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Author de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S.
Title Atom counting Type H2 Book chapter
Year 2021 Publication Advances in imaging and electron physics T2 – Advances in imaging and electron physics Abbreviated Journal
Volume Issue Pages 91-144
Keywords H2 Book chapter; Electron microscopy for materials research (EMAT); Vision lab
Abstract In this chapter, a statistical model-based method to count the number of atoms of monotype crystalline nanostructures from high-resolution annular dark-field (ADF) scanning transmission electron microscopy (STEM) images is discussed in detail together with a thorough study on the possibilities and inherent limitations. We show that this method can be applied to nanocrystals of arbitrary shape, size, and atom type. The validity of the atom-counting results is confirmed by means of detailed image simulations and it is shown that the high sensitivity of our method enables us to count atoms with single atom sensitivity.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2021-03-06
Series Editor Series Title Abbreviated Series Title
Series Volume 217 Series Issue Edition
ISSN ISBN 978-0-12-824607-8; 1076-5670 Additional Links UA library record
Impact Factor Times cited Open Access Not_Open_Access
Notes ERC Consolidator project funded by the European Union grant #770887 Picometrics Approved Most recent IF: NA
Call Number (down) UA @ admin @ c:irua:177529 Serial 6776
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Author de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S.
Title Efficient fitting algorithm Type H2 Book chapter
Year 2021 Publication Advances in imaging and electron physics T2 – Advances in imaging and electron physics Abbreviated Journal
Volume Issue Pages 73-90
Keywords H2 Book chapter; Electron microscopy for materials research (EMAT)
Abstract An efficient model-based estimation algorithm is introduced to quantify the atomic column positions and intensities from atomic-resolution (scanning) transmission electron microscopy ((S)TEM) images. This algorithm uses the least squares estimator on image segments containing individual columns fully accounting for overlap between neighboring columns, enabling the analysis of a large field of view. To provide end-users with this well-established quantification method, a user friendly program, StatSTEM, is developed which is freely available under a GNU public license. In this chapter, this efficient algorithm is applied to three different nanostructures for which the analysis of a large field of view is required.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2021-03-06
Series Editor Series Title Abbreviated Series Title
Series Volume 217 Series Issue Edition
ISSN ISBN 978-0-12-824607-8; 1076-5670 Additional Links UA library record
Impact Factor Times cited Open Access Not_Open_Access
Notes ERC Consolidator project funded by the European Union grant #770887 Picometrics Approved Most recent IF: NA
Call Number (down) UA @ admin @ c:irua:177528 Serial 6778
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Author de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S.
Title Statistical parameter estimation theory : principles and simulation studies Type H2 Book chapter
Year 2021 Publication Advances in imaging and electron physics T2 – Advances in imaging and electron physics Abbreviated Journal
Volume Issue Pages 29-72
Keywords H2 Book chapter; Electron microscopy for materials research (EMAT); Vision lab
Abstract In this chapter, the principles of statistical parameter estimation theory for a quantitative analysis of atomic-resolution electron microscopy images are introduced. Within this framework, electron microscopy images are described by a parametric statistical model. Here, parametric models are introduced for different types of electron microscopy images: reconstructed exit waves, annular dark-field (ADF) scanning transmission electron microscopy (STEM) images, and simultaneously acquired ADF and annular bright-field (ABF) STEM images. Furthermore, the Cramér-Rao lower bound (CRLB) is introduced, i.e. a theoretical lower bound on the variance of any unbiased estimator. This CRLB is used to quantify the precision of the structure parameters of interest, such as the atomic column positions and the integrated atomic column intensities.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2021-03-06
Series Editor Series Title Abbreviated Series Title
Series Volume 217 Series Issue Edition
ISSN ISBN 978-0-12-824607-8; 1076-5670 Additional Links UA library record
Impact Factor Times cited Open Access Not_Open_Access
Notes ERC Consolidator project funded by the European Union grant #770887 Picometrics Approved Most recent IF: NA
Call Number (down) UA @ admin @ c:irua:177527 Serial 6788
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Author de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S.
Title Introduction Type H2 Book chapter
Year 2021 Publication Advances in imaging and electron physics T2 – Advances in imaging and electron physics Abbreviated Journal
Volume Issue Pages 1-28
Keywords H2 Book chapter; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2021-03-06
Series Editor Series Title Abbreviated Series Title
Series Volume 217 Series Issue Edition
ISSN ISBN 978-0-12-824607-8; 1076-5670 Additional Links UA library record
Impact Factor Times cited Open Access Not_Open_Access
Notes ERC Consolidator project funded by the European Union grant #770887 Picometrics Approved Most recent IF: NA
Call Number (down) UA @ admin @ c:irua:177525 Serial 6784
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Author Borah, R.; Ninakanti, R.; Nuyts, G.; Peeters, H.; Pedrazo-Tardajos, A.; Nuti, S.; Vande Velde, C.; De Wael, K.; Lenaerts, S.; Bals, S.; Verbruggen, S.
Title Selectivity in ligand functionalization of photocatalytic metal oxide nanoparticles for phase transfer and self‐assembly applications Type A1 Journal article
Year 2021 Publication Chemistry-A European Journal Abbreviated Journal Chem-Eur J
Volume Issue Pages chem.202100029-15
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Sustainable Energy, Air and Water Technology (DuEL); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS)
Abstract Functionalization of photocatalytic metal oxide nanoparticles of TiO 2 , ZnO, WO 3 and CuO with amine‐terminated (oleylamine) and thiol‐terminated (1‐dodecanethiol) alkyl chained ligands was studied under ambient conditions. A high selectivity was observed in the binding specificity of a ligand towards nanoparticles of these different oxides. It was observed that oleylamine binds stably to only TiO 2 and WO 3 , while 1‐dodecanethiol binds stably only to ZnO and CuO. Similarly, polar to non‐polar solvent phase transfer of TiO 2 and WO 3 nanoparticles could be achieved by using oleylamine, but not by 1‐dodecanethiol, while the contrary holds for ZnO and CuO. The surface chemistry of ligand functionalized nanoparticles was probed by ATR‐FTIR spectroscopy, that enabled to elucidate the occupation of the ligands at the active sites. The photo‐stability of the ligands on the nanoparticle surface was determined by the photocatalytic self‐cleaning properties of the material. While TiO 2 and WO 3 degrade the ligands within 24 hours under both UV and visible light, ligands on ZnO and CuO remain unaffected. The gathered insights are also highly relevant from an application point of view. As an example, since the ligand functionalized nanoparticles are hydrophobic in nature, they can thus be self‐assembled at the air‐water interface, for obtaining nanoparticle films with demonstrated photocatalytic as well as anti‐fogging properties.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000652651400001 Publication Date 2021-04-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0947-6539 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.317 Times cited 15 Open Access OpenAccess
Notes R.B. and S.W.V. acknowledge financial support from the University of Antwerp Special Research Fund (BOF) for a DOCPRO4 doctoral scholarship. S.B. and A.P.-T. acknowledge financial support from the European Commission under the Horizon 2020 Program by means of the grant agreement no. 731019 EUSMI and the ERC Consolidator grant no. 815128 REALNANO.; sygmaSB Approved Most recent IF: 5.317
Call Number (down) UA @ admin @ c:irua:177495 Serial 6787
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Author Larraín, M.; Van Passel, S.; Thomassen, G.; Van Gorp, B.; Nhu, T.T.; Huysveld, S.; Van Geem, K.M.; De Meester, S.; Billen, P.
