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| Author | Delfino, C.L.; Hao, Y.; Martin, C.; Minoia, A.; Gopi, E.; Mali, K.S.; Van der Auweraer, M.; Geerts, Y.H.; Van Aert, S.; Lazzaroni, R.; De Feyter, S. | ||||
| Title | Conformation-Dependent Monolayer and Bilayer Structures of an Alkylated TTF Derivative Revealed using STM and Molecular Modeling | Type | A1 Journal Article | ||
| Year | 2023 | Publication | The Journal of Physical Chemistry C | Abbreviated Journal | J. Phys. Chem. C |
| Volume | 127 | Issue | 47 | Pages | 23023-23033 |
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | In this study, the multi-layer self-assembled molecular network formation of an alkylated tetrathiafulvalene compound is studied at the liquid-solid interface between 1-phenyloctane and graphite. A combined theoretical/experimental approach associating force-field and quantum-chemical calculations with scanning tunnelling microscopy is used to determine the two-dimensional self-assembly beyond the monolayer, but also to further the understanding of the molecular adsorption conformation and its impact on the molecular packing within the assemblies at the monolayer and bilayer level. | ||||
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| Language | Wos | 001111637100001 | Publication Date | 2023-11-30 | |
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| ISSN | 1932-7447 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 3.7 | Times cited | Open Access | OpenAccess | |
| Notes | Financial support from the Research Foundation-Flanders (FWO G081518N, G0A3220N) and KU Leuven–Internal Funds (C14/19/079) is acknowledged. This work was in part supported by FWO and F. R. S.-FNRS under the Excellence of Science EOS program (project 30489208 and 40007495). C.M. acknowledges the financial support: Grants PID2021-128761OA-C22 and CNS2022-136052 funded by MCIN/AEI/10.13039/501100011033 by the “European Union” and SBPLY/21/180501/000127 funded by JCCM and by the EU through “Fondo Europeo de Desarollo Regional” (FEDER). Research in Mons is also supported by the Belgian National Fund for Scientific Research (FRS-FNRS) within the Consortium des Équipements de Calcul Intensif – CÉCI, under Grant 2.5020.11, and by the Walloon Region (ZENOBE Tier-1 supercomputer, under grant 1117545). | Approved | Most recent IF: 3.7; 2023 IF: 4.536 | ||
| Call Number | EMAT @ emat @c:irua:201671 | Serial | 8974 | ||
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| Author | Kavak, S.; Kadu, A.A.; Claes, N.; Sánchez-Iglesias, A.; Liz-Marzán, L.M.; Batenburg, K.J.; Bals, S. | ||||
| Title | Quantitative 3D Investigation of Nanoparticle Assemblies by Volumetric Segmentation of Electron Tomography Data Sets | Type | A1 Journal article | ||
| Year | 2023 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | |
| Volume | 127 | Issue | 20 | Pages | 9725-9734 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Morphological characterization of nanoparticle assemblies and hybrid nanomaterials is critical in determining their structure-property relationships as well as in the development of structures with desired properties. Electron tomography has become a widely utilized technique for the three-dimensional characterization of nanoparticle assemblies. However, the extraction of quantitative morphological parameters from the reconstructed volume can be a complex and labor-intensive task. In this study, we aim to overcome this challenge by automating the volumetric segmentation process applied to three-dimensional reconstructions of nanoparticle assemblies. The key to enabling automated characterization is to assess the performance of different volumetric segmentation methods in accurately extracting predefined quantitative descriptors for morphological characterization. In our methodology, we compare the quantitative descriptors obtained through manual segmentation with those obtained through automated segmentation methods, to evaluate their accuracy and effectiveness. To show generality, our study focuses on the characterization of assemblies of CdSe/CdS quantum dots, gold nanospheres and CdSe/CdS encapsulated in polymeric micelles, and silica-coated gold nanorods decorated with both CdSe/CdS or PbS quantum dots. We use two unsupervised segmentation algorithms: the watershed transform and the spherical Hough transform. Our results demonstrate that the choice of automated segmentation method is crucial for accurately extracting the predefined quantitative descriptors. Specifically, the spherical Hough transform exhibits superior performance in accurately extracting quantitative descriptors, such as particle size and interparticle distance, thereby allowing for an objective, efficient, and reliable volumetric segmentation of complex nanoparticle assemblies. | ||||
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| Language | Wos | 000991752700001 | Publication Date | 2023-05-25 | |
| 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 | 2 | Open Access | OpenAccess |
| Notes | Fonds Wetenschappelijk Onderzoek, 1181122N ; Horizon 2020 Framework Programme, 861950 ; H2020 European Research Council, 815128 ; | Approved | Most recent IF: 3.7; 2023 IF: 4.536 | ||
| Call Number | EMAT @ emat @c:irua:196971 | Serial | 8793 | ||
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| Author | Tchakoua, T.; Powell, A.D.; Gerrits, N.; Somers, M.F.; Doblhoff-Dier, K.; Busnengo, H.F.; Kroes, G.-J. | ||||
| Title | Simulating highly activated sticking of H₂ on Al(110) : quantum versus quasi-classical dynamics | Type | A1 Journal article | ||
| Year | 2023 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | |
| Volume | 127 | Issue | 11 | Pages | 5395-5407 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | We evaluate the importance of quantum effects on the sticking of H2 on Al(110) for conditions that are close to those of molecular beam experiments that have been done on this system. Calculations with the quasi-classical trajectory (QCT) method and with quantum dynamics (QD) are performed using a model in which only motion in the six molecular degrees of freedom is allowed. The potential energy surface used has a minimum barrier height close to the value recently obtained with the quantum Monte Carlo method. Monte Carlo averaging over the initial rovibrational states allowed the QD calculations to be done with an order of magnitude smaller computational expense. The sticking probability curve computed with QD is shifted to lower energies relative to the QCT curve by 0.21 to 0.05 kcal/mol, with the highest shift obtained for the lowest incidence energy. Quantum effects are therefore expected to play a small role in calculations that would evaluate the accuracy of electronic structure methods for determining the minimum barrier height to dissociative chemisorption for H2 + Al(110) on the basis of the standard procedure for comparing results of theory with molecular beam experiments. | ||||
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| Language | Wos | 000971346700001 | Publication Date | 2023-03-14 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 1932-7447; 1932-7455 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.7 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 3.7; 2023 IF: 4.536 | |||
| Call Number | UA @ admin @ c:irua:196071 | Serial | 8525 | ||
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| Author | Tchakoua, T.; Gerrits, N.; Smeets, E.W.F.; Kroes, G.-J. | ||||
| Title | SBH17 : benchmark database of barrier heights for dissociative chemisorption on transition metal surfaces | Type | A1 Journal article | ||
| Year | 2023 | Publication | Journal of chemical theory and computation | Abbreviated Journal | |
| Volume | 19 | Issue | 1 | Pages | 245-270 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Accurate barriers for rate controlling elementary reactions on metal surfaces are key to understanding, controlling, and predicting the rate of heterogeneously catalyzed processes. While barrier heights for gas phase reactions have been extensively benchmarked, dissociative chemisorption barriers for the reactions of molecules on metal surfaces have received much less attention. The first database called SBH10 and containing 10 entries was recently constructed based on the specific reaction parameter approach to density functional theory (SRP-DFT) and experimental results. We have now constructed a new and improved database (SBH17) containing 17 entries based on SRP-DFT and experiments. For this new SBH17 benchmark study, we have tested three algorithms (high, medium, and light) for calculating barrier heights for dissociative chemisorption on metals, which we have named for the amount of computational effort involved in their use. We test the performance of 14 density functionals at the GGA, GGA+vdW-DF, and meta-GGA rungs. Our results show that, in contrast with the previous SBH10 study where the BEEF-vdW-DF2 functional seemed to be most accurate, the workhorse functional PBE and the MS2 density functional are the most accurate of the GGA and meta-GGA functionals tested. Of the GGA+vdW functionals tested, the SRP32-vdW-DF1 functional is the most accurate. Additionally, we found that the medium algorithm is accurate enough for assessing the performance of the density functionals tested, while it avoids geometry optimizations of minimum barrier geometries for each density functional tested. The medium algorithm does require metal lattice constants and interlayer distances that are optimized separately for each functional. While these are avoided in the light algorithm, this algorithm is found not to give a reliable description of functional performance. The combination of relative ease of use and demonstrated reliability of the medium algorithm will likely pave the way for incorporation of the SBH17 database in larger databases used for testing new density functionals and electronic structure methods. | ||||
