical Properties and Saturation of Two-Photon Absorption in Lead-Free Double Perovskite Nanocrystals under Femtosecond Excitation Type A1 Journal article
  Year 2021 Publication Acs Photonics Abbreviated Journal Acs Photonics  
  Volume 8 Issue 11 Pages 3365-3374  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Lead halide perovskites have been widely explored

in the field of photovoltaics, light-emitting diodes, and lasers due to

their outstanding linear and nonlinear optical (NLO) properties.

But, the presence of lead toxicity and low chemical stability remain

serious concerns. Lead-free double perovskite with excellent

optical properties and chemical stability could be an alternative.

However, proper examination of the NLO properties of such a

material is crucial to identify their utility for future nonlinear device

applications. Herein, we have made use of femtosecond (fs) Z-scan

technique to explore the NLO properties of Cs2AgIn0.9Bi0.1Cl6

nanocrystals (NCs). Our measurements suggest that under

nonresonant fs excitation, perovskite NCs exhibit strong twophoton

absorption (TPA). The observed saturation of TPA at high

light intensities has been explained by a customized model. Furthermore, we have demonstrated a change in the nonlinear refractive

index of the NCs under varying input intensities. The strong TPA absorption of lead-free double perovskite NCs could be used for

Kerr nonlinearity-based nonlinear applications such as optical shutters for picosecond lasers.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000757024100028 Publication Date 2021-11-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2330-4022 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.756 Times cited 25 Open Access OpenAccess  
  Notes A.M. is thankful to IIT Mandi for his fellowship and Advanced Materials Research Centre for the experimental facilities. A.M. is also thankful to Torbjörn Pascher (Pascher Instrument) for writing the Z-scan data acquisition program. J.H. acknowledges financial support from the Research Foundation-Flanders (FWO, Grant No. G983.19N, G0A5817N, and G0H6316N) and the Flemish government through long-term structural funding Methusalem (CASAS2, Meth/15/04). B.P. acknowledges postdoctoral fellowship from the Research Foundation- Flanders (FWO Grant No. 1275521N). D.K. acknowledges the financial support from Science and Engineering Research Board (Grant No. PDF/2018/003146), India. N.J.S. acknowledges financial support from the Research Foundation- Flanders via a postdoctoral fellowship (FWO Grant No. 1238622N). Approved Most recent IF: 6.756  
  Call Number (up) EMAT @ emat @c:irua:184249 Serial 6832  
Permanent link to this record
 

 
Author Zhang, Y.; Qin, S.; Claes, N.; Schilling, W.; Sahoo, P.K.; Ching, H.Y.V.; Jaworski, A.; Lemière, F.; Slabon, A.; Van Doorslaer, S.; Bals, S.; Das, S. pdf  url
doi  openurl
  Title Direct Solar Energy-Mediated Synthesis of Tertiary Benzylic Alcohols Using a Metal-Free Heterogeneous Photocatalyst Type A1 Journal article
  Year 2022 Publication ACS Sustainable Chemistry and Engineering Abbreviated Journal Acs Sustain Chem Eng  
  Volume 10 Issue 1 Pages 530-540  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Organic synthesis (ORSY)  
  Abstract Direct hydroxylation via the functionalization of tertiary benzylic C(sp3)-H bond is of great significance for obtaining tertiary alcohols which find wide applications in pharmaceuticals as well as in fine chemical industries. However, current synthetic procedures use toxic reagents and therefore, the development of a sustainable strategy for the synthesis of tertiary benzyl alcohols is highly desirable. To solve this problem, herein, we report a metal-free

heterogeneous photocatalyst to synthesize the hydroxylated products using oxygen as the key reagent. Various benzylic substrates were employed into our mild reaction conditions to afford the desirable products in good to excellent yields. More importantly, gram-scale reaction was achieved via harvesting direct solar energy and exhibited high quantity of the product. The high stability of the catalyst was proved via recycling the catalyst and spectroscopic analyses. Finally, a possible mechanism was proposed based on the EPR and other experimental

evidence.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000736518000001 Publication Date 2022-01-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2168-0485 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.4 Times cited 24 Open Access OpenAccess  
  Notes We thank BOF joint PhD grant (to Y. Z.), Francqui Foundation and FWO research grant (to S.D.), Chinese Scholarship Council (to Y.Z.). A.S. would like to thank the Swedish Energy Agency for financial support (project nr: 5050-1). The SEM microscope was partly funded by the Hercules Fund from the Flemish Government. Approved Most recent IF: 8.4  
  Call Number (up) EMAT @ emat @c:irua:184744 Serial 6900  
Permanent link to this record
 