Title Techno-economic assessment of mechanical recycling of challenging post-consumer plastic packaging waste Type A1 Journal article
Year 2021 Publication Resources Conservation And Recycling Abbreviated Journal Resour Conserv Recy
Volume 170 Issue Pages 105607
Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS)
Abstract Increasing plastic recycling rates is crucial to tackle plastic pollution and reduce consumption of fossil resources. Recycling routes for post-consumer plastic fractions that are technologically and economically feasible remain a challenge. Profitable value chains for recycling mixed film and tray-like plastics have hardly been implemented today, in sharp contrast to recycling of relatively pure fractions such as polyethylene terephthalate and high-density polyethylene bottles. This study examines the economic feasibility of implementing mechanical recycling for plastic waste such as polypropylene, polystyrene, polyethylene films and mixed polyolefins. In most European countries these plastic fractions are usually incinerated or landfilled whilst in fact technologies exist to mechanically recycle them into regranulates or regrinds. Results show that the economic incentives for the recycling of plastic packaging depend predominantly on the product price and product yield. At current price levels, the most profitable plastic fraction to be recycled is PS rigids, with an internal rate of return of 14%, whereas the least profitable feed is a mixed polyolefin fraction with a negative internal rate of return in a scenario with steadily rising oil prices. Moreover, these values would be substantially reduced if oil prices, and therefore plastic product prices decrease. Considering a discount rate of 15% for a 15-year period, mechanical recycling is not profitable if no policy changes would be imposed by governments. Clearly low oil prices may jeopardize the mechanical recycling industry, inducing the need for policies that would increase the demand of recycled products such as imposing minimal recycled content targets.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000667309200042 Publication Date 2021-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-3449 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.313 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.313
Call Number (down) UA @ admin @ c:irua:177325 Serial 6946
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Author Saviuc, I.
Title Assessment of electric residential microgrids in the EU context : role of energy storage, interactions with the main grid, and policy scenarios Type Doctoral thesis
Year 2021 Publication Abbreviated Journal
Volume Issue Pages 158 p.
Keywords Doctoral thesis; Engineering Management (ENM)
Abstract As decentralized electricity generation plays an important role in the reform of the energy system in the EU, electric residential microgrids merit an assessment of their position and potential. The work on this dissertation focuses on the synergy between the development of microgrids that are powered by PV panels, and the adoption of energy storage, with the aim to identify shortcomings and propose solutions. Techno-economic assessment indicates that, for a microgrid that aims to maximize its self-consumption, the electricity pricing mechanisms that are current practice across the EU are detrimental to the economic viability of using energy storage. Case studies and simulations in Belgium, Greece, Denmark, Italy, Finland, Spain and Germany show conclusively how existing tariff structures (Net-Metering, Time-of-Use, Feed-in Tariff, with or without the option of a Capacity tariff) are suitable for stimulating renewable generation, but not storage. Another underlying reason that affects the economic viability of a residential microgrid in the current context relates to the technology losses, which cannot be compensated by electricity pricing mechanisms. Having established the need for a different approach in order to improve the economic viability of microgrids with storage, this work investigated whether a form of direct support to the microgrid operator can be envisioned. A cost-benefit analysis revealed that the benefits coming from decentralized energy generation toward the main electricity grid can be compared with the cost of including and operating energy storage, and therefore a direct support from the network operator and the public can be justified in order to attain the economic viability of a microgrid with storage. This way, the electricity network can benefit from an increased number of flexible, enriched microgrids within the system, the microgrid operators are incentivized to include energy storage, and the society contributes towards a sturdier energy supply with more engaged prosumers and less polluting emissions. Entrepreneurial diversity: a career motives’ perspective – Ilse D
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number (down) UA @ admin @ c:irua:177112 Serial 6915
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Author Van Hal, M.; Campos, R.; Lenaerts, S.; De Wael, K.; Verbruggen, S.W.
Title Gas phase photofuel cell consisting of WO₃- and TiO₂-photoanodes and an air-exposed cathode for simultaneous air purification and electricity generation Type A1 Journal article
Year 2021 Publication Applied Catalysis B-Environmental Abbreviated Journal Appl Catal B-Environ
Volume 292 Issue Pages 120204
Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Sustainable Energy, Air and Water Technology (DuEL)
Abstract Research has shown the potential of photofuel cells (PFCs) for waste water treatment, enabling the (partial) recovery of the energy released from the degraded compounds as electricity. Literature on PFCs targeting air pollution on the other hand is extremely scarce. In this work an autonomously operating air purification device targeting sustainable electricity generation is presented. Knowledge on gas phase operation of PFCs was gathered by combining photocatalytic and photoelectrochemical measurements, both for TiO2 and WO3-based photocatalysts. While TiO2-based photocatalysts performed better in direct photocatalytic experiments, they were outperformed by WO3-based photoanodes in all-gas-phase PFC operation. Not only do WO3-based photocatalysts generate the highest steady state photocurrent, they also achieved the highest fuel-to-electricity conversion (>65 %). The discrepancies between gas phase photocatalytic and photoelectrochemical processes highlight the difference in driving material properties. This study serves as a proof-of-concept towards development of an autonomous, low-cost and widely applicable waste gas-to-electricity PFC device.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000663216500001 Publication Date 2021-04-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0926-3373 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.446 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 9.446
Call Number (down) UA @ admin @ c:irua:177075 Serial 7989
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Author Daems, E.; Moro, G.; Berghmans, H.; Moretto, L.M.; Dewilde, S.; Angelini, A.; Sobott, F.; De Wael, K.