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| Language | Wos | 000903286100001 | Publication Date | 2022-12-19 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 1549-9618 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.5 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 5.5; 2023 IF: 5.245 | |||
| Call Number | UA @ admin @ c:irua:193426 | Serial | 7274 | ||
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| Author | Byrnes, I.; Rossbach, L.M.; Jaroszewicz, J.; Grolimund, D.; Sanchez, D.F.; Gomez-Gonzalez, M.A.; Nuyts, G.; Reinoso-Maset, E.; Janssens, K.; Salbu, B.; Brede, D.A.; Lind, O.C. | ||||
| Title | Synchrotron XRF and histological analyses identify damage to digestive tract of uranium NP-exposed Daphnia magna | Type | A1 Journal article | ||
| Year | 2023 | Publication | Environmental science and technology | Abbreviated Journal | |
| Volume | 57 | Issue | 2 | Pages | 1071-1079 |
| Keywords | A1 Journal article; Antwerp X-ray Imaging and Spectroscopy (AXIS) | ||||
| Abstract | Micro-and nanoscopic X-ray techniques were used to investigate the relationship between uranium (U) tissue distributions and adverse effects to the digestive tract of aquatic model organism Daphnia magna following uranium nanoparticle (UNP) exposure. X-ray absorption computed tomography measure-ments of intact daphnids exposed to sublethal concentrations of UNPs or a U reference solution (URef) showed adverse morphological changes to the midgut and the hepatic ceca. Histological analyses of exposed organisms revealed a high proportion of abnormal and irregularly shaped intestinal epithelial cells. Disruption of the hepatic ceca and midgut epithelial tissues implied digestive functions and intestinal barriers were compro-mised. Synchrotron-based micro X-ray fluorescence (XRF) elemental mapping identified U co-localized with morphological changes, with substantial accumulation of U in the lumen as well as in the epithelial tissues. Utilizing high-resolution nano-XRF, 400-1000 nm sized U particulates could be identified throughout the midgut and within hepatic ceca cells, coinciding with tissue damages. The results highlight disruption of intestinal function as an important mode of action of acute U toxicity in D. magna and that midgut epithelial cells as well as the hepatic ceca are key target organs. | ||||
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| Language | Wos | 000910915100001 | Publication Date | 2023-01-04 | |
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| ISSN | 0013-936x; 1520-5851 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 11.4 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 11.4; 2023 IF: 6.198 | |||
| Call Number | UA @ admin @ c:irua:193478 | Serial | 7342 | ||
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| Author | Manzaneda-Gonzalez, V.; Jenkinson, K.; Pena-Rodriguez, O.; Borrell-Grueiro, O.; Trivino-Sanchez, S.; Banares, L.; Junquera, E.; Espinosa, A.; Gonzalez-Rubio, G.; Bals, S.; Guerrero-Martinez, A. | ||||
| Title | From multi- to single-hollow trimetallic nanocrystals by ultrafast heating | Type | A1 Journal article | ||
| Year | 2023 | Publication | Chemistry of materials | Abbreviated Journal | |
| Volume | 35 | Issue | 22 | Pages | 9603-9612 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Metal nanocrystals (NCs) display unique physicochemical features that are highly dependent on nanoparticle dimensions, anisotropy, structure, and composition. The development of synthesis methodologies that allow us to tune such parameters finely emerges as crucial for the application of metal NCs in catalysis, optical materials, or biomedicine. Here, we describe a synthetic methodology to fabricate hollow multimetallic heterostructures using a combination of seed-mediated growth routes and femtosecond-pulsed laser irradiation. The envisaged methodology relies on the coreduction of Ag and Pd ions on gold nanorods (Au NRs) to form Au@PdAg core-shell nanostructures containing small cavities at the Au-PdAg interface. The excitation of Au@PdAg NRs with low fluence femtosecond pulses was employed to induce the coalescence and growth of large cavities, forming multihollow anisotropic Au@PdAg nanostructures. Moreover, single-hollow alloy AuPdAg could be achieved in high yield by increasing the irradiation energy. Advanced electron microscopy techniques, energy-dispersive X-ray spectroscopy (EDX) tomography, X-ray absorption near-edge structure (XANES) spectroscopy, and finite differences in the time domain (FDTD) simulations allowed us to characterize the morphology, structure, and elemental distribution of the irradiated NCs in detail. The ability of the reported synthesis route to fabricate multimetallic NCs with unprecedented hollow nanostructures offers attractive prospects for the fabrication of tailored high-entropy alloy nanoparticles. | ||||
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| Language | Wos | 001110623500001 | Publication Date | 2023-11-06 | |
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| ISSN | 0897-4756; 1520-5002 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.6 | Times cited | 2 | Open Access | OpenAccess |
| Notes | Approved | Most recent IF: 8.6; 2023 IF: 9.466 | |||
| Call Number | UA @ admin @ c:irua:202144 | Serial | 9040 | ||
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| Author | Mayda, S.; Monico, L.; Krishnan, D.; De Meyer, S.; Cotte, M.; Garrevoet, J.; Falkenberg, G.; Sandu, I.C.A.; Partoens, B.; Lamoen, D.; Romani, A.; Miliani, C.; Verbeeck, J.; Janssens, K. | ||||
| Title | A combined experimental and computational approach to understanding CdS pigment oxidation in a renowned early 20th century painting | Type | A1 Journal article | ||
| Year | 2023 | Publication | Chemistry of materials | Abbreviated Journal | |
| Volume | 35 | Issue | 24 | Pages | 10403-10415 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Antwerp X-ray Imaging and Spectroscopy (AXIS) | ||||
| Abstract | Cadmium sulfide (CdS)-based yellow pigments have been used in a number of early 20th century artworks, including The Scream series painted by Edvard Munch. Some of these unique paintings are threatened by the discoloration of these CdS-based yellow oil paints because of the oxidation of the original sulfides to sulfates. The experimental data obtained here prove that moisture and cadmium chloride compounds play a key role in promoting such oxidation. To clarify how these two factors effectively prompt the process, we studied the band alignment between CdS, CdCl2, and Cd-(OH)Cl as well as the radicals center dot OH and H3O center dot by density functional theory (DFT) methods. Our results show that a stack of several layers of Cd-(OH)Cl creates a pocket of positive holes at the Cl-terminated surface and a pocket of electrons at the OH-terminated surface by leading in a difference in ionization energy at both surfaces. The resulting band alignment indicates that Cd-(OH)Cl can indeed play the role of an oxidative catalyst for CdS in a moist environment, thus providing an explanation for the experimental evidence. | ||||
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| Language | Wos | 001133000900001 | Publication Date | 2023-12-08 | |
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| ISSN | 0897-4756; 1520-5002 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 8.6 | Times cited | Open Access | ||
| Notes | The experimental research on the cadmium yellow powders/paint mock-ups and The Scream (ca. 1910) was financially supported by the European Union, research projects IPERION-CH (H2020-INFRAIA-2014-2015, GA no. 654028) and IPERION-HS (H2020-INFRAIA-2019-1, GA no. 871034) and the project AMIS within the program Dipartimenti di Eccellenza 2018-2022 (funded by MUR and the University of Perugia). For the beamtime grants received, the authors thank the ESRF-ID21 beamline (experiments HG64 and HG95), the DESY-P06 beamline, a member of the Helmholtz Association HGF (experiments I-20130221 EC and I-20160126 EC), and the project CALIPSOplus under the GA no. 730872 from the E.U. Framework Programme for Research and Innovation Horizon 2020. All of the staff of the MUNCH Museum (Conservation Department) is acknowledged for their collaboration. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO – Vlaanderen and the Flemish Government, Department EWI. | Approved | Most recent IF: 8.6; 2023 IF: 9.466 | ||