 
Author Zheng, Y.-R.; Vernieres, J.; Wang, Z.; Zhang, K.; Hochfilzer, D.; Krempl, K.; Liao, T.-W.; Presel, F.; Altantzis, T.; Fatermans, J.; Scott, S.B.; Secher, N.M.; Moon, C.; Liu, P.; Bals, S.; Van Aert, S.; Cao, A.; Anand, M.; Nørskov, J.K.; Kibsgaard, J.; Chorkendorff, I. url  doi
openurl 
  Title Monitoring oxygen production on mass-selected iridium–tantalum oxide electrocatalysts Type A1 Journal article
  Year 2021 Publication Nature Energy Abbreviated Journal Nat Energy  
  Volume Issue Pages  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)  
  Abstract Development of low-cost and high-performance oxygen evolution reaction catalysts is key to implementing polymer electrolyte membrane water electrolyzers for hydrogen production. Iridium-based oxides are the state-of-the-art acidic oxygen evolution reactio catalysts but still suffer from inadequate activity and stability, and iridium's scarcity motivates the discovery of catalysts with lower iridium loadings. Here we report a mass-selected iridium-tantalum oxide catalyst prepared by a magnetron-based cluster source with considerably reduced noble-metal loadings beyond a commercial IrO2 catalyst. A sensitive electrochemistry/mass-spectrometry instrument coupled with isotope labelling was employed to investigate the oxygen production rate under dynamic operating conditions to account for the occurrence of side reactions and quantify the number of surface active sites. Iridium-tantalum oxide nanoparticles smaller than 2 nm exhibit a mass activity of 1.2 ± 0.5 kA “g” _“Ir” ^“-1” and a turnover frequency of 2.3 ± 0.9 s-1 at 320 mV overpotential, which are two and four times higher than those of mass-selected IrO2, respectively. Density functional theory calculations reveal that special iridium coordinations and the lowered aqueous decomposition free energy might be responsible for the enhanced performance.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000728458000001 Publication Date 2021-12-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2058-7546 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 95 Open Access OpenAccess  
  Notes Y.-R.Z. and Z.W acknowledge funding from the Toyota Research Institute. This project has received funding from VILLUM FONDEN (grant no. 9455) and the European Research Council under the European Union’s Horizon 2020 research and innovation programme (grants no. 741860-CLUNATRA, no. 815128−REALNANO and no. 770887−PICOMETRICS). S.B. and S.V.A. acknowledge funding from the Research Foundation Flanders (FWO, G026718N and G050218N). T.A. acknowledges the University of Antwerp Research Fund (BOF). STEM measurements were supported by the European Union's Horizon 2020 Research Infrastructure-Integrating Activities for Advanced Communities under grant agreement No 823717 – ESTEEM3.; sygmaSB Approved Most recent IF: NA  
  Call Number (up) EMAT @ emat @c:irua:184794 Serial 6903  
Permanent link to this record
 

 
Author Robert, Hl.; Lobato, I.; Lyu, Fj.; Chen, Q.; Van Aert, S.; Van Dyck, D.; Müller-Caspary, K. url  doi
openurl 
  Title Dynamical diffraction of high-energy electrons investigated by focal series momentum-resolved scanning transmission electron microscopy at atomic resolution Type A1 Journal article
  Year 2022 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 233 Issue Pages 113425  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab  
  Abstract We report a study of scattering dynamics in crystals employing momentum-resolved scanning transmission

electron microscopy under varying illumination conditions. As we perform successive changes of the probe

focus, multiple real-space signals are obtained in dependence of the shape of the incident electron wave.

With support from extensive simulations, each signal is shown to be characterised by an optimum focus for

which the contrast is maximum and which differs among different signals. For instance, a systematic focus

mismatch is found between images formed by high-angle scattering, being sensitive to thickness and chemical

composition, and the first moment in diffraction space, being sensitive to electric fields. It follows that a single

recording at one specific probe focus is usually insufficient to characterise materials comprehensively. Most

importantly, we demonstrate in experiment and simulation that the second moment (
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000734396800009 Publication Date 2021-11-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.2 Times cited Open Access OpenAccess  
  Notes We thank Dr. Florian Winkler for valuable discussions and experimental work at the early stages of this study. This work was supported by the Initiative and Network Fund of the Helmholtz Association (Germany) under contracts VH-NG-1317 and ZT-I-0025. This project furthermore received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement No. 770887). Approved Most recent IF: 2.2  
  Call Number (up) EMAT @ emat @c:irua:184833 Serial 6898  
Permanent link to this record
 