Title Native mass spectrometry for the design and selection of protein bioreceptors for perfluorinated compounds Type A1 Journal article
Year 2021 Publication Analyst Abbreviated Journal Analyst
Volume 146 Issue 6 Pages 2065-2073
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Biosensing platforms are answering the increasing demand for analytical tools for environmental monitoring of small molecules, such as per- and polyfluoroalkyl substances (PFAS). By transferring toxicological findings in bioreceptor design we can develop innovative pathways for biosensor design. Indeed, toxicological studies provide fundamental information about PFAS-biomolecule complexes that can help evaluate the applicability of the latter as bioreceptors. The toolbox of native mass spectrometry (MS) can support this evaluation, as shown by the two case studies reported in this work. The analysis of model proteins’ (i.e. albumin, haemoglobin, cytochrome c and neuroglobin) interactions with well-known PFAS, such as perfluorooctanoic acid (PFOA) and perfluorooctanesulfonic acid (PFOS), demonstrated the potential of this native MS screening approach. In the first case study, untreated albumin and delipidated albumin were compared in the presence and absence of PFOA confirming that the delipidation step increases albumin affinity for PFOA without affecting protein stability. In the second case study, the applicability of our methodology to identify potential bioreceptors for PFOS/PFOA was extended to other proteins. Structurally related haemoglobin and neuroglobin revealed a 1 : 1 complex, whereas no binding was observed for cytochrome c. These studies have value as a proof-of-concept for a general application of native MS to identify bioreceptors for toxic compounds.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000631575100031 Publication Date 2021-01-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2654; 1364-5528 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.885 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.885
Call Number (down) UA @ admin @ c:irua:177074 Serial 8294
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Author Rivera Julio, J.
Title Cálculos ab initio de sistemas 2D y de baja dimensionalidad Type Doctoral thesis
Year 2021 Publication Abbreviated Journal
Volume Issue Pages 137 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number (down) UA @ admin @ c:irua:176996 Serial 6718
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Author Voordeckers, D.; Meysman, F.J.R.; Billen, P.; Tytgat, T.; Van Acker, M.
Title The impact of street canyon morphology and traffic volume on NO₂ values in the street canyons of Antwerp Type A1 Journal article
Year 2021 Publication Building And Environment Abbreviated Journal Build Environ
Volume 197 Issue Pages 107825-10
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Research Group for Urban Development; Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS)
Abstract Air pollution remains a major environmental and health concern in urban environments, especially in street canyons that show increased pollution levels due to a lack of natural ventilation. Previous studies have investigated the relationship between street canyon morphology and in-canyon pollution levels. However, these studies are typically limited to the scale of a single street canyon and city-wide assessments on this matter are scarce. In 2018, NO2 concentrations were measured in 321 street canyons in the city of Antwerp (Belgium) as part of the large-scale citizen-science project “CurieuzeNeuzen”. In our research, this data was used to study the correlation between morphological indices (e.g. aspect ratio (AR), lateral aspect ratio (LAR), presence of trees) and the traffic volumes on a city-wide scale. The maximum hourly traffic volume (TVmax) and AR correlated significantly with the measured NO2 values, making them useful indicators for air quality in street canyons. For street canyons with AR > 0.65, a TVmax of 300 vehicles/hour was found as a threshold value to guarantee acceptable air quality. No significant correlations were found for the other parameters. Finally, a number of typical street canyon types were defined, which can be of fundamental interest for further research and spatial policy making.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000663167900003 Publication Date 2021-03-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0360-1323 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.053 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 4.053
Call Number (down) UA @ admin @ c:irua:176925 Serial 8064
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Author Kashiwar, A.; Hahn, H.; Kubel, C.
Title In situ TEM observation of cooperative grain rotations and the Bauschinger effect in nanocrystalline palladium Type A1 Journal article
Year 2021 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
Volume 11 Issue 2 Pages 432
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract We report on cooperative grain rotation accompanied by a strong Bauschinger effect in nanocrystalline (nc) palladium thin film. A thin film of nc Pd was subjected to cyclic loading-unloading using in situ TEM nanomechanics, and the evolving microstructural characteristics were investigated with ADF-STEM imaging and quantitative ACOM-STEM analysis. ADF-STEM imaging revealed a partially reversible rotation of nanosized grains with a strong out-of-plane component during cyclic loading-unloading experiments. Sets of neighboring grains were shown to rotate cooperatively, one after the other, with increasing/decreasing strain. ACOM-STEM in conjunction with these experiments provided information on the crystallographic orientation of the rotating grains at different strain levels. Local Nye tensor analysis showed significantly different geometrically necessary dislocation (GND) density evolution within grains in close proximity, confirming a locally heterogeneous deformation response. The GND density analysis revealed the formation of dislocation pile-ups at grain boundaries (GBs), indicating the generation of back stresses during unloading. A statistical analysis of the orientation changes of individual grains showed the rotation of most grains without global texture development, which fits to both dislocation- and GB sliding-based mechanisms. Overall, our quantitative in situ experimental approach explores the roles of these different deformation mechanisms operating in nanocrystalline metals during cyclic loading.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000622951500001 Publication Date 2021-02-14
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 Open Access OpenAccess
Notes Approved Most recent IF: 3.553
Call Number (down) UA @ admin @ c:irua:176770 Serial 6729
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Author Chen, B.; Gauquelin, N.; Green, R.J.; Lee, J.H.; Piamonteze, C.; Spreitzer, M.; Jannis, D.; Verbeeck, J.; Bibes, M.; Huijben, M.; Rijnders, G.; Koster, G.
Title Spatially controlled octahedral rotations and metal-insulator transitions in nickelate superlattices Type A1 Journal article
Year 2021 Publication Nano Letters Abbreviated Journal Nano Lett
Volume 21 Issue 3 Pages 1295-1302
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The properties of correlated oxides can be manipulated by forming short-period superlattices since the layer thicknesses are comparable with the typical length scales of the involved correlations and interface effects. Herein, we studied the metal-insulator transitions (MITs) in tetragonal NdNiO3/SrTiO3 superlattices by controlling the NdNiO3 layer thickness, n in the unit cell, spanning the length scale of the interfacial octahedral coupling. Scanning transmission electron microscopy reveals a crossover from a modulated octahedral superstructure at n = 8 to a uniform nontilt pattern at n = 4, accompanied by a drastically weakened insulating ground state. Upon further reducing n the predominant dimensionality effect continuously raises the MIT temperature, while leaving the antiferromagnetic transition temperature unaltered down to n = 2. Remarkably, the MIT can be enhanced by imposing a sufficiently large strain even with strongly suppressed octahedral rotations. Our results demonstrate the relevance for the control of oxide functionalities at reduced dimensions.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000619638600014 Publication Date 2021-01-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.712 Times cited 19 Open Access OpenAccess
Notes This work is supported by the international M-ERA.NET project SIOX (project 4288). 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.S. acknowledges funding from Slovenian Research Agency (Grants J2-9237 and P2-0091). R.J.G. acknowledges funding from 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. This work received support from the ERC CoG MINT (No. 615759) and from a PHC Van Gogh grant. M.B. thanks the French Academy of Science and the Royal Netherlands Academy of Arts and Sciences for supporting his stays in The Netherlands. This project has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No. 823717 -ESTEEM3. Approved Most recent IF: 12.712
Call Number (down) UA @ admin @ c:irua:176753 Serial 6736
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Author Zhao, H.; Li, C.-F.; Yong, X.; Kumar, P.; Palma, B.; Hu, Z.-Y.; Van Tendeloo, G.; Siahrostami, S.; Larter, S.; Zheng, D.; Wang, S.; Chen, Z.; Kibria, M.G.; Hu, J.