| Call Number | UA @ admin @ c:irua:202836 | Serial | 8999 | ||
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| Author | Sa, J.; Hu, N.; Heyvaert, W.; Van Gordon, K.; Li, H.; Wang, L.; Bals, S.; Liz-Marzán, L.M.; Ni, W. | ||||
| Title | Spontaneous Chirality Evolved at the Au–Ag Interface in Plasmonic Nanorods | Type | A1 Journal article | ||
| Year | 2023 | Publication | Chemistry of materials | Abbreviated Journal | Chem. Mater. |
| Volume | Issue | Pages | |||
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Chiral ligands are considered a required ingredient during the synthesis of dissymmetric plasmonic metal nanocrystals. The mechanism behind the generation of chiral structures involves the formation of high Miller index chiral facets, induced by the adsorption of such chiral ligands. We found however that, chirality can also evolve spontaneously, without the involvement of any chiral ligands, during the co-deposition of Au and Ag on Au nanorods. When using a specific Au/Ag ratio, phase segregation of the two metals leads to an interface within the obtained AuAg shell, which can be exposed by removing the Ag component via oxidative etching. Although a close-to-racemic mixture of chiral Au nanorods with right and left handedness is found in solution, electron tomography analysis evidences left- and righthanded helicities, both at the Au-Ag interface and at the exposed surface of Au NRs after Ag etching. The helicity profile of the NRs indicates dominating inclination angles in a range from 30° to 60°. Single-particle optical characterization also reveals random handedness in the plasmonic response of individual nanorods. We hypothesize that, the origin of chirality is related with symmetry breaking during the co-deposition of Au and Ag, through an initial perturbation in a small region on the Au-Ag interface that eventually leads to chiral segregation throughout the nanocrystal. | ||||
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| Language | Wos | 001052093300001 | Publication Date | 2023-08-21 | |
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| ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 8.6 | Times cited | Open Access | OpenAccess | |
| Notes | The authors acknowledge the financial support from the National Natural Science Foundation of China (grant 22074102). LMLM acknowledges funding from 26 MCIN/AEI/10.13039/501100011033 and “ESF Investing in your future” (Grant PID2020- 117779RB-I00). This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 823717 – ESTEEM3.; Ministerio de Ciencia e Innovaci?n, PID2020-117779RB-I00 ; H2020 Research Infrastructures, 823717 ; European Social Fund, PID2020-117779RB-I00 ; National Natural Science Foundation of China, 22074102 ; | Approved | Most recent IF: 8.6; 2023 IF: 9.466 | ||
| Call Number | EMAT @ emat @c:irua:198151 | Serial | 8810 | ||
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| Author | Arenas Esteban, D.; Pacquets, L.; Choukroun, D.; Hoekx, S.; Kadu, A.A.; Schalck, J.; Daems, N.; Breugelmans, T.; Bals, S. | ||||
| Title | 3D characterization of the structural transformation undergone by Cu@Ag core-shell nanoparticles following CO₂ reduction reaction | Type | A1 Journal article | ||
| Year | 2023 | Publication | Chemistry of materials | Abbreviated Journal | |
| Volume | 35 | Issue | 17 | Pages | 6682-6691 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) | ||||
| Abstract | The increasing use of metallic nanoparticles (NPs) is significantly advancing the field of electrocatalysis. In particular, Cu/Ag bimetallic interfaces are widely used to enhance the electrochemical CO2 reduction reaction (eCO(2)RR) toward CO and, more recently, C-2 products. However, drastic changes in the product distribution and performance when Cu@Ag core-shell configurations are used can often be observed under electrochemical reaction conditions, especially during the first few minutes of the reaction. Possible structural changes that generate these observations remain underexplored; therefore, the structure-property relationship is hardly understood. In this study, we use electron tomography to investigate the structural transformation mechanism of Cu@Ag core-shells NPs during the critical first minutes of the eCO(2)RR. In this manner, we found that the crystallinity of the Cu seed determines whether the formation of a complete and homogeneous Ag shell is possible. Moreover, by tracking the particles' transformations, we conclude that modifications of the Cu-Ag interface and Cu2O enrichment at the surface of the NPs are key factors contributing to the product generation changes. These insights provide a better understanding of how bimetallic core-shell NPs transform under electrochemical conditions. | ||||
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| Language | Wos | 001061530700001 | Publication Date | 2023-08-31 | |
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| ISSN | 0897-4756; 1520-5002 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.6 | Times cited | 1 | Open Access | OpenAccess |
| Notes | L.P. was supported through a PhD fellowship for strategicbasic research (1S56920N) of the Research Foundation – Flanders(FWO). S.H. was supported through a PhD fellowship for strategic basicresearch (1S42623N) of the Research Foundation – Flanders (FWO).S.B., D.A.E., and A.A.K. acknowledge financial support from ERC Consolidator Grant Number 815128 REALNANO. This research was financed by the researchcouncil of the University of Antwerp (BOF-GOA 33928). | Approved | Most recent IF: 8.6; 2023 IF: 9.466 | ||
| Call Number | UA @ admin @ c:irua:199187 | Serial | 8825 | ||
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| Author | Mulder, J.T.T.; Jenkinson, K.; Toso, S.; Prato, M.; Evers, W.H.H.; Bals, S.; Manna, L.; Houtepen, A.J.J. | ||||
| Title | Nucleation and growth of bipyramidal Yb:LiYF₄ nanocrystals : growing up in a hot environment | Type | A1 Journal article | ||
| Year | 2023 | Publication | Chemistry of materials | Abbreviated Journal | |
| Volume | 35 | Issue | 14 | Pages | 5311-5321 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Lanthanide-doped LiYF4 (Ln:YLF) is commonlyused fora broad variety of optical applications, such as lasing, photon upconversionand optical refrigeration. When synthesized as nanocrystals (NCs),this material is also of interest for biological applications andfundamental physical studies. Until now, it was unclear how Ln:YLFNCs grow from their ionic precursors into tetragonal NCs with a well-defined,bipyramidal shape and uniform dopant distribution. Here, we studythe nucleation and growth of ytterbium-doped LiYF4 (Yb:YLF),as a template for general Ln:YLF NC syntheses. We show that the formationof bipyramidal Yb:YLF NCs is a multistep process starting with theformation of amorphous Yb:YLF spheres. Over time, these spheres growvia Ostwald ripening and crystallize, resulting in bipyramidal Yb:YLFNCs. We further show that prolonged heating of the NCs results inthe degradation of the NCs, observed by the presence of large LiFcubes and small, irregular Yb:YLF NCs. Due to the similarity in chemicalnature of all lanthanide ions our work sheds light on the formationstages of Ln:YLF NCs in general. | ||||
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| Language | Wos | 001021474500001 | Publication Date | 2023-07-03 | |
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| ISSN | 0897-4756; 1520-5002 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 8.6 | Times cited | Open Access | OpenAccess | |
| Notes | This project has received funding from the European Union's Horizon 2020 research and innovation program under Grant Agreement No. 766900 (Testing the large-scale limit of quantum mechanics). The authors thank Niranjan Saikumar for proof reading the manuscript. | Approved | Most recent IF: 8.6; 2023 IF: 9.466 | ||
| Call Number | UA @ admin @ c:irua:197787 | Serial | 8907 | ||
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| Author | van der Sluijs, M.M.; Salzmann, B.B.V.; Arenas Esteban, D.; Li, C.; Jannis, D.; Brafine, L.C.; Laning, T.D.; Reinders, J.W.C.; Hijmans, N.S.A.; Moes, J.R.; Verbeeck, J.; Bals, S.; Vanmaekelbergh, D. | ||||
| Title | Study of the Mechanism and Increasing Crystallinity in the Self-Templated Growth of Ultrathin PbS Nanosheets | Type | A1 Journal article | ||
| Year | 2023 | Publication | Chemistry of materials | Abbreviated Journal | |
| Volume | Issue | Pages | |||