 
Author Chen, B.; Gauquelin, N.; Green, R.J.; Verbeeck, J.; Rijnders, G.; Koster, G. url  doi
openurl 
  Title Asymmetric Interfacial Intermixing Associated Magnetic Coupling in LaMnO3/LaFeO3 Heterostructures Type A1 Journal article
  Year 2021 Publication Frontiers in physics Abbreviated Journal Front. Phys.  
  Volume 9 Issue Pages  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The structural and magnetic properties of LaMnO<sub>3</sub>/LaFeO<sub>3</sub>(LMO/LFO) heterostructures are characterized using a combination of scanning transmission electron microscopy, electron energy-loss spectroscopy, bulk magnetometry, and resonant x-ray reflectivity. Unlike the relatively abrupt interface when LMO is deposited on top of LFO, the interface with reversed growth order shows significant cation intermixing of Mn<sup>3+</sup>and Fe<sup>3+</sup>, spreading ∼8 unit cells across the interface. The asymmetric interfacial chemical profiles result in distinct magnetic properties. The bilayer with abrupt interface shows a single magnetic hysteresis loop with strongly enhanced coercivity, as compared to the LMO plain film. However, the bilayer with intermixed interface shows a step-like hysteresis loop, associated with the separate switching of the “clean” and intermixed LMO sublayers. Our study illustrates the key role of interfacial chemical profile in determining the functional properties of oxide heterostructures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000745284500001 Publication Date 2021-12-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2296-424X ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited 1 Open Access OpenAccess  
  Notes This work is supported by the international M-ERA.NET project SIOX (project 4288) and H2020 project ULPEC (project 732642). The X-Ant-EM microscope and the direct electron detector were partly funded by the Hercules fund from the Flemish Government. NG and JV acknowledge funding from GOA project “Solarpaint” of the University of Antwerp. RG was supported by the Natural Sciences and Engineering Research Council of Canada (NSERC). Part of the research described in this paper was performed at the Canadian Light Source, a national research facility of the University of Saskatchewan, which is supported by the Canada Foundation for Innovation (CFI), NSERC, the National Research Council (NRC), the Canadian Institutes of Health Research (CIHR), the Government of Saskatchewan, and the University of Saskatchewan. Approved Most recent IF: NA  
  Call Number (up) EMAT @ emat @c:irua:185176 Serial 6901  
Permanent link to this record
 

 
Author Chen, B.; Gauquelin, N.; Strkalj, N.; Huang, S.; Halisdemir, U.; Nguyen, M.D.; Jannis, D.; Sarott, M.F.; Eltes, F.; Abel, S.; Spreitzer, M.; Fiebig, M.; Trassin, M.; Fompeyrine, J.; Verbeeck, J.; Huijben, M.; Rijnders, G.; Koster, G. url  doi
openurl 
  Title Signatures of enhanced out-of-plane polarization in asymmetric BaTiO3 superlattices integrated on silicon Type A1 Journal article
  Year 2022 Publication Nature communications Abbreviated Journal Nat Commun  
  Volume 13 Issue 1 Pages 265  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract In order to bring the diverse functionalities of transition metal oxides into modern electronics, it is imperative to integrate oxide films with controllable properties onto the silicon platform. Here, we present asymmetric LaMnO<sub>3</sub>/BaTiO<sub>3</sub>/SrTiO<sub>3</sub>superlattices fabricated on silicon with layer thickness control at the unit-cell level. By harnessing the coherent strain between the constituent layers, we overcome the biaxial thermal tension from silicon and stabilize<italic>c</italic>-axis oriented BaTiO<sub>3</sub>layers with substantially enhanced tetragonality, as revealed by atomically resolved scanning transmission electron microscopy. Optical second harmonic generation measurements signify a predominant out-of-plane polarized state with strongly enhanced net polarization in the tricolor superlattices, as compared to the BaTiO<sub>3</sub>single film and conventional BaTiO<sub>3</sub>/SrTiO<sub>3</sub>superlattice grown on silicon. Meanwhile, this coherent strain in turn suppresses the magnetism of LaMnO<sub>3</sub>as the thickness of BaTiO<sub>3</sub>increases. Our study raises the prospect of designing artificial oxide superlattices on silicon with tailored functionalities.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000741852200073 Publication Date 2022-01-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 16.6 Times cited 11 Open Access OpenAccess  
  Notes This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No 823717—ESTEEM3. B.C. is sponsored by Shanghai Sailing Program 21YF1410700. J.V. and N.G. acknowledge funding through the GOA project “Solarpaint” of the University of Antwerp. The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. D.J. acknowledges funding from FWO Project G093417N from the Flemish fund for scientific research. M.T., N.S., M.F.S. and M.F. acknowledge the financial support by the EU European Research Council (Advanced Grant 694955—INSEETO). M.T. acknowledges the Swiss National Science Foundation under Project No. 200021-188414. N.S. acknowledges support under the Swiss National Science Foundation under Project No. P2EZP2-199913. M.S. acknowledges funding from Slovenian Research Agency (Grants No. J2-2510, N2-0149 and P2-0091). B.C. acknowledges Prof. C.D.; Prof. F.Y.; Prof. B.T. and Dr. K.J. for valuable discussions.; esteem3reported; esteem3TA Approved Most recent IF: 16.6  
  Call Number (up) EMAT @ emat @c:irua:185179 Serial 6902  
Permanent link to this record
 