Title Coproduction of hydrogen and lactic acid from glucose photocatalysis on band-engineered Zn1-xCdxS homojunction Type A1 Journal article
Year 2021 Publication iScience Abbreviated Journal
Volume 24 Issue 2 Pages 102109
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Photocatalytic transformation of biomass into value-added chemicals coupled with co-production of hydrogen provides an explicit route to trap sunlight into the chemical bonds. Here, we demonstrate a rational design of Zn1-xCdxS solidsolution homojunction photocatalyst with a pseudo-periodic cubic zinc blende (ZB) and hexagonal wurtzite (WZ) structure for efficient glucose conversion to simultaneously produce hydrogen and lactic acid. The optimized Zn0.6Cd0.4S catalyst consists of a twinning superlattice, has a tuned bandgap, and displays excellent efficiency with respect to hydrogen generation (690 +/- 27.6 mu mol.h(-1).g(cat).(-1)), glucose conversion (similar to 90%), and lactic acid selectivity (similar to 87%) without any co-catalyst under visible light irradiation. The periodic WZ/ZB phase in twinning superlattice facilitates better charge separation, while superoxide radical (center dot O-2(-)) and photogenerated holes drive the glucose transformation and water oxidation reactions, respectively. This work demonstrates that rational photocatalyst design could realize an efficient and concomitant production of hydrogen and value-added chemicals from glucose photocatalysis.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000621266700080 Publication Date 2021-01-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2589-0042 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number (down) UA @ admin @ c:irua:176744 Serial 6720
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Author Ejsmont, A.; Andreo, J.; Lanza, A.; Galarda, A.; Macreadie, L.; Wuttke, S.; Canossa, S.; Ploetz, E.; Goscianska, J.
Title Applications of reticular diversity in metal-organic frameworks : an ever-evolving state of the art Type A1 Journal article
Year 2021 Publication Coordination Chemistry Reviews Abbreviated Journal Coordin Chem Rev
Volume 430 Issue Pages 213655
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Metal-organic frameworks (MOFs) are exciting materials due to their extensive applicability in a multitude of modern technological fields. Their most prominent characteristic and primary origin of their widespread success is the exceptional variety of their structures, which we termed 'reticular diversity'. Naturally, the ever-emerging applications of MOFs made it increasingly common that researchers from various areas delve into reticular chemistry to overcome their scientific challenges. This confers a crucial role to comprehensive overviews capable of providing newcomers with the knowledge of the state of the art, as well as with the key physics and chemistry considerations needed to design MOFs for a specific application. In this review, we commit to this purpose by outlining the fundamental understanding needed to carefully navigate MOFs' reticular diversity in their main fields of application, namely hostguest chemistry, chemical sensing, electronics, photophysics, and catalysis. Such knowledge and a meticulous, open-minded approach to the design of MOFs paves the way for their most innovative and successful applications, and for the global advancement of the research areas they are employed in. (C) 2020 Elsevier B.V. All rights reserved.
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Language Wos 000615299000008 Publication Date 2020-12-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0010-8545 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.324 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 13.324
Call Number (down) UA @ admin @ c:irua:176731 Serial 6715
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Author Bahrami, F.; Hammad, M.; Fivel, M.; Huet, B.; D'Haese, C.; Ding, L.; Nysten, B.; Idrissi, H.; Raskin, J.P.; Pardoen, T.
Title Single layer graphene controlled surface and bulk indentation plasticity in copper Type A1 Journal article
Year 2021 Publication International Journal Of Plasticity Abbreviated Journal Int J Plasticity
Volume 138 Issue Pages 102936
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The impact of graphene reinforcement on the mechanical properties of metals has been a subject of intense investigation over the last decade in surface applications to mitigate the impact of tribological loadings or for strengthening purposes when dispersed into a bulk material. Here, the effect on the plastic indentation response of a single graphene layer grown on copper is analyzed for two configurations: one with graphene at the surface, the other with graphene sandwiched under a 100 nm thick copper cap layer. Nanoindentation under both displacement and load control conditions show both earlier and shorter pop-in excursions compared to systems without graphene. Atomic force microscopy reveals much smoother pile-ups with no slip traces in the presence of a surface graphene layer. The configuration with the intercalated graphene layer appears as an ideal elementary system to address bulk hardening mechanisms by indentation testing. Transmission electron microscopy (TEM) cross-sections below indents show more diffuse and homogeneous dislocation activity in the presence of graphene. 3D dislocation dynamics simulations allow unraveling of the origin of these 3D complex phenomena and prove that the collective dislocation mechanisms are dominantly controlled by the strong back stress caused by the graphene barrier. These results provide a quantitative understanding of the impact of graphene on dislocation mechanisms for both surface and bulk applications, but with an impact that is not as large as anticipated from other studies or general literature claims.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000623869800001 Publication Date 2021-01-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0749-6419 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.702 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 5.702
Call Number (down) UA @ admin @ c:irua:176729 Serial 6735
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Author Maso, L.; Trande, M.; Liberi, S.; Moro, G.; Daems, E.; Linciano, S.; Sobott, F.; Covaceuszach, S.; Cassetta, A.; Fasolato, S.; Moretto, L.M.; De Wael, K.; Cendron, L.; Angelini, A.