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Colloidal 2D semiconductor nanocrystals, the analogue of solid-state quantum wells, have attracted strong interest in material science and physics. Molar quantities of suspended quantum objects with spectrally pure absorption and emission can be synthesized. For the visible region, CdSe nanoplatelets with atomically precise thickness and tailorable emission have been (almost) perfected. For the near-infrared region, PbS nanosheets (NSs) hold strong promise, but the photoluminescence quantum yield is low and many questions on the crystallinity, atomic structure, intriguing rectangular shape, and formation mechanism remain to be answered. Here, we report on a detailed investigation of the PbS NSs prepared with a lead thiocyanate single source precursor. Atomically resolved HAADF-STEM imaging reveals the presence of defects and small cubic domains in the deformed orthorhombic PbS crystal lattice. Moreover, variations in thickness are observed in the NSs, but only in steps of 2 PbS monolayers. To study the reaction mechanism, a synthesis at a lower temperature allowed for the study of reaction intermediates. Specifically, we studied the evolution of pseudo-crystalline templates towards mature, crystalline PbS NSs. We propose a self-induced templating mechanism based on an oleylamine-lead-thiocyanate (OLAM-Pb-SCN) complex with two Pb-SCN units as a building block; the interactions between the long-chain ligands regulate the crystal structure and possibly the lateral dimensions. | ||||
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| Language | Wos | 000959572100001 | Publication Date | 2023-03-25 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.6 | Times cited | 2 | Open Access | OpenAccess |
| Notes | H2020 Research Infrastructures, 731019 ; H2020 European Research Council, 692691 815128 ; Nederlandse Organisatie voor Wetenschappelijk Onderzoek, 715.016.002 ; | Approved | Most recent IF: 8.6; 2023 IF: 9.466 | ||
| Call Number | EMAT @ emat @c:irua:195894 | Serial | 7255 | ||
| Permanent link to this record | |||||
| Author | Mosquera, J.; Wang, D.; Bals, S.; Liz-Marzan, L.M. | ||||
| Title | Surfactant layers on gold nanorods | Type | A1 Journal article | ||
| Year | 2023 | Publication | Accounts of chemical research | Abbreviated Journal | |
| Volume | 56 | Issue | 10 | Pages | 1204-1212 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Gold nanorods (Au NRs) are an exceptionally promising tool in nanotechnology due to three key factors: (i) their strong interaction with electromagnetic radiation, stemming from their plasmonic nature, (ii) the ease with which the resonance frequency of their longitudinal plasmon mode can be tuned from the visible to the near-infrared region of the electromagnetic spect r u m based on their aspect ratio, and (iii) their simple and cost-effective preparation through seed-mediated chemical growth. In this synthetic method, surfactants play a critical role in controlling the size, shape, and colloidal stabi l i t y of Au NRs. For example, surfactants can stabilize specific crystallographic facets during the formation of Au NRs, leading to t h e formation of NRs with specific morphologies. The process of surfactant adsorption onto the NR surface may result in various assemblies of surfactant molecules, such as spherical micelles, elongated micelles, or bilayers. Again, the assembly mode is critical toward determining the further availabi l i t y of the Au NR surface to the surrounding medium. Despite its importance and a great deal of research effort, the interaction between Au NPs and surfactants remains insufficiently understood, because the assembly process is influenced by numerous factors, including the chemical nature of the surfactant, the surface morphology of Au NPs, and solution parameters. Therefore, gaining a more comprehensive understanding of these interactions is essential to unlock the full potential of the seed-mediated growth method and the applications of plasmonic NPs. A plethora of characterization techniques have been applied to reach such an understanding , but many open questions remain. In this Account, we review the current knowledge on the interactions between surfactants and Au NRs. We briefly introduce the state-of-the-art methods for synthesizing Au NRs and highlight the crucial role of cationic surfactants during this process. The self-assembly and organization of surfactants on the Au NR surface is then discussed to better understand their role in seed-mediated growth. Subsequently, we provide examples and elucidate how chemical additives can be used to modulate micellar assemblies, in turn allowing for a finer control over the growth of Au NRs, including chiral NRs. Next, we review the main experimental characterization and computational modeling techniques that have been applied to shed light on the arrangement of surfactants on Au NRs and summarize the advantages and disadvantages for each technique. The Account ends with a “Conclusions and Outlook” section, outlining promising future research directions and developments that we consider are sti l l required, mostly related to the application of electron microscopy in liquid and in 3D. Finally, we remark on the potential of exploiting machine learning techniques to predict synthetic routes for NPs with predefined structures and properties. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000986447000001 | Publication Date | 2023-05-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0001-4842 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 18.3 | Times cited | 8 | Open Access | OpenAccess |
| Notes | The authors acknowledge financial support by the European Research Council (ERC CoG No. 815128 REALNANO to S.B.; ERC AdG No. 787510, 4DbioSERS to L.M.L.-M.) , from MCIN/AEI/10.13039/501100011033 and “ESF Investing in your future” (Grant PID2020-117779RB-I00 to L.M.L.-M. and Grants RYC2019-027842-I , PID2020-117885GA-I00 to J.M.) , and by Guangdong Provincial Key Laboratory of Optical Information Materials and Technology (No. 2017B030301007) , National Center for International Research on Green Optoelectronics (No. 2016B01018) , MOE Interna-tional Laboratory for Optical Information Technologies, and the 111 projects. | Approved | Most recent IF: 18.3; 2023 IF: 20.268 | ||
| Call Number | UA @ admin @ c:irua:196768 | Serial | 8940 | ||
| Permanent link to this record | |||||
| Author | Yu, R.; Zeng, W.; Zhou, L.; Van Tendeloo, G.; Mai, L.; Yao, Z.; Wu, J. | ||||
| Title | Layer-by-layer delithiation during lattice collapse as the origin of planar gliding and microcracking in Ni-rich cathodes | Type | A1 Journal article | ||
| Year | 2023 | Publication | Cell reports physical science | Abbreviated Journal | |
| Volume | 4 | Issue | 7 | Pages | 101480-14 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | High-energy-density nickel (Ni)-rich cathode materials are used in commercial lithium (Li)-ion batteries for electric vehicles, but they suffer from severe structural degradation upon cycling. Planar gliding and microcracking are seeds for fatal mechanical fracture, but their origin remains unclear. Herein, we show that “layer-by -layer delithiation”is activated at high voltages during the charge process when the “lattice collapse”(a characteristic high-voltage lattice evolution in Ni-rich cathodes) occurs. Layer-by-layer deli-thiation is evidenced by direct observation of the consecutive lattice collapse using in situ scanning transmission electron micro-scopy (STEM). The collapsing of the lattice initiates in the expanded planes and consecutively extends to the whole crystal. Localized strain will be induced at lattice-collapsing interface where planar gliding and intragranular microcracks are generated to release this strain. Our study reveals that layer-by-layer delithia-tion during lattice collapse is the fundamental origin of the mechanical instability in single-crystalline Ni-rich cathodes. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001048074500001 | Publication Date | 2023-06-30 | |
| 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 | UA @ admin @ c:irua:198299 | Serial | 8893 | ||
| Permanent link to this record | |||||
| Author | Raes, A.; Ninakanti, R.; Van den Bergh, L.; Borah, R.; Van Doorslaer, S.; Verbruggen, S.W. | ||||
| Title | Black titania by sonochemistry : a critical evaluation of existing methods | Type | A1 Journal article | ||
| Year | 2023 | Publication | Ultrasonics sonochemistry | Abbreviated Journal | |
| Volume | 100 | Issue | Pages | 106601-106609 | |
| Keywords | A1 Journal article; Theory and Spectroscopy of Molecules and Materials (TSM²); Laboratory of adsorption and catalysis (LADCA) | ||||