 
Author Altantzis, T.; Wang, D.; Kadu, A.; van Blaaderen, A.; Bals, S. url  doi
openurl 
  Title Optimized 3D Reconstruction of Large, Compact Assemblies of Metallic Nanoparticles Type A1 Journal article
  Year 2021 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C  
  Volume 125 Issue 47 Pages 26240-26246  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)  
  Abstract 3D characterization of assemblies of nanoparticles is of great importance to determine their structure-property connection. Such investigations become increasingly more challenging when the assemblies become larger and more compact. In this paper, we propose an optimized approach for electron tomography to minimize artefacts related to beam broadening in High Angle Annular Dark-Field Scanning Transmission Electron Microscopy mode. These artefacts are typically present at one side of the reconstructed 3D data set for thick nanoparticle assemblies. To overcome this problem, we propose a procedure in which two tomographic tilt series of the same sample are acquired. After acquiring the first series, the sample is flipped over 180o, and a second tilt series is acquired. By merging the two reconstructions, blurring in the reconstructed volume is minimized. Next, this approach is combined with an advanced three-dimensional reconstruction algorithm yielding quantitative structural information. Here, the approach is applied to a thick and compact assembly of spherical Au nanoparticles, but the methodology can we used to investigate a broad range of samples.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000752810100031 Publication Date 2021-12-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.536 Times cited 4 Open Access OpenAccess  
  Notes This work was supported by the European Research Council (grant No. 815128−REALNANO to S.B.). T.A. acknowledges the University of Antwerp Research fund (BOF). D.W. and A.v.B. acknowledge partial financial support from the European Research Council under the European Union’s Seventh Framework Program (FP-2007-2013)/ERC Advanced Grant Agreement 291667 HierarSACol. D.W. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in Horizon 2020 program (grant 894254 SuprAtom).; sygmaSB Approved Most recent IF: 4.536  
  Call Number (up) EMAT @ emat @c:irua:185224 Serial 6904  
Permanent link to this record
 

 
Author Salzmann, B.B.V.; Wit, J. de; Li, C.; Arenas-Esteban, D.; Bals, S.; Meijerink, A.; Vanmaekelbergh, D. url  doi
openurl 
  Title Two-Dimensional CdSe-PbSe Heterostructures and PbSe Nanoplatelets: Formation, Atomic Structure, and Optical Properties Type A1 Journal article
  Year 2022 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 126 Issue 3 Pages 1513-1522  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000744909200001 Publication Date 2022-01-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.7 Times cited 12 Open Access OpenAccess  
  Notes H. Meeldijk is kindly acknowledged for helping with electron microscopy at Utrecht University. T. Prins is kindly acknowledged for useful discussions. B.B.V.S. and D.V. acknowledge the Dutch NWO for financial support via the TOP-ECHO Grant No. 715.016.002. D.V. acknowledges financial support from the European ERC Council, ERC Advanced Grant 692691 “First Step”. J.W. and A.M. acknowledge financial support from the project CHEMIE.PGT.2019.004 of TKI/ Topsector Chemie, which is partly financed by the Dutch NWO. S.B, C.L., and D.A.E. acknowledge financial support from the European ERC Council, ERC Consolidator Grant realnano No. 815128. This project has received funding from the European Union’s Horizon 2020 research and innovation program under Grant No. 731019 (EUSMI). sygmaSB Approved Most recent IF: 3.7  
  Call Number (up) EMAT @ emat @c:irua:185454 Serial 6953  
Permanent link to this record
 

 
Author Mallick, S.; Zhang, W.; Batuk, M.; Gibbs, A.S.; Hadermann, J.; Halasyamani, P.S.; Hayward, M.A. url  doi
openurl 
  Title The crystal and defect structures of polar KBiNb2O7 Type A1 Journal article
  Year 2022 Publication Journal of the Chemical Society : Dalton transactions Abbreviated Journal Dalton T  
  Volume 51 Issue 5 Pages 1866-1873  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract KBiNb2O7 was prepared from RbBiNb2O7 by a sequence of cation exchange reactions which first convert RbBiNb2O7 to LiBiNb2O7, before KBiNb2O7 is formed by a further K-for-Li cation exchange. A combination of neutron, synchrotron X-ray and electron diffraction data reveal that KBiNb2O7 adopts a polar, layered, perovskite structure (space group A11m) in which the BiNb2O7 layers are stacked in a (0, ½, z) arrangement, with the K+ cations located in half of the available 10-coordinate interlayer cation sites. The inversion symmetry of the phase is broken by a large displacement of the Bi3+ cations parallel to the y-axis. HAADF-STEM images reveal that KBiNb2O7 exhibits frequent stacking faults which convert the (0. ½, z) layer stacking to (½, 0, z) stacking and vice versa, essentially switching the x- and y-axes of the material. By fitting the complex diffraction peak shape of the SXRD data collected from KBiNb2O7 it is estimated that each layer has approximately an ~11% chance of being defective – a high level which is attributed to the lack of cooperative NbO6 tilting in the material, which limits the lattice strain associated with each fault.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000741540300001 Publication Date 2022-01-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1477-9226 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 4 Times cited Open Access OpenAccess  
  Notes Experiments at the Diamond Light Source were performed as part of the Block Allocation Group award “Oxford/Warwick Solid State Chemistry BAG to probe composition-structure-property relationships in solids” (EE18786). Experiments at the ISIS pulsed neutron facility were supported by a beam time allocation from the STFC (RB 2000148). SM thanks Somerville College for an Oxford Ryniker Lloyd scholarship. PSH and WZ thank the National Science Foundation (DMR-2002319) for support. Approved Most recent IF: 4  
  Call Number (up) EMAT @ emat @c:irua:185504 Serial 6951  
Permanent link to this record
 