Title Unveiling the binding mode of perfluorooctanoic acid to human serum albumin Type A1 Journal article
Year 2021 Publication Protein Science Abbreviated Journal Protein Sci
Volume 30 Issue 4 Pages 830-841
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Perfluorooctanoic acid (PFOA) is a toxic compound that is absorbed and distributed throughout the body by noncovalent binding to serum proteins such as human serum albumin (hSA). Though the interaction between PFOA and hSA has been already assessed using various analytical techniques, a high resolution and detailed analysis of the binding mode is still lacking. We report here the crystal structure of hSA in complex with PFOA and a medium-chain saturated fatty acid (FA). A total of eight distinct binding sites, four occupied by PFOAs and four by FAs, have been identified. In solution binding studies confirmed the 4:1 PFOA-hSA stoichiometry and revealed the presence of one high and three low affinity binding sites. Competition experiments with known hSA-binding drugs allowed locating the high affinity binding site in sub-domain IIIA. The elucidation of the molecular basis of the interaction between PFOA and hSA might provide not only a better assessment of the absorption and elimination mechanisms of these compounds in vivo but also have implications for the development of novel molecular receptors for diagnostic and biotechnological applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000625392600001 Publication Date 2021-02-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0961-8368 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.523 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 2.523
Call Number (down) UA @ admin @ c:irua:176725 Serial 8714
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Author Wu, L.; Kolmeijer, K.E.; Zhang, Y.; An, H.; Arnouts, S.; Bals, S.; Altantzis, T.; Hofmann, J.P.; Costa Figueiredo, M.; Hensen, E.J.M.; Weckhuysen, B.M.; van der Stam, W.
Title Stabilization effects in binary colloidal Cu and Ag nanoparticle electrodes under electrochemical CO₂ reduction conditions Type A1 Journal article
Year 2021 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 13 Issue 9 Pages 4835-4844
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
Abstract Nanoparticle modified electrodes constitute an attractive way to tailor-make efficient carbon dioxide (CO2) reduction catalysts. However, the restructuring and sintering processes of nanoparticles under electrochemical reaction conditions not only impedes the widespread application of nanoparticle catalysts, but also misleads the interpretation of the selectivity of the nanocatalysts. Here, we colloidally synthesized metallic copper (Cu) and silver (Ag) nanoparticles with a narrow size distribution (<10%) and utilized them in electrochemical CO2 reduction reactions. Monometallic Cu and Ag nanoparticle electrodes showed severe nanoparticle sintering already at low overpotential of -0.8 V vs. RHE, as evidenced by ex situ SEM investigations, and potential-dependent variations in product selectivity that resemble bulk Cu (14% for ethylene at -1.3 V vs. RHE) and Ag (69% for carbon monoxide at -1.0 V vs. RHE). However, by co-deposition of Cu and Ag nanoparticles, a nanoparticle stabilization effect was observed between Cu and Ag, and the sintering process was greatly suppressed at CO2 reducing potentials (-0.8 V vs. RHE). Furthermore, by varying the Cu/Ag nanoparticle ratio, the CO2 reduction reaction (CO2RR) selectivity towards methane (maximum of 20.6% for dense Cu-2.5-Ag-1 electrodes) and C-2 products (maximum of 15.7% for dense Cu-1-Ag-1 electrodes) can be tuned, which is attributed to a synergistic effect between neighbouring Ag and Cu nanoparticles. We attribute the stabilization of the nanoparticles to the positive enthalpies of Cu-Ag solid solutions, which prevents the dissolution-redeposition induced particle growth under CO2RR conditions. The observed nanoparticle stabilization effect enables the design and fabrication of active CO2 reduction nanocatalysts with high durability.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000628024200011 Publication Date 2021-02-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 24 Open Access OpenAccess
Notes This work is funded by the Strategic UU-TU/e Alliance project ‘Joint Centre for Chemergy Research’ (budget holder B. M. W.). S. B. acknowledges support from the European Research Council (ERC Consolidator Grant #815128 REALNANO). S. A. and T. A. acknowledge funding from the University of Antwerp Research fund (BOF). We thank Eric Hellebrand (Faculty of Geosciences, Utrecht University) for the assistance in SEM measurements. Dr Ramon Oord (ARC Chemical Building Blocks Consortium, Faculty of Science, Utrecht University) is acknowledged for assisting with the grazing incidence XRD measurements; sygma Approved Most recent IF: 7.367
Call Number (down) UA @ admin @ c:irua:176723 Serial 6737
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Author Bigiani, L.; Barreca, D.; Gasparotto, A.; Andreu, T.; Verbeeck, J.; Sada, C.; Modin, E.; Lebedev, O.I.; Morante, J.R.; Maccato, C.
Title Selective anodes for seawater splitting via functionalization of manganese oxides by a plasma-assisted process Type A1 Journal article
Year 2021 Publication Applied Catalysis B-Environmental Abbreviated Journal Appl Catal B-Environ
Volume 284 Issue Pages 119684
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The electrolysis of seawater, a significantly more abundant natural reservoir than freshwater, stands as a promising alternative for sustainable hydrogen production, provided that the competitive chloride electro-oxidation is minimized. Herein, we propose an original material combination to selectively trigger oxygen evolution from seawater at expenses of chlorine generation. The target systems, based on MnO2 or Mn2O3 decorated with Fe2O3 or Co3O4, are fabricated by plasma enhanced-chemical vapor deposition of manganese oxides, functionalization with Fe2O3 and Co3O4 by sputtering, and annealing in air/Ar to obtain Mn(IV)/Mn(III) oxides. Among the various options, MnO2 decorated with Co3O4 yields the best performances in alkaline seawater splitting, with an outstanding Tafel slope of approximate to 40 mV x dec(-1) and an overpotential of 450 mV, enabling to rule out chlorine evolution. These attractive performances, resulting from the synergistic contribution of catalytic and electronic effects, open the door to low-cost hydrogen generation from seawater under real-world conditions, paving the way to eventual large-scale applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000623591500008 Publication Date 2020-11-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0926-3373 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.446 Times cited 67 Open Access OpenAccess
Notes The authors thank Padova University (DOR 2017–2020 and P-DiSC #03BIRD2018-UNIPD OXYGENA projects), as well as the INSTM Consortium (INSTMPD004 – NETTUNO project) and AMGA Foundation (Mn4Energy project), for financial support. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. J.V. acknowledges funding from a GOA project 'Solarpaint' (University of Antwerp) and from the EU-H2020 programme (grant agreement No. 823717 – ESTEEM3). J.R.M. and T.A. acknowledge Generalitat de Catalunya for financial support through the CERCA Programme, 27 M2E (2017SGR1246) and by ERDEF-MINECO coordinated projects ENE2017-85087-C3 and ENE2016-80788-C5-5-R. Thanks are also due to Proff. Gloria Tabacchi and Ettore Fois (Department of Science and High Technology, Insubria University, Como, Italy) for valuable discussions and support. Dr. Daniele Valbusa, Dr. Gianluca Corrò, Dr. Andrea Gallo and Dr. Dileep Khrishnan are gratefully acknowledged for helpful technical assistance. Approved Most recent IF: 9.446
Call Number (down) UA @ admin @ c:irua:176718 Serial 6733
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Author Greboval, C.; Chu, A.; Vale Magalhaes, D.; Ramade, J.; Qu, J.; Rastogi, P.; Khalili, A.; Chee, S.-S.; Aubin, H.; Vincent, G.; Bals, S.; Delerue, C.; Lhuillier, E.