| Abstract | In the field of photocatalysis, the fabrication of black titania is a booming topic, as it offers a system with improved solar light harvesting properties and increased overall efficiency. The darkening of white TiO2 powders can be ascribed to surface hydroxylation, oxygen vacancies, Ti3+ centres, or a combination thereof. A handful of studies suggests these defects can be conveniently introduced by acoustic cavitation, generated during sonochemical treatment of pristine TiO2 powders. In reproducing these studies, P25 TiO2 samples were ultrasonicated for various hours with a power density of 8000 W/L, resulting in powders that indeed became gradually darker with increasing sonication time. However, HAADF–STEM revealed that extensive erosion of the sonotrode tip took place and contaminated the samples, which appeared to be the primary reason for the observed colour change. This was confirmed by UV–Vis DRS and DRIFTS, that showed no significant alteration of the catalyst surface after sonication. EPR measurements showed that only an insignificant fraction of Ti3+ centres were produced, far less than in a TiO2 sample that was chemically reduced with NaBH4. No evidence of the presence oxygen vacancies could be found. The enhanced photocatalytic activities of ultrasonicated materials reported in literature can therefore not be ascribed to the synthesis of actual black (defected) TiO2, but rather to specific changes in morphology as a result of acoustic cavitation. Also, this study underlines the importance of considering probe erosion in sonochemical catalyst synthesis, which is an unavoidable side effect that can have an important impact on the catalyst appearance, properties and performance. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001084391500001 | Publication Date | 2023-09-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1350-4177 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.4 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 8.4; 2023 IF: 4.218 | |||
| Call Number | UA @ admin @ c:irua:198848 | Serial | 8838 | ||
| Permanent link to this record | |||||
| Author | Van den Broek, W.; Jannis, D.; Verbeeck, J. | ||||
| Title | Convexity constraints on linear background models for electron energy-loss spectra | Type | A1 Journal Article | ||
| Year | 2023 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | 254 | Issue | Pages | 113830 | |
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | In this paper convexity constraints are derived for a background model of electron energy loss spectra (EELS) that is linear in the fitting parameters. The model outperforms a power-law both on experimental and simulated backgrounds, especially for wide energy ranges, and thus improves elemental quantification results. Owing to the model’s linearity, the constraints can be imposed through fitting by quadratic programming. This has important advantages over conventional nonlinear power-law fitting such as high speed and a guaranteed unique solution without need for initial parameters. As such, the need for user input is significantly reduced, which is essential for unsupervised treatment of large datasets. This is demonstrated on a demanding spectrum image of a semiconductor device sample with a high number of elements over a wide energy range. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2023-08-15 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0304-3991 | ISBN | Additional Links | UA library record | |
| Impact Factor | 2.2 | Times cited | Open Access | Not_Open_Access | |
| Notes | ECSEL, 875999 ; Horizon 2020; Horizon 2020 Framework Programme; Electronic Components and Systems for European Leadership; | Approved | Most recent IF: 2.2; 2023 IF: 2.843 | ||
| Call Number | EMAT @ emat @c:irua:200588 | Serial | 8961 | ||
| Permanent link to this record | |||||
| Author | Hofer, C.; Pennycook, T.J. | ||||
| Title | Reliable phase quantification in focused probe electron ptychography of thin materials | Type | A1 Journal Article | ||
| Year | 2023 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | 254 | Issue | Pages | 113829 | |
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | Electron ptychography provides highly sensitive, dose efficient phase images which can be corrected for aberrations after the data has been acquired. This is crucial when very precise quantification is required, such as with sensitivity to charge transfer due to bonding. Drift can now be essentially eliminated as a major impediment to focused probe ptychography, which benefits from the availability of easily interpretable simultaneous Z-contrast imaging. However challenges have remained when quantifying the ptychographic phases of atomic sites. The phase response of a single atom has a negative halo which can cause atoms to reduce in phase when brought closer together. When unaccounted for, as in integrating methods of quantification, this effect can completely obscure the effects of charge transfer. Here we provide a new method of quantification that overcomes this challenge, at least for 2D materials, and is robust to experimental parameters such as noise, sample tilt. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001071608700001 | Publication Date | 2023-08-18 | |
| 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 | ||
| Notes | FWO, G013122N ; Horizon 2020 Framework Programme; Horizon 2020; European Research Council, 802123-HDEM ; European Research Council; | Approved | Most recent IF: 2.2; 2023 IF: 2.843 | ||
| Call Number | EMAT @ emat @c:irua:200272 | Serial | 8987 | ||
| Permanent link to this record | |||||
| Author | Denisov, N.; Jannis, D.; Orekhov, A.; Müller-Caspary, K.; Verbeeck, J. | ||||
| Title | Characterization of a Timepix detector for use in SEM acceleration voltage range | Type | A1 Journal article | ||
| Year | 2023 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | 253 | Issue | Pages | 113777 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Hybrid pixel direct electron detectors are gaining popularity in electron microscopy due to their excellent properties. Some commercial cameras based on this technology are relatively affordable which makes them attractive tools for experimentation especially in combination with an SEM setup. To support this, a detector characterization (Modulation Transfer Function, Detective Quantum Efficiency) of an Advacam Minipix and Advacam Advapix detector in the 15–30 keV range was made. In the current work we present images of Point Spread Function, plots of MTF/DQE curves and values of DQE(0) for these detectors. At low beam currents, the silicon detector layer behaviour should be dominant, which could make these findings transferable to any other available detector based on either Medipix2, Timepix or Timepix3 provided the same detector layer is used. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001026912700001 | Publication Date | 2023-06-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0304-3991 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 2.2 | Times cited | Open Access | OpenAccess | |
| Notes | The authors acknowledge the financial support of the Research Foundation Flanders (FWO, Belgium) project SBO S000121N. The authors are grateful to Dr. Lobato for productive discussion of methods. | Approved | Most recent IF: 2.2; 2023 IF: 2.843 | ||
| Call Number | EMAT @ emat @c:irua:198258 | Serial | 8815 | ||
| Permanent link to this record | |||||
| Author | Lobato, I.; De Backer, A.; Van Aert, S. | ||||
| Title | Real-time simulations of ADF STEM probe position-integrated scattering cross-sections for single element fcc crystals in zone axis orientation using a densely connected neural network | Type | A1 Journal article | ||
| Year | 2023 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | 251 | Issue | Pages | 113769 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Quantification of annular dark field (ADF) scanning transmission electron microscopy (STEM) images in terms of composition or thickness often relies on probe-position integrated scattering cross sections (PPISCS). In order to compare experimental PPISCS with theoretically predicted ones, expensive simulations are needed for a given specimen, zone axis orientation, and a variety of microscope settings. The computation time of such simulations can be in the order of hours using a single GPU card. ADF STEM simulations can be efficiently parallelized using multiple GPUs, as the calculation of each pixel is independent of other pixels. However, most research groups do not have the necessary hardware, and, in the best-case scenario, the simulation time will only be reduced proportionally to the number of GPUs used. In this manuscript, we use a learning approach and present a densely connected neural network that is able to perform real-time ADF STEM PPISCS predictions as a function of atomic column thickness for most common face-centered cubic (fcc) crystals (i.e., Al, Cu, Pd, Ag, Pt, Au and Pb) along [100] and [111] zone axis orientations, root-mean-square displacements, and microscope parameters. The proposed architecture is parameter efficient and yields accurate predictions for the PPISCS values for a wide range of input parameters that are commonly used for aberration-corrected transmission electron microscopes. |
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001011617200001 | Publication Date | 2023-06-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0304-3991 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 2.2 | Times cited | Open Access | OpenAccess | |