 
Author Park, D.-s.; Hadad, M.; Riemer, L.M.; Ignatans, R.; Spirito, D.; Esposito, V.; Tileli, V.; Gauquelin, N.; Chezganov, D.; Jannis, D.; Verbeeck, J.; Gorfman, S.; Pryds, N.; Muralt, P.; Damjanovic, D. url  doi
openurl 
  Title Induced giant piezoelectricity in centrosymmetric oxides Type A1 Journal article
  Year 2022 Publication Science Abbreviated Journal Science  
  Volume 375 Issue 6581 Pages 653-657  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Giant piezoelectricity can be induced in centrosymmetric oxides by controlling the long-range motion of oxygen vacancies.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000753975300036 Publication Date 2022-02-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0036-8075 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 56.9 Times cited 51 Open Access OpenAccess  
  Notes D.-S.P., V.E., N.P., P.M., and D.D. acknowledge the European Commission for project Biowings H2020 Fetopen 2018-2022 (grant no. 80127). N.P. acknowledges funding from the Villum Fonden for the NEED project (grant no. 00027993) and the Danish Council for Independent Research Technology and Production Sciences for the DFF-Research Project 3 (grant no. 00069B). S.G. acknowledges funding from the Israel Science Foundation (research grant 1561/18 and equipment grant 2247/18). This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant no. 823717 – ESTEEM3. D.C. acknowledges TOP/BOF funding of the University of Antwerp. M.H. and P.M. acknowledge funding from the Swiss National Science Foundation (grant nos. 200020-162664/1 and 200021-143424/1); esteem3reported; esteem3TA Approved Most recent IF: 56.9  
  Call Number (up) EMAT @ emat @c:irua:185876 Serial 6909  
Permanent link to this record
 

 
Author Stuyck, W.; Bugaev, A.L.; Nelis, T.; de Oliveira-Silva, R.; Smolders, S.; Usoltsev, O.A.; Arenas Esteban, D.; Bals, S.; Sakellariou, D.; De Vos, D. url  doi
openurl 
  Title Sustainable formation of tricarballylic acid from citric acid over highly stable Pd/Nb2O5.nH2O catalysts Type A1 Journal article
  Year 2022 Publication Journal of catalysis Abbreviated Journal J Catal  
  Volume Issue Pages  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000792492100009 Publication Date 2022-02-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9517 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.3 Times cited 5 Open Access OpenAccess  
  Notes Fonds Wetenschappelijk Onderzoek; Russian Science Foundation, 20-43-01015 ; KU Leuven, METU14/04 MK-5853.2021.1.2 ; Approved Most recent IF: 7.3  
  Call Number (up) EMAT @ emat @c:irua:186580 Serial 6954  
Permanent link to this record
 

 
Author Veronesi, S.; Pfusterschmied, G.; Fabbri, F.; Leitgeb, M.; Arif, O.; Esteban, D.A.; Bals, S.; Schmid, U.; Heun, S. url  doi
openurl 
  Title 3D arrangement of epitaxial graphene conformally grown on porousified crystalline SiC Type A1 Journal article
  Year 2022 Publication Carbon Abbreviated Journal Carbon  
  Volume 189 Issue Pages 210-218  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000760358800008 Publication Date 2021-12-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 10.9 Times cited 3 Open Access OpenAccess  
  Notes Horizon 2020; European Commission; Horizon 2020 Framework Programme; European Research Council, 128 731 019 ; European Research Council, REALNANO 815 128 ; sygmaSB Approved Most recent IF: 10.9  
  Call Number (up) EMAT @ emat @c:irua:186583 Serial 6952  
Permanent link to this record
 

 
Author Van Everbroeck, T.; Wu, J.; Arenas-Esteban, D.; Ciocarlan, R.-G.; Mertens, M.; Bals, S.; Dujardin, C.; Granger, P.; Seftel, E.M.; Cool, P. url  doi
openurl 
  Title ZnAl layered double hydroxide based catalysts (with Cu, Mn, Ti) used as noble metal-free three-way catalysts Type A1 Journal article
  Year 2022 Publication Applied clay science Abbreviated Journal Appl Clay Sci  
  Volume 217 Issue Pages 106390  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000795870100004 Publication Date 2022-01-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-1317 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.6 Times cited 6 Open Access OpenAccess  
  Notes The authors acknowledge financial support by theEuropean Union’s Horizon 2020 Project Partial-PGMs (H2020-NMP-686086). R-G C. and P.C. acknowledge the FWO-Flanders (project no. G038215N) for financial support. S⋅B and D.A.E thank the financial support of the European Research Council (ERC-CoG-2019 815128). The authors are grateful to Johnson Matthey, UK, for supplying the commercial benchmark catalysts; realnano; sygmaSB Approved Most recent IF: 5.6  
  Call Number (up) EMAT @ emat @c:irua:186956 Serial 6955  
Permanent link to this record
 