Title Ferroelectric gating of narrow band-gap nanocrystal arrays with enhanced light-matter coupling Type A1 Journal article
Year 2021 Publication Acs Photonics Abbreviated Journal Acs Photonics
Volume 8 Issue 1 Pages 259-268
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract As narrow band gap nanocrystals become a considerable building block for the design of infrared sensors, device design needs to match their actual operating conditions. While in the near and shortwave infrared, room-temperature operation has been demonstrated, longer wavelengths still require low-temperature operations and thus specific design. Here, we discuss how field-effect transistors (FETs) can be compatible with low-temperature detection. To reach this goal, two key developments are proposed. First, we report the gating of nanocrystal films from SrTiO3 which leads to high gate capacitance with leakage and breakdown free operation in the 4-100 K range. Second, we demonstrate that this FET is compatible with a plasmonic resonator whose role is to achieve strong light absorption from a thin film used as the channel of the FET. Combining three resonances, broadband absorption from 1.5 to 3 mu m reaching 30% is demonstrated. Finally, combining gate and enhanced light-matter coupling, we show that detectivity can be as high as 10(12) Jones for a device presenting a 3 mu m cutoff wavelength and 30 K operation.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000612567900028 Publication Date 2021-01-10
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 21 Open Access OpenAccess
Notes The project is supported by ERC Starting Grant BlackQD (Grant No. 756225) and Consolidator Grant Realnano (815128). This project has received funding from the European Commission (Grant 731019, EUSMI). We acknowledge the use of clean-room facilities from the “Centrale de ProximitéParis-Centre”. This work has been supported by the Region Ile-de-France in the framework of DIM Nano-K (Grant dopQD). This work was supported by French state funds managed by the ANR within the Investissements d’Avenir programme under Reference ANR-11-IDEX-0004-02 and, more specifically, within the framework of the Cluster of Excellence MATISSE and also by the Grant IPER-Nano2 (ANR-18CE30-0023-01), Copin (ANR-19-CE24-0022), Frontal (ANR-19-CE09-0017), Graskop (ANR-19-CE09-0026), and NITQuantum. J.Q. thanks Chinese Scholarship Council for Ph.D. Grant, while A.C. thanks Agence Innovation Defense.; sygma Approved Most recent IF: 6.756
Call Number (down) UA @ admin @ c:irua:176708 Serial 6725
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Author Samaee, V.; Dupraz, M.; Pardoen, T.; VAn Swygenhoven, H.; Schryvers, D.; Idrissi, H.
Title Deciphering the interactions between single arm dislocation sources and coherent twin boundary in nickel bi-crystal Type A1 Journal article
Year 2021 Publication Nature Communications Abbreviated Journal Nat Commun
Volume 12 Issue 1 Pages 962
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The introduction of a well-controlled population of coherent twin boundaries (CTBs) is an attractive route to improve the strength ductility product in face centered cubic (FCC) metals. However, the elementary mechanisms controlling the interaction between single arm dislocation sources (SASs), often present in nanotwinned FCC metals, and CTB are still not well understood. Here, quantitative in-situ transmission electron microscopy (TEM) observations of these mechanisms under tensile loading are performed on submicron Ni bi-crystal. We report that the absorption of curved screw dislocations at the CTB leads to the formation of constriction nodes connecting pairs of twinning dislocations at the CTB plane in agreement with large scale 3D atomistic simulations. The coordinated motion of the twinning dislocation pairs due to the presence of the nodes leads to a unique CTB sliding mechanism, which plays an important role in initiating the fracture process at a CTB ledge. TEM observations of the interactions between non-screw dislocations and the CTB highlight the importance of the synergy between the repulsive force of the CTB and the back stress from SASs when the interactions occur in small volumes. Interactions of dislocations with coherent twin boundaries contribute to strength and ductility in metals, but investigating the interaction mechanisms is challenging. Here the authors unravel these mechanisms through quantitative in-situ transmission electron microscopy observations in nickel bi-crystal samples under tensile loading.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000620142700024 Publication Date 2021-02-11
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 12.124 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 12.124
Call Number (down) UA @ admin @ c:irua:176680 Serial 6722
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Author Demiroglu, I.; Sevik, C.
Title Extraordinary negative thermal expansion of two-dimensional nitrides : a comparative ab initio study of quasiharmonic approximation and molecular dynamics simulations Type A1 Journal article
Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 103 Issue 8 Pages 085430
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Thermal expansion behavior of two-dimensional (2D) nitrides and graphene were studied by ab initio molecular dynamics (MD) simulations as well as quasiharmonic approximation (QHA). Anharmonicity of the acoustic phonon modes are related to the unusual negative thermal expansion (NTE) behavior of the nitrides. Our results also hint that direct ab initio MD simulations are a more elaborate method to investigate thermal expansion behavior of 2D materials than the QHA. Nevertheless, giant NTE coefficients are found for h-GaN and h-AlN within the covered temperature range 100-600 K regardless of the chosen computational method. This unusual NTE of 2D nitrides is reasoned with the out-of-plane oscillations related to the rippling behavior of the monolayers.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000620346100007 Publication Date 2021-02-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.836
Call Number (down) UA @ admin @ c:irua:176671 Serial 7956
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Author Herzog, M.J.; Gauquelin, N.; Esken, D.; Verbeeck, J.; Janek, J.