| Notes | This work was supported by the European Research Council (Grant 770887 PICOMETRICS to S. Van Aert). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G034621N and G0A7723N) and a postdoctoral grant to A. De Backer. S. Van Aert acknowledges funding from the University of Antwerp Research fund (BOF), Belgium. | Approved | Most recent IF: 2.2; 2023 IF: 2.843 | ||
| Call Number | EMAT @ emat @c:irua:197275 | Serial | 8812 | ||
| Permanent link to this record | |||||
| Author | De Backer, A.; Bals, S.; Van Aert, S. | ||||
| Title | A decade of atom-counting in STEM: From the first results toward reliable 3D atomic models from a single projection | Type | A1 Journal article | ||
| Year | 2023 | Publication | Ultramicroscopy | Abbreviated Journal | |
| Volume | Issue | Pages | 113702 | ||
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Quantitative structure determination is needed in order to study and understand nanomaterials at the atomic scale. Materials characterisation resulting in precise structural information is a crucial point to understand the structure–property relation of materials. Counting the number of atoms and retrieving the 3D atomic structure of nanoparticles plays an important role here. In this paper, an overview will be given of the atom-counting methodology and its applications over the past decade. The procedure to count the number of atoms will be discussed in detail and it will be shown how the performance of the method can be further improved. Furthermore, advances toward mixed element nanostructures, 3D atomic modelling based on the atom-counting results, and quantifying the nanoparticle dynamics will be highlighted. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000953765800001 | Publication Date | 2023-02-10 | |
| 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 | 3 | Open Access | OpenAccess |
| Notes | This work was supported by the European Research Council (Grant 770887 PICOMETRICS to S. Van Aert, Grant 815128 REALNANO to S. Bals, and Grant 823717 ESTEEM3). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0267.18N, G.0502.18N, G.0346.21N, and EOS 30489208) and a postdoctoral grant to A. De Backer. S. Van Aert acknowledges funding from the University of Antwerp Research fund (BOF) . The authors also thank the colleagues who have contributed to this work over the years, including T. Altantzis, E. Arslan Irmak, K.J. Batenburg, E. Bladt, A. De wael, R. Erni, C. Faes, B. Goris, L. Jones, L.M. Liz-Marzán, I. Lobato, G.T. Martinez, P.D. Nellist, M.D. Rosell, A. Rosenauer, K.H.W. van den Bos, A. Varambhia, and Z. Zhang.; esteem3reported; esteem3JRA | Approved | Most recent IF: 2.2; 2023 IF: 2.843 | ||
| Call Number | EMAT @ emat @c:irua:195896 | Serial | 7236 | ||
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| Author | Zhang, Z.; Lobato, I.; De Backer, A.; Van Aert, S.; Nellist, P. | ||||
| Title | Fast generation of calculated ADF-EDX scattering cross-sections under channelling conditions | Type | A1 Journal article | ||
| Year | 2023 | Publication | Ultramicroscopy | Abbreviated Journal | |
| Volume | 246 | Issue | Pages | 113671 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Advanced materials often consist of multiple elements which are arranged in a complicated structure. Quantitative scanning transmission electron microscopy is useful to determine the composition and thickness of nanostructures at the atomic scale. However, significant difficulties remain to quantify mixed columns by comparing the resulting atomic resolution images and spectroscopy data with multislice simulations where dynamic scattering needs to be taken into account. The combination of the computationally intensive nature of these simulations and the enormous amount of possible mixed column configurations for a given composition indeed severely hamper the quantification process. To overcome these challenges, we here report the development of an incoherent non-linear method for the fast prediction of ADF-EDX scattering cross-sections of mixed columns under channelling conditions. We first explain the origin of the ADF and EDX incoherence from scattering physics suggesting a linear dependence between those two signals in the case of a high-angle ADF detector. Taking EDX as a perfect incoherent reference mode, we quantitatively examine the ADF longitudinal incoherence under different microscope conditions using multislice simulations. Based on incoherent imaging, the atomic lensing model previously developed for ADF is now expanded to EDX, which yields ADF-EDX scattering cross-section predictions in good agreement with multislice simulations for mixed columns in a core–shell nanoparticle and a high entropy alloy. The fast and accurate prediction of ADF-EDX scattering cross-sections opens up new opportunities to explore the wide range of ordering possibilities of heterogeneous materials with multiple elements. | ||||
| Address | |||||
| Corporate Author | Zezhong Zhang | Thesis | |||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000995063900001 | Publication Date | 2022-12-28 | |
| 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 | European Research Council 770887 PICOMETRICS; Fonds Wetenschappelijk Onderzoek No.G.0502.18N; Horizon 2020, 770887 ; Horizon 2020 Framework Programme; European Research Council, 823717 ESTEEM3 ; esteem3reported; esteem3JRa | Approved | Most recent IF: 2.2; 2023 IF: 2.843 | ||
| Call Number | EMAT @ emat @c:irua:195890 | Serial | 7251 | ||
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| Author | Van Oijstaeijen, W.; Finizola e Silva, M.; Back, P.; Collins, A.; Verheyen, K.; De Beelde, R.; Cools, J.; Van Passel, S. | ||||
| Title | The Nature Smart Cities business model : a rapid decision-support and scenario analysis tool to reveal the multi-benefits of green infrastructure investments | Type | Administrative Services | ||
| Year | 2023 | Publication | Urban forestry & urban greening | Abbreviated Journal | |
| Volume | 84 | Issue | Pages | 127923-14 | |
| Keywords | Administrative Services; A1 Journal article; Art; Engineering Management (ENM) | ||||
| Abstract | Incorporating natural spaces within urban areas has been shown to have multiple benefits. However, despite greening and adaptation strategies at different levels of government, progress remains slow with a lack of easy to use and comprehensive tools identified as key to overcoming this. This paper presents a co-designed tool with academic and local authority partners to demonstrate the ecosystem service benefits of small-scale urban green infrastructure projects. Through the tool, users can readily assess the impact of green infrastructure investments on the delivery of a selection of ecosystem services in the early stages of a project. Furthermore, the tool provides a standardised assessment of cultural ecosystem services' contributions, as well as offering a method to score spatial designs on the impact on habitat for biodiversity. Use of the tool is demonstrated using a pilot study in Kapelle, the Netherlands. The results set out an overview of the impacts of the spatial design on estimated ecosystem service delivery. They also show the tool's potential to add value in early project stages and as a planning and design tool, helping to maximise the benefits that can be achieved through green infrastructure design. Complementing these arguments with ball-park estimations on green infrastructure costs, the Nature Smart Cities Business Model aims to offer public sector officers the means to create a business case for green infrastructure measures, facilitating the translation from strategies to actual plans, thus benefitting green infrastructure implementation in the public realm. | ||||
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| Language | Wos | 000982199900001 | Publication Date | 2023-04-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1618-8667 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | no | |||
| Call Number | UA @ admin @ c:irua:196748 | Serial | 9235 | ||
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| Author | Alloul, A.; Blansaer, N.; Cabecas Segura, P.; Wattiez, R.; Vlaeminck, S.E.; Leroy, B. | ||||
| Title | Dehazing redox homeostasis to foster purple bacteria biotechnology | Type | A1 Journal article | ||
| Year | 2023 | Publication | Trends in biotechnology : regular edition | Abbreviated Journal | |