 
Author Ning, S.; Xu, W.; Ma, Y.; Loh, L.; Pennycook, T.J.; Zhou, W.; Zhang, F.; Bosman, M.; Pennycook, S.J.; He, Q.; Loh, N.D. pdf  url
doi  openurl
  Title Accurate and Robust Calibration of the Uniform Affine Transformation Between Scan-Camera Coordinates for Atom-Resolved In-Focus 4D-STEM Datasets Type A1 Journal article
  Year 2022 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal  
  Volume Issue Pages 1-11  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Accurate geometrical calibration between the scan coordinates and the camera coordinates is critical in four-dimensional scanning transmission electron microscopy (4D-STEM) for both quantitative imaging and ptychographic reconstructions. For atomic-resolved, in-focus 4D-STEM datasets, we propose a hybrid method incorporating two sub-routines, namely a J-matrix method and a Fourier method, which can calibrate the uniform affine transformation between the scan-camera coordinates using raw data, without a priori knowledge about the crystal structure of the specimen. The hybrid method is found robust against scan distortions and residual probe aberrations. It is also effective even when defects are present in the specimen, or the specimen becomes relatively thick. We will demonstrate that a successful geometrical calibration with the hybrid method will lead to a more reliable recovery of both the specimen and the electron probe in a ptychographic reconstruction. We will also show that, although the elimination of local scan position errors still requires an iterative approach, the rate of convergence can be improved, and the residual errors can be further reduced if the hybrid method can be firstly applied for initial calibration. The code is made available as a simple-to-use tool to correct affine transformations of the scan-camera coordinates in 4D-STEM experiments.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000767045700001 Publication Date 2022-03-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1431-9276 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.8 Times cited Open Access OpenAccess  
  Notes N. D. Loh kindly acknowledges support from NUS Early Career Research Award (R-154-000-B35-133), MOE’s AcRF Tier 1 grant nr. R-284-000-172-114 and NRF CRP grant number NRF-CRP16-2015-05. Q. He would also like to acknowledge the support of the National Research Foundation (NRF) Singapore, under its NRF Fellowship (NRF-NRFF11-2019-0002). W. Zhou acknowledges the support from Beijing Outstanding Young Scientist Program (BJJWZYJH01201914430039). F. Zhang acknowledges the support of the National Natural Science Foundation of China (11775105, 12074167). T. J. Pennycook acknowledges funding under the European Union’s Horizon 2020 research and innovation programme from the European Research Council (ERC) Grant agreement No. 802123-HDEM. Approved Most recent IF: 2.8  
  Call Number (up) EMAT @ emat @c:irua:186958 Serial 6957  
Permanent link to this record
 

 
Author Heyvaert, W.; Pedrazo-Tardajos, A.; Kadu, A.; Claes, N.; González-Rubio, G.; Liz-Marzán, L.M.; Albrecht, W.; Bals, S. pdf  url
doi  openurl
  Title Quantification of the Helical Morphology of Chiral Gold Nanorods Type A1 Journal article
  Year 2022 Publication ACS materials letters Abbreviated Journal ACS Materials Lett.  
  Volume 4 Issue Pages 642-649  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Chirality in inorganic nanoparticles and nanostructures has gained increasing scientific interest, because of the possibility to tune their ability to interact differently with left- and right-handed circularly polarized light. In some cases, the optical activity is hypothesized to originate from a chiral morphology of the nanomaterial. However, quantifying the degree of chirality in objects with sizes of tens of nanometers is far from straightforward. Electron tomography offers the possibility to faithfully retrieve the three-dimensional morphology of nanomaterials, but only a qualitative interpretation of the morphology of chiral nanoparticles has been possible so far. We introduce herein a methodology that enables us to quantify the helicity of complex chiral nanomaterials, based on the geometrical properties of a helix. We demonstrate that an analysis at the single particle level can provide significant insights into the origin of chiroptical properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000784490000013 Publication Date 2022-03-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2639-4979 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 11 Open Access OpenAccess  
  Notes S.B. and A.P.-T. gratefully acknowledge funding by the European Research Council (ERC Consolidator Grant #815128-REALNANO) the European Union’s Horizon 2020 research and innovation program under grant agreement #823717ESTEEM3. L.M.L.-M. acknowledges funding from MCIN/ AEI /10.13039/501100011033, grant # PID2020- 117779RB-I00 and the Maria de Maeztu Units of Excellence Program from the Spanish State Research Agency (Grant No. MDM-2017-0720). G.G.-R. thanks the Spanish Spanish Ministerio de Ciencia e Innovación for an FPI (BES-2014- 068972) fellowship.; SygmaSB; esteem3reported; esteem3jra Approved Most recent IF: NA  
  Call Number (up) EMAT @ emat @c:irua:186959 Serial 6956  
Permanent link to this record
 