Title Facile dry coating method of high-nickel cathode material by nanostructured fumed alumina (Al2O3) improving the performance of lithium-ion batteries Type A1 Journal article
Year 2021 Publication Energy technology Abbreviated Journal
Volume 9 Issue 4 Pages 2100028
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Surface coating is a crucial method to mitigate the aging problem of high-Ni cathode active materials (CAMs). By avoiding the direct contact of the CAM and the electrolyte, side reactions are hindered. Commonly used techniques like wet or ALD coating are time consuming and costly. Therefore, a more cost-effective coating technique is desirable. Herein, a facile and fast dry powder coating process for CAMs with nanostructured fumed metal oxides are reported. As the model case, the coating of high-Ni NMC (LiNi0.7Mn0.15Co0.15O2) by nanostructured fumed Al2O3 is investigated. A high coverage of the CAM surface with an almost continuous coating layer is achieved, still showing some porosity. Electrochemical evaluation shows a significant increase in capacity retention, cycle life and rate performance of the coated NMC material. The coating layer protects the surface of the CAM successfully and prevents side reactions, resulting in reduced solid electrolyte interface (SEI) formation and charge transfer impedance during cycling. A mechanism on how the coating layer enhances the cycling performance is hypothesized. The stable coating layer effectively prevents crack formation and particle disintegration of the NMC. In depth analysis indicates partial formation of LixAl2O3/LiAlO2 in the coating layer during cycling, enhancing lithium ion diffusivity and thus, also the rate performance.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000621000700001 Publication Date 2021-01-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2194-4296; 2194-4288 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 25 Open Access OpenAccess
Notes The authors would like to thank Erik Peldszus and Steve Rienecker for the support with scanning electron microscopy and X-ray photoelectron spectroscopy analysis. The Qu-Ant-EM microscope and the direct electron detector were partly funded by the Hercules fund from the Flemish Government. N.G. and J.V. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp. Funding from the Flemish Research Fund (FWO) project G0F1320N is acknowledged.; Open access funding enabled and organized by Projekt DEAL. Approved Most recent IF: NA
Call Number (down) UA @ admin @ c:irua:176670 Serial 6724
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Author Hendrickx, M.; Tang, Y.; Hunter, E.C.; Battle, P.D.; Hadermann, J.
Title Structural and magnetic properties of the perovskites A₂LaFe₂SbO₉ (A = Ca, Sr, Ba) Type A1 Journal article
Year 2021 Publication Journal Of Solid State Chemistry Abbreviated Journal J Solid State Chem
Volume 295 Issue Pages 121914
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Polycrystalline samples of A(2)LaFe(2)SbO(9) (A = Ca, Sr, Ba) perovskites appeared monophasic to X-ray or neutron powder diffraction but a single-crystal study utilising transmission electron microscopy revealed a greater level of complexity. Although local charge balance is maintained, compositional and structural variations are present among and within the submicron-sized crystals. Despite the inhomogeneity, A = Ca is monophasic with a partially-ordered distribution of Fe3+ and Sb5+ cations across two crystallographically-distinct octahedral sites, i.e. Ca2La(Fe1.25Sb0.25)(2d) (Fe0.75Sb0.75)(2c)O-9. For A = Sr or Ba, the inhomogeneities result in differences in the filling patterns of the octahedra and the ordering of the B cations. Particles of A = Sr contain a phase (Fe:Sb similar to 2:1) without B cation ordering and one (Fe:Sb similar to 1:1) with B cation ordering. Monophasic A = Ba lacks long-range cation order although ordered nanodomains are present within the disordered phase. The temperature dependence of the magnetic properties of each sample is discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000615711800013 Publication Date 2020-12-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.299 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.299
Call Number (down) UA @ admin @ c:irua:176663 Serial 6739
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Author Samae, V.; Cordier, P.; Demouchy, S.; Bollinger, C.; Gasc, J.; Koizumi, S.; Mussi, A.; Schryvers, D.; Idrissi, H.
Title Stress-induced amorphization triggers deformation in the lithospheric mantle Type A1 Journal article
Year 2021 Publication Nature Abbreviated Journal Nature
Volume 591 Issue 7848 Pages 82-86
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The mechanical properties of olivine-rich rocks are key to determining the mechanical coupling between Earth's lithosphere and asthenosphere. In crystalline materials, the motion of crystal defects is fundamental to plastic flow(1-4.) However, because the main constituent of olivine-rich rocks does not have enough slip systems, additional deformation mechanisms are needed to satisfy strain conditions. Experimental studies have suggested a non-Newtonian, grain-size-sensitive mechanism in olivine involving grain-boundary sliding(5,6). However, very few microstructural investigations have been conducted on grain-boundary sliding, and there is no consensus on whether a single or multiple physical mechanisms are at play. Most importantly, there are no theoretical frameworks for incorporating the mechanics of grain boundaries in polycrystalline plasticity models. Here we identify a mechanism for deformation at grain boundaries in olivine-rich rocks. We show that, in forsterite, amorphization takes place at grain boundaries under stress and that the onset of ductility of olivine-rich rocks is due to the activation of grain-boundary mobility in these amorphous layers. This mechanism could trigger plastic processes in the deep Earth, where high-stress conditions are encountered (for example, at the brittle-plastic transition). Our proposed mechanism is especially relevant at the lithosphere-asthenosphere boundary, where olivine reaches the glass transition temperature, triggering a decrease in its viscosity and thus promoting grain-boundary sliding.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000626921700014 Publication Date 2021-03-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0028-0836 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 40.137 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 40.137
Call Number (down) UA @ admin @ c:irua:176656 Serial 6738
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Author Li, C.-F.; Zhao, K.; Liao, X.; Hu, Z.-Y.; Zhang, L.; Zhao, Y.; Mu, S.; Li, Y.; Li, Y.; Van Tendeloo, G.; Sun, C.
Title Interface cation migration kinetics induced oxygen release heterogeneity in layered lithium cathodes Type A1 Journal article
Year 2021 Publication Energy Storage Materials Abbreviated Journal
Volume 36 Issue Pages 115-122
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The irreversible release of the lattice oxygen in layered cathodes is one of the major degradation mechanisms of lithium ion batteries, which accounts for a number of battery failures including the voltage/capacity fade, loss of cation ions and detachment of the primary particles, etc. Oxygen release is generally attributed to the stepwise thermodynamic controlled phase transitions from the layered to spinel and rock salt phases. Here, we report a strong kinetic effect from the mobility of cation ions, whose migration barrier can be significantly modulated by the phase epitaxy at the degrading interface. It ends up with a clear oxygen release heterogeneity and completely different reaction pathways between the thin and thick areas, as well as the interparticle valence boundaries, both of which widely exist in the mainstream cathode design with the secondary agglomerates. This work unveils the origin of the heterogenous oxygen release in the layered cathodes. It also sheds light on the rational design of cathode materials with enhanced oxygen stability by suppressing the cation migration.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000620584300009 Publication Date 2020-12-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number (down) UA @ admin @ c:irua:176654 Serial 6730
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Author Bafekry, A.; Shahrokhi, M.; Shafique, A.; Jappor, H.R.; Shojaei, F.; Feghhi, S.A.H.; Ghergherehchi, M.; Gogova, D.