| Volume | 41 | Issue | 1 | Pages | 106-119 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Purple non-sulfur bacteria (PNSB) show great potential for environmental and industrial biotechnology, producing microbial protein, biohydrogen, polyhydroxyalkanoates (PHAs), pigments, etc. When grown photoheterotrophically, the carbon source is typically more reduced than the PNSB biomass, which leads to a redox imbalance. To mitigate the excess of electrons, PNSB can exhibit several ‘electron sinking’ strategies, such as CO2 fixation, N2 fixation, and H2 and PHA production. The lack of a comprehensive (over)view of these redox strategies is hindering the implementation of PNSB for biotechnology applications. This review aims to present the state of the art of redox homeostasis in phototrophically grown PNSB, presenting known and theoretically expected strategies, and discussing them from stoichiometric, thermodynamic, metabolic, and economic points of view. | ||||
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| Language | Wos | 000923198400001 | Publication Date | 2022-07-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1879-3096;0167-7799 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 17.3 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 17.3; 2023 IF: 11.126 | |||
| Call Number | UA @ admin @ c:irua:192944 | Serial | 7294 | ||
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| Author | Cui, Z.; Hao, Y.; Jafarzadeh, A.; Li, S.; Bogaerts, A.; Li, L. | ||||
| Title | The adsorption and decomposition of SF6 over defective and hydroxylated MgO surfaces: A DFT study | Type | A1 Journal article | ||
| Year | 2023 | Publication | Surfaces and interfaces | Abbreviated Journal | |
| Volume | 36 | Issue | Pages | 102602 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Plasma degradation is one of the most effective methods for the abatement of greenhouse gas sulfur hexafluoride (SF6). To evaluate the potential of MgO as a catalyst in plasma degradation, we investigate the catalytic properties of MgO on SF6 adsorption and activation by density functional theory (DFT) where the O-defective and hydroxylated surfaces are considered as two typical plasma-generated surfaces. Our results show that perfect MgO (001) and (111) surfaces cannot interact with SF6 and only physical adsorption happens. In case of Odefective MgO surfaces, the O vacancy is the most stable adsorption site. SF6 undergoes a decomposition to SF5 and F over the O-defective MgO (001) surface and undergoes an elongation of the bottom S-F bond over the Odefective (111) surface. Besides, SF6 shows a physically adsorption at the stepsite of the MgO (001) surface, accompanied by small changes in its bond angle and length. Furthermore, SF6 is found to be physically and chemically adsorbed over 0.5 and 1.0 ML (monolayer) H-covered O-terminated MgO (111) surfaces, respectively. The SF6 molecule undergoes a self-decomposition on the 1.0 ML hydroxylated surface via a surface bonding process. This study shows that defective and hydroxylated MgO surfaces have the surface capacities for SF6 activation, which shows that MgO has potential as packing material in SF6 waste treatment in packed-bed plasmas. |
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| Language | Wos | 000916285000001 | Publication Date | 2022-12-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2468-0230 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.2 | Times cited | Open Access | OpenAccess | |
| Notes | National Natural Science Foundation of China, 52207155 ; Fonds Wetenschappelijk Onderzoek; Vlaams Supercomputer Centrum; Vlaamse regering; | Approved | Most recent IF: 6.2; 2023 IF: NA | ||
| Call Number | PLASMANT @ plasmant @c:irua:194364 | Serial | 7244 | ||
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| Author | Vladimirova, N.V.; Frolov, A.S.; Sanchez-Barriga, J.; Clark, O.J.; Matsui, F.; Usachov, D.Y.; Muntwiler, M.; Callaert, C.; Hadermann, J.; Neudachina, V.S.; Tamm, M.E.; Yashina, L.V. | ||||
| Title | Occupancy of lattice positions probed by X-ray photoelectron diffraction : a case study of tetradymite topological insulators | Type | A1 Journal article | ||
| Year | 2023 | Publication | Surfaces and interfaces | Abbreviated Journal | |
| Volume | 36 | Issue | Pages | 102516-10 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Occupancy of different structural positions in a crystal lattice often seems to play a key role in material prop-erties. Several experimental techniques have been developed to uncover this issue, all of them being mostly bulk sensitive. However, many materials including topological insulators (TIs), which are among the most intriguing modern materials, are intended to be used in devices as thin films, for which the sublattice occupancy may differ from the bulk. One of the possible approaches to occupancy analysis is X-ray Photoelectron Diffraction (XPD), a structural method in surface science with chemical sensitivity. We applied this method in a case study of Sb2(Te1-xSex)3 mixed crystals, which belong to prototypical TIs. We used high-angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) as a reference method to verify our analysis. We revealed that the XPD data for vacuum cleaved bulk crystals are in excellent agreement with the reference ones. Also, we demonstrate that the anion occupancy near a naturally formed surface can be rather different from that of the bulk. The present results are relevant for a wide range of compositions where the system remains a topological phase, as we ultimately show by probing the transiently occupied topological surface state above the Fermi level by ultrafast photoemission. | ||||
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| Language | Wos | 000901694900001 | Publication Date | 2022-11-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2468-0230 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 6.2 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 6.2; 2023 IF: NA | |||
| Call Number | UA @ admin @ c:irua:193502 | Serial | 7327 | ||
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| Author | Parchomenko, A.; De Smet, S.; Pals, E.; Vanderreydt, I.; Van Opstal, W. | ||||
| Title | The circular economy potential of reversible bonding in smartphones | Type | A1 Journal article | ||
| Year | 2023 | Publication | Sustainable Production and Consumption | Abbreviated Journal | |
| Volume | 41 | Issue | Pages | 362-378 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | The increased use of adhesive bonding in manufacturing is an important barrier to implement circular economy strategies, including repair, refurbishment, and high-quality recycling. The circular economy potential of reversible adhesives that are debondable on demand, however, remains largely unexplored. In this paper we apply an integrated technology-agnostic framework to smartphones to identify and quantify the circular econ-omy potential of reversible bonding. In this framework we combine insights from Life Cycle Assessment, Life Cycle Costing, and Statistical Entropy Analysis. We find that reversible bonding of smartphones can be an enabler for circular strategies and have a considerable positive impact on preserving higher functionality on a product, component, and material level. The major added value of reversible bonding is its potential to replace and update parts, retaining the main environmental hotspot of a smartphone. Firms, however, will not likely switch to this technology, even though bonding and debonding make up only a small fraction of total lifecycle costs. Therefore, policy recommendations include mandatory policies on repairability and public procurement favouring the use of reversible bonding techniques. This would alter incentives in contexts where consumer preferences for lease markets cannot be taken for granted. The evaluation of different debonding scenarios from three distinct per-spectives provides a comprehensive, more reliable, and robust understanding of the trade-offs related to debonding and its potential contribution to the circular economy. | ||||
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| Language | Wos | 001078407500001 | Publication Date | 2023-09-03 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2352-5509 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 12.1 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 12.1; 2023 IF: NA | |||
| Call Number | UA @ admin @ c:irua:200307 | Serial | 9104 | ||
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| Author | Parrilla, M.; Vanhooydonck, A.; Johns, M.; Watts, R.; De Wael, K. | ||||
| Title | 3D-printed microneedle-based potentiometric sensor for pH monitoring in skin interstitial fluid | Type | A1 Journal article | ||
| Year | 2023 | Publication | Sensors and actuators : B : chemical | Abbreviated Journal | |
| Volume | 378 | Issue | Pages | 133159-10 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Internet Data Lab (IDLab); Product development; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) | ||||
| Abstract | Wearable electrochemical sensors are driven by the user-friendly capability of continuous monitoring of key biomarkers for diagnostic or therapeutic operations. Particularly, microneedle (MN)-based sensors can access the interstitial fluid (ISF) in the dermis layer of skin to carry out on-body transdermal detection of analytes. Interestingly, 3D-printing technology allows for rapid and versatile prototyping reaching micrometer resolution. Herein, for the first time, we explore 3D-printed hollow MN patches (1 mm height x 1 mm base with 0.3 mm hole) which are modified with conductive inks to develop a potentiometric sensor for pH monitoring. First, the piercing capability of 3D-printed MN patches is demonstrated by using the parafilm model and their insertion in porcine skin. Subsequently, the hollow MNs are filled with conductive inks to engineer a set of microelectrodes. Thereafter, the working and reference electrodes are properly modified with polyaniline and polyvinyl butyral, respectively, toward a highly stable potentiometric cell. A full in vitro characterization is performed within a broad range of pH (i.e. pH 4 to pH 9). Besides, the MN sensor is analytically assessed in phantom gel and pierced on porcine skin to evaluate the resilience of the MN sensor. Finally, the MN sensor is pierced on the forearm of a subject and tested for its on-body monitoring capability. Overall, 3D-printed MN-based potentiometric sensing brings a versatile and affordable technology to minimally-invasively monitor key physiological parameters in the body. | ||||
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| Language | Wos | 000904590500008 | Publication Date | 2022-12-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0925-4005 | 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 | UA @ admin @ c:irua:192381 | Serial | 8824 | ||
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| Author | Mary Joy, R.; Pobedinskas, P.; Bourgeois, E.; Chakraborty, T.; Görlitz, J.; Herrmann, D.; Noël, C.; Heupel, J.; Jannis, D.; Gauquelin, N.; D'Haen, J.; Verbeeck, J.; Popov, C.; Houssiau, L.; Becher, C.; Nesládek, M.; Haenen, K. | ||||
| Title | Germanium vacancy centre formation in CVD nanocrystalline diamond using a solid dopant source | Type | A3 Journal article | ||
| Year | 2023 | Publication | Science talks | Abbreviated Journal | Science Talks |
| Volume | 5 | Issue | Pages | 100157 | |
| Keywords | A3 Journal article; Electron microscopy for materials research (EMAT) | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2023-02-09 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2772-5693 | ISBN | Additional Links | UA library record | |
| Impact Factor | Times cited | Open Access | OpenAccess | ||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | EMAT @ emat @c:irua:196969 | Serial | 8791 | ||
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| Author | Yang, T.; Kong, Y.; Du, Y.; Li, K.; Schryvers, D. | ||||
| Title | Discovery of core-shell quasicrystalline particles | Type | A1 Journal article | ||
| Year | 2023 | Publication | Scripta materialia | Abbreviated Journal | |
| Volume | 222 | Issue | Pages | 115040-115046 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Submicron-sized quasicrystalline particles were obtained in an Al-Zn-Mg-Cu alloy produced by traditional melting. These particles consist of an Al-Fe-Ni core and a Mg-Cu-Zn shell and were found to be stable and embedded randomly in the Al matrix. The diffraction patterns of these core-shell particles reveal a decagonal core and an icosahedral shell with, respectively, ten- and five-fold axes aligned. High resolution scanning transmission electron microscopy of the Mg-Cu-Zn shell confirms the five-fold symmetry atomic arrangement and the icosahedral structure. It can therefore be concluded that Fe and Ni impurities play an important role in mediating the formation of such an unusual ternary core-shell quasicrystalline particle. These findings provide some novel insights in the formation of quasicrystals in traditional industrial Al alloys. | ||||
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| Language | Wos | 000864491400005 | Publication Date | 2022-09-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1359-6462 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 6; 2023 IF: 3.747 | |||
| Call Number | UA @ admin @ c:irua:191489 | Serial | 7144 | ||
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| Author | Li, L.; Lin, Q.; Nijs, I.; De Boeck, H.; Beemster, G.T.S.; Asard, H.; Verbruggen, E. | ||||
| Title | More persistent weather causes a pronounced soil microbial legacy but does not impact subsequent plant communities | Type | A1 Journal article | ||
| Year | 2023 | Publication | The science of the total environment | Abbreviated Journal | |
| Volume | 903 | Issue | Pages | 166570-166578 | |
| Keywords | A1 Journal article; Integrated Molecular Plant Physiology Research (IMPRES); Plant and Ecosystems (PLECO) – Ecology in a time of change | ||||
| Abstract | A soil history of exposure to extreme weather may impact future plant growth and microbial community assembly. Currently, little is known about whether and how previous precipitation regime (PR)-induced changes in soil microbial communities influence plant and soil microbial community responses to a subsequent PR. We exposed grassland mesocosms to either an ambient PR (1 day wet-dry alternation) or a persistent PR (30 days consecutive wet-dry alternation) for one year. This conditioned soil was then inoculated as a 10 % fraction into 90 % sterilized “native” soil, after which new plant communities were established and subjected to either the ambient or persistent PR for 60 days. We assessed whether past persistent weather-induced changes in soil microbial community composition affect soil microbial and plant community responses to subsequent weather persistence. The historical regimes caused enduring effects on fungal communities and only temporary effects on bacterial communities, but did not trigger soil microbial legacy effects on plant productivity when exposed to either current PR. This study provides experimental evidence for soil legacy of climate persistence on grassland ecosystems in response to subsequent climate persistence, helping to understand and predict the influences of future climate change on soil biota. | ||||
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| Language | Wos | 001116596100001 | Publication Date | 2023-08-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0048-9697; 1879-1026 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | no | |||
| Call Number | UA @ admin @ c:irua:200463 | Serial | 9213 | ||
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| Author | Muys, M.; González Cámara, S.J.; Derese, S.; Spiller, M.; Verliefde, A.; Vlaeminck, S.E. | ||||
| Title | Dissolution rate and growth performance reveal struvite as a sustainable nutrient source to produce a diverse set of microbial protein | Type | A1 Journal article | ||
| Year | 2023 | Publication | The science of the total environment | Abbreviated Journal | |
| Volume | 866 | Issue | Pages | 161172-161179 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | To provide for the globally increasing demand for proteinaceous food, microbial protein (MP) has the potential to become an alternative food or feed source. Phosphorus (P), on the other hand, is a critical raw material whose global reserves are declining. Growing MP on recovered phosphorus, for instance, struvite obtained from wastewater treatment, is a promising MP production route that could supply protein-rich products while handling P scarcity. The aim of this study was to explore struvite dissolution kinetics in different MP media and characterize MP production with struvite as sole P-source. Different operational parameters, including pH, temperature, contact surface area, and ion concentrations were tested, and struvite dissolution rates were observed between 0.32 and 4.7 g P/L/d and a solubility between 0.23 and 2.22 g P-based struvite/L. Growth rates and protein production of the microalgae Chlorella vulgaris and Limnospira sp. (previously known as Arthrospira sp.), and the purple non‑sulfur bacterium Rhodopseudomonas palustris on struvite were equal to or higher than growth on conventional potassium phosphate. For aerobic heterotrophic bacteria, two slow-growing communities showed decreased growth on struvite, while the growth was increased for a third fast-growing one. Furthermore, MP protein content on struvite was always comparable to the one obtained when grown on standard media. Together with the low content in metals and micropollutants, these results demonstrate that struvite can be directly applied as an effective nutrient source to produce fast-growing MP, without any previous dissolution step. Combining a high purity recovered product with an efficient way of producing protein results in a strong environmental win-win. | ||||
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| Language | Wos | 000922040000001 | Publication Date | 2022-12-24 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 0048-9697; 1879-1026 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.8 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 9.8; 2023 IF: 4.9 | |||
| Call Number | UA @ admin @ c:irua:192943 | Serial | 7297 | ||
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