 
Author Choo, P.; Arenas-Esteban, D.; Jung, I.; Chang, W.J.; Weiss, E.A.; Bals, S.; Odom, T.W. pdf  url
doi  openurl
  Title Investigating Reaction Intermediates during the Seedless Growth of Gold Nanostars Using Electron Tomography Type A1 Journal article
  Year 2022 Publication ACS nano Abbreviated Journal Acs Nano  
  Volume 16 Issue 3 Pages 4408-4414  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Good’s buffers can act both as nucleating and shape- directing agents during the synthesis of anisotropic gold nanostars (AuNS). Although different Good’s buffers can produce AuNS shapes with branches that are oriented along specific crystallographic directions, the mechanism is not fully understood. This paper reports how an analysis of the intermediate structures during AuNS synthesis from HEPES, EPPS, and MOPS Good’s buffers can provide insight into the formation of seedless AuNS. Electron tomography of AuNS structures quenched at early times (minutes) was used to characterize the morphology of the incipient seeds, and later times were used to construct the growth maps. Through this approach, we identified how the crystallinity and shape of the first structures synthesized with different Good’s buffers determine the final AuNS morphologies.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000780214300084 Publication Date 2022-03-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 17.1 Times cited 12 Open Access OpenAccess  
  Notes This work was supported by the National Science Foundation (NSF) under award NSF CHE-1808502 (P.C. and I.J.). This work made use of the EPIC facility of Northwestern University’s NUANCE Center, which has received support from the SHyNE Resource (NSF ECCS-2025633), the IIN, and Northwestern’s MRSEC program (NSF DMR-1720139). D.A E. and S.B. acknowledge funding from the European Research Council under the European Union’s Horizon 2020 research and innovation program (ERC Consolidator Grants No. 815128 REALNANO and Grant Agreement No. 731019 EUSMI).; sygmaSB Approved Most recent IF: 17.1  
  Call Number (up) EMAT @ emat @c:irua:187930 Serial 7055  
Permanent link to this record
 

 
Author Jannis, D.; Velazco, A.; Béché, A.; Verbeeck, J. url  doi
openurl 
  Title Reducing electron beam damage through alternative STEM scanning strategies, Part II: Attempt towards an empirical model describing the damage process Type A1 Journal article
  Year 2022 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume Issue Pages 113568  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract In this second part of a series we attempt to construct an empirical model that can mimick all experimental observations made regarding the role of an alternative interleaved scan pattern in STEM imaging on the beam damage in a specific zeolite sample. We make use of a 2D diffusion model that describes the dissipation of the deposited beam energy in the sequence of probe positions that are visited during the scan pattern. The diffusion process allows for the concept of trying to ‘outrun’ the beam damage by carefully tuning the dwell time and distance between consecutively visited probe positions. We add a non linear function to include a threshold effect and evaluate the accumulated damage in each part of the image as a function of scan pattern details. Together, these ingredients are able to describe qualitatively all aspects of the experimental data and provide us with a model that could guide a further optimisation towards even lower beam damage without lowering the applied electron dose. We deliberately remain vague on what is diffusing here which avoids introducing too many sample specific details. This provides hope that the model can be applied also in sample classes that were not yet studied in such great detail by adjusting higher level parameters: a sample dependent diffusion constant and damage threshold.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000832788000003 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.2 Times cited 4 Open Access OpenAccess  
  Notes D.J., A.V, A.B. and J.V. acknowledge funding from FWO project G093417N (’Compressed sensing enabling low dose imaging in transmission electron microscopy’) and G042920N (’Coincident event detection for advanced spectroscopy in transmission electron microscopy’). This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 823717 ESTEEM3. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. J.V. acknowledges funding from GOA project “Solarpaint” of the University of Antwerp .; esteem3reported; esteem3jra; Approved Most recent IF: 2.2  
  Call Number (up) EMAT @ emat @c:irua:188535 Serial 7071  
Permanent link to this record
 

 
Author Yu, C.-P.; Friedrich, T.; Jannis, D.; Van Aert, S.; Verbeeck, J. pdf  url
doi  openurl
  Title Real-Time Integration Center of Mass (riCOM) Reconstruction for 4D STEM Type A1 Journal article
  Year 2022 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal  
  Volume Issue Pages 1-12  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract A real-time image reconstruction method for scanning transmission electron microscopy (STEM) is proposed. With an algorithm requiring only the center of mass of the diffraction pattern at one probe position at a time, it is able to update the resulting image each time a new probe position is visited without storing any intermediate diffraction patterns. The results show clear features at high spatial frequency, such as atomic column positions. It is also demonstrated that some common post-processing methods, such as band-pass filtering, can be directly integrated in the real-time processing flow. Compared with other reconstruction methods, the proposed method produces high-quality reconstructions with good noise robustness at extremely low memory and computational requirements. An efficient, interactive open source implementation of the concept is further presented, which is compatible with frame-based, as well as event-based camera/file types. This method provides the attractive feature of immediate feedback that microscope operators have become used to, for example, conventional high-angle annular dark field STEM imaging, allowing for rapid decision-making and fine-tuning to obtain the best possible images for beam-sensitive samples at the lowest possible dose.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000792176100001 Publication Date 2022-04-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1431-9276 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.8 Times cited 7 Open Access OpenAccess  
  Notes Bijzonder Onderzoeksfonds UGent; H2020 European Research Council, 770887 ; H2020 European Research Council, 823717 ; H2020 European Research Council, ESTEEM3 / 823717 ; H2020 European Research Council, PICOMETRICS / 770887 ; Fonds Wetenschappelijk Onderzoek, 30489208 ; Herculesstichting; esteem3reported; esteem3jra Approved Most recent IF: 2.8  
  Call Number (up) EMAT @ emat @c:irua:188538 Serial 7068  
Permanent link to this record
 