Title Two-dimensional carbon nitride C₆N nanosheet with egg-comb-like structure and electronic properties of a semimetal Type A1 Journal article
Year 2021 Publication Nanotechnology Abbreviated Journal Nanotechnology
Volume 32 Issue 21 Pages 215702
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract In this study, the structural, electronic and optical properties of theoretically predicted C6N monolayer structure are investigated by means of Density Functional Theory-based First-Principles Calculations. Phonon band dispersion calculations and molecular dynamics simulations reveal the dynamical and thermal stability of the C6N single-layer structure. We found out that the C6N monolayer has large negative in-plane Poisson's ratios along both X and Y direction and the both values are almost four times that of the famous-pentagraphene. The electronic structure shows that C6N monolayer is a semi-metal and has a Dirac-point in the BZ. The optical analysis using the random phase approximation method constructed over HSE06 illustrates that the first peak of absorption coefficient of the C6N monolayer along all polarizations is located in the IR range of spectrum, while the second absorption peak occurs in the visible range, which suggests its potential applications in optical and electronic devices. Interestingly, optically anisotropic character of this system is highly desirable for the design of polarization-sensitive photodetectors. Thermoelectric properties such as Seebeck coefficient, electrical conductivity, electronic thermal conductivity and power factor are investigated as a function of carrier doping at temperatures 300, 400, and 500 K. In general, we predict that the C6N monolayer could be a new platform for study of novel physical properties in two-dimensional semi-metal materials, which may provide new opportunities to realize high-speed low-dissipation devices.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000624531500001 Publication Date 2020-12-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.44 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.44
Call Number (down) UA @ admin @ c:irua:176648 Serial 6740
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Author Yin, L.; Juneja, R.; Lindsay, L.; Pandey, T.; Parker, D.S.
Title Semihard iron-based permanent-magnet materials Type A1 Journal article
Year 2021 Publication Physical Review Applied Abbreviated Journal Phys Rev Appl
Volume 15 Issue 2 Pages 024012
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Permanent magnets generally require a favorable, but difficult-to-achieve combination of high magnetization, Curie point, and magnetic anisotropy. Thus there have been few, if any, viable permanent magnets developed since the 1982 discovery of Nd2Fe14B [M. Sagawa, S. Fujimura, H. Yamamoto, Y. Matsuura, and S. Hirosawa, J. Appl. Phys. 57, 4094 (1985)]. Here we point out, both by direct first-principles calculations on the iron carbides and silicides Fe5C2, Fe5SiC, and Fe7C3 as well as a discussion of recent experimental findings, that there are numerous rare-earth-free iron-rich potential permanent-magnet materials with sufficient intrinsic magnetic properties to reasonably achieve room-temperature energy products of 20-25 MG Oe. This is substantially better than the performance of the best available rare-earth-free magnets based on ferrite, as well as shape-anisotropy-employing alnico. These magnets could plausibly fill, at low cost, the present performance “gap” [J. M. D. Coey, Scr. Mater. 67, 524 (2012)] between the best rare-earth-free magnets and rare-earth magnets such as Nd2Fe14B and Sm-Co.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000614707800002 Publication Date 2021-02-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2331-7019 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.808 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 4.808
Call Number (down) UA @ admin @ c:irua:176624 Serial 6734
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Author Xia, C.; Pedrazo-Tardajos, A.; Wang, D.; Meeldijk, J.D.; Gerritsen, H.C.; Bals, S.; de Donega, C.M.
Title Seeded growth combined with cation exchange for the synthesis of anisotropic Cu2-xS/ZnS, Cu2-xS, and CuInS2 nanorods Type A1 Journal article
Year 2021 Publication Chemistry of materials Abbreviated Journal
Volume 33 Issue 1 Pages 102-116
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Colloidal copper(I) sulfide (Cu2-xS) nanocrystals (NCs) have attracted much attention for a wide range of applications because of their unique optoelectronic properties, driving scientists to explore the potential of using Cu2-xS NCs as seeds in the synthesis of heteronanocrystals to achieve new multifunctional materials. Herein, we developed a multistep synthesis strategy toward Cu2-xS/ZnS heteronanorods. The Janus-type Cu2-xS/ZnS heteronanorods are obtained by the injection of hexagonal high-chalcocite Cu2-xS seed NCs in a hot zinc oleate solution in the presence of suitable surfactants, 20 s after the injection of sulfur precursors. The Cu2-xS seed NCs undergo rapid aggregation and coalescence in the first few seconds after the injection, forming larger NCs that act as the effective seeds for heteronucleation and growth of ZnS. The ZnS heteronucleation occurs on a single (100) facet of the Cu2-xS seed NCs and is followed by fast anisotropic growth along a direction that is perpendicular to the c-axis, thus leading to Cu2-xS/ZnS Janus-type heteronanorods with a sharp heterointerface. Interestingly, the high-chalcocite crystal structure of the injected Cu2-xS seed NCs is preserved in the Cu2-xS segments of the heteronanorods because of the highthermodynamic stability of this Cu2-xS phase. The Cu2-xS/ZnS heteronanorods are subsequently converted into single-component Cu2-xS and CuInS2 nanorods by postsynthetic topotactic cation exchange. This work expands the possibilities for the rational synthesis of colloidal multicomponent heteronanorods by allowing the design principles of postsynthetic heteroepitaxial seeded growth and nanoscale cation exchange to be combined, yielding access to a plethora of multicomponent heteronanorods with diameters in the quantum confinement regime.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000610984700009 Publication Date 2020-12-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 10 Open Access OpenAccess
Notes C.X. acknowledges China Scholarship Council (CSC) for the financial support (grant number 201406330055). C.d.M.D. acknowledges funding from the European Commission for access to the EMAT facilities (grant number EUSMI E180900184). D.W. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in Horizon 2020 program (grant 894254 SuprAtom). S.B. acknowledges support by means of the ERC Consolidator grant no. 815128 REALNANO. The authors thank Donglong Fu for XRD measurements.; sygma Approved Most recent IF: NA
Call Number (down) UA @ admin @ c:irua:176587 Serial 6732
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Author Wang, J.; Van Pottelberge, R.; Jacobs, A.; Van Duppen, B.; Peeters, F.M.
Title Confinement and edge effects on atomic collapse in graphene nanoribbons Type A1 Journal article
Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 103 Issue 3 Pages 035426
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Atomic collapse in graphene nanoribbons behaves in a fundamentally different way as compared to monolayer graphene due to the presence of multiple energy bands and the effect of edges. For armchair nanoribbons we find that bound states gradually transform into atomic collapse states with increasing impurity charge. This is very different in zigzag nanoribbons where multiple quasi-one-dimensional bound states are found that originates from the zero-energy zigzag edge states. They are a consequence of the flat band and the electron distribution of these bound states exhibits two peaks. The lowest-energy edge state transforms from a bound state into an atomic collapse resonance and shows a distinct relocalization from the edge to the impurity position with increasing impurity charge.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000610779200008 Publication Date 2021-01-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 8 Open Access OpenAccess
Notes Approved Most recent IF: 3.836
Call Number (down) UA @ admin @ c:irua:176585 Serial 6719
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