 
Author Pedrazo-Tardajos, A.; Arslan Irmak, E.; Kumar, V.; Sánchez-Iglesias, A.; Chen, Q.; Wirix, M.; Freitag, B.; Albrecht, W.; Van Aert, S.; Liz-Marzán, L.M.; Bals, S. pdf  url
doi  openurl
  Title Thermal Activation of Gold Atom Diffusion in Au@Pt Nanorods Type A1 Journal article
  Year 2022 Publication ACS nano Abbreviated Journal Acs Nano  
  Volume Issue Pages  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Understanding the thermal stability of bimetallic nanoparticles is of vital importance to preserve their functionalities during their use in a variety of applications. In contrast to well-studied bimetallic systems such as Au@Ag, heat-induced morphological and compositional changes in Au@Pt nanoparticles are insufficiently understood, even though Au@Pt is an important material for catalysis. To investigate the thermal instability of Au@Pt nanorods at temperatures below their bulk melting point, we combined in situ heating with two- and three-dimensional electron microscopy techniques, including three-dimensional energy-dispersive X-ray spectroscopy. The experimental results were used as input for molecular dynamics simulations, to unravel the mechanisms behind the morphological transformation of Au@Pt core–shell nanorods. We conclude that thermal stability is influenced not only by the degree of coverage of Pt on Au but also by structural details of the Pt shell.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000819246800001 Publication Date 2022-06-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 17.1 Times cited 8 Open Access OpenAccess  
  Notes S.B., S.V.A., L.M.L.-M. and A.P.-T. acknowledge financial support from the European Commission under the Horizon 2020 Programme by grant nos. 731019 (EUSMI) and 823717 (ESTEEM3) and ERC Consolidator grant nos. 815128 (REALNANO) and 770887 (PICOMETRICS). L.M.L.-M. acknowledges funding from MCIN/AEI/10.13039/501100011033 through grants no. PID2020-117779RB-I00 and Maria de Maeztu Unit of Excellence no. MDM-2017-0720. The authors acknowledge the resources and services used for the simulations in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government.; esteem3reported; esteem3JRA Approved Most recent IF: 17.1  
  Call Number (up) EMAT @ emat @c:irua:188540 Serial 7072  
Permanent link to this record
 

 
Author Nematollahi, P.; Barbiellini, B.; Bansil, A.; Lamoen, D.; Qingying, J.; Mukerjee, S.; Neyts, E.C. pdf  url
doi  openurl
  Title Identification of a Robust and Durable FeN4CxCatalyst for ORR in PEM Fuel Cells and the Role of the Fifth Ligand Type A1 Journal article
  Year 2022 Publication ACS catalysis Abbreviated Journal Acs Catal  
  Volume Issue Pages 7541-7549  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Although recent studies have advanced the understanding of pyrolyzed

Fe−N−C materials as oxygen reduction reaction (ORR) catalysts, the atomic and

electronic structures of the active sites and their detailed reaction mechanisms still remain unknown. Here, based on first-principles density functional theory (DFT) computations, we discuss the electronic structures of three FeN4 catalytic centers with different local topologies of the surrounding C atoms with a focus on unraveling the mechanism of their ORR activity in acidic electrolytes. Our study brings back a forgotten, synthesized pyridinic Fe−N coordinate to the community’s attention, demonstrating that this catalyst can exhibit excellent activity for promoting direct four-electron ORR through the addition of a fifth ligand such as −NH2, −OH, and −SO4. We also identify sites with good stability properties through the combined use of our DFT calculations and Mössbauer spectroscopy data.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000823193100001 Publication Date 2022-06-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2155-5435 ISBN Additional Links UA library record; WoS full record; WoS full record; WoS citing articles  
  Impact Factor 12.9 Times cited Open Access OpenAccess  
  Notes Basic Energy Sciences, DE-FG02-07ER46352 ; Fonds Wetenschappelijk Onderzoek, 1261721N ; Opetus- ja Kulttuuriministeri?; Department of Energy, DE-EE0008416 ; Approved Most recent IF: 12.9  
  Call Number (up) EMAT @ emat @c:irua:189000 Serial 7073  
Permanent link to this record
Select All    Deselect All
 |   | 
Details
   print

Save Citations:
Export Records: