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Author Kovács, A.; Billen, P.; Cornet, I.; Wijnants, M.; Neyts, E.C.
Title Modeling the physicochemical properties of natural deep eutectic solvents : a review Type A1 Journal article
Year 2020 Publication Chemsuschem Abbreviated Journal Chemsuschem
Volume 13 Issue 15 Pages 3789-3804
Keywords A1 Journal article; Engineering sciences. Technology; Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Biochemical Wastewater Valorization & Engineering (BioWaVE)
Abstract Natural deep eutectic solvents (NADES) are mixtures of naturally derived compounds with a significantly decreased melting point due to the specific interactions among the constituents. NADES have benign properties (low volatility, flammability, toxicity, cost) and tailorable physicochemical properties (by altering the type and molar ratio of constituents), hence they are often considered as a green alternative to common organic solvents. Modeling the relation between their composition and properties is crucial though, both for understanding and predicting their behavior. Several efforts were done to this end, yet this review aims at structuring the present knowledge as an outline for future research. First, we reviewed the key properties of NADES and relate them to their structure based on the available experimental data. Second, we reviewed available modeling methods applicable to NADES. At the molecular level, density functional theory and molecular dynamics allow interpreting density differences and vibrational spectra, and computation of interaction energies. Additionally, properties at the level of the bulk media can be explained and predicted by semi-empirical methods based on ab initio methods (COSMO-RS) and equation of state models (PC-SAFT). Finally, methods based on large datasets are discussed; models based on group contribution methods and machine learning. A combination of bulk media and dataset modeling allows qualitative prediction and interpretation of phase equilibria properties on the one hand, and quantitative prediction of melting point, density, viscosity, surface tension and refractive indices on the other hand. In our view, multiscale modeling, combining the molecular and macroscale methods, will strongly enhance the predictability of NADES properties and their interaction with solutes, yielding truly tailorable solvents to accommodate (bio)chemical reactions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000541499100001 Publication Date 2020-05-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1864-5631 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.4 Times cited Open Access
Notes Approved Most recent IF: 8.4; 2020 IF: 7.226
Call Number UA @ admin @ c:irua:168851 Serial 6770
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Author Bercx, M.; Mayda, S.; Depla, D.; Partoens, B.; Lamoen, D.
Title Plasmonic effects in the neutralization of slow ions at a metallic surface Type A1 Journal Article
Year 2023 Publication Contributions to Plasma Physics Abbreviated Journal Contrib. Plasma Phys
Volume Issue Pages
Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Abstract Secondary electron emission is an important process that plays a significant role in several plasma‐related applications. As measuring the secondary electron yield experimentally is very challenging, quantitative modelling of this process to obtain reliable yield data is critical as input for higher‐scale simulations. Here, we build upon our previous work combining density functional theory calculations with a model originally developed by Hagstrum to extend its application to metallic surfaces. As plasmonic effects play a much more important role in the secondary electron emission mechanism for metals, we introduce an approach based on Poisson point processes to include both surface and bulk plasmon excitations to the process. The resulting model is able to reproduce the yield spectra of several available experimental results quite well but requires the introduction of global fitting parameters, which describe the strength of the plasmon interactions. Finally, we use an in‐house developed workflow to calculate the electron yield for a list of elemental surfaces spanning the periodic table to produce an extensive data set for the community and compare our results with more simplified approaches from the literature.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001067651300001 Publication Date 2023-09-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0863-1042 ISBN Additional Links UA library record; WoS full record
Impact Factor 1.6 Times cited Open Access Not_Open_Access
Notes We acknowledge the financial support of FWO-Vlaanderen through project G.0216.14N. 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: 1.6; 2023 IF: 1.44
Call Number EMAT @ emat @c:irua:200330 Serial 8962
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Author Schram, J.; Parrilla, M.; Sleegers, N.; Van Durme, F.; van den Berg, J.; van Nuijs, A.L.N.; De Wael, K.
Title Electrochemical profiling and liquid chromatography–mass spectrometry characterization of synthetic cathinones : from methodology to detection in forensic samples Type A1 Journal article
Year 2021 Publication Drug Testing And Analysis Abbreviated Journal Drug Test Anal
Volume 13 Issue 7 Pages 1282-1294
Keywords A1 Journal article; Pharmacology. Therapy; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre
Abstract The emergence of new psychoactive drugs in the market demands rapid and accurate tools for the on‐site classification of illegal and legal compounds with similar structures. Herein, a novel method for the classification of synthetic cathinones (SC) is presented based on their electrochemical profile. First, the electrochemical profile of five common SC (i.e., mephedrone, ethcathinone, methylone, butylone and 4‐chloro‐alpha‐pyrrolidinovalerophenone) is collected to build calibration curves using square wave voltammetry on graphite screen‐printed electrodes (SPE). Second, the elucidation of the oxidation pathways, obtained by liquid chromatography‐high resolution mass spectrometry, allows the pairing of the oxidation products to the SC electrochemical profile, providing a selective and robust classification. Additionally, the effect of common adulterants and illicit drugs on the electrochemical profile of the SC is explored. Interestingly, a cathodic pretreatment of the SPE allows the selective detection of each SC in presence of electroactive adulterants. Finally, the electrochemical approach is validated with gas‐chromatography‐mass spectrometry by analyzing 26 confiscated samples from seizures and illegal webshops. Overall, the electrochemical method exhibits a successful classification of SC including structural derivatives, a crucial attribute in an ever‐diversifying drug market.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000624902500001 Publication Date 2021-02-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1942-7603; 1942-7611 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.469 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.469
Call Number UA @ admin @ c:irua:175583 Serial 7863
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Author de Jong, M.; Van Echelpoel, R.; Langley, A.R.; Eliaerts, J.; van den Berg, J.; De Wilde, M.; Somers, N.; Samyn, N.; De Wael, K.
Title Real-time electrochemical screening of cocaine in lab and field settings with automatic result generation Type A1 Journal article
Year 2022 Publication Drug testing and analysis Abbreviated Journal
Volume 14 Issue 8 Pages 1471-1481
Keywords A1 Journal article; Pharmacology. Therapy; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract This work presents the results of a novel application for the fast on-site screening of cocaine and its main cutting agents in suspicious and confiscated samples. The methodology behind the novel application consists of portable electrochemical detection coupled with a peak-recognition algorithm for automated result output generation, validated both in laboratory and field settings. Currently used field tests, predominantly colorimetric tests, are lacking accuracy, often giving false positive or negative results. This presses the need for alternative approaches to field testing. By combining portable electrochemical approaches with peak-recognition algorithms, an accuracy of 98.4% concerning the detection of cocaine was achieved on a set of 374 powder samples. In addition, the approach was tested on multiple 'smuggled', colored cocaine powders and cocaine mixtures in solid and liquid states, typically in matrices such as charcoal, syrup and clothing. Despite these attempts to hide cocaine, our approach succeeded in detecting cocaine during on-site screening scenarios. This feature presents an advantage over colorimetric and optical detection techniques, which can fail with colored sample matrices. This enhanced accuracy on smuggled samples will lead to increased efficiency in confiscation procedures in the field, thus significantly reducing societal economic and safety concerns and highlighting the potential for electrochemical approaches in on-the-spot identification of drugs of abuse.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000790965700001 Publication Date 2022-04-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1942-7603; 1942-7611 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes Approved no
Call Number UA @ admin @ c:irua:187767 Serial 8921
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Author Loreto, S.; Vanrompay, H.; Mertens, M.; Bals, S.; Meynen, V.
Title The influence of acids on tuning the pore size of mesoporous TiO2 templated by non-ionic block copolymers Type A1 Journal article
Year 2018 Publication European journal of inorganic chemistry Abbreviated Journal Eur J Inorg Chem
Volume 2018 Issue 2018 Pages 62-65
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Abstract <script type='text/javascript'>document.write(unpmarked('We show the possibility to tune the pore size of mesoporous TiO2 templated by non-ionic block copolymers by adding different inorganic acids at well-chosen concentration. The effect of the inorganic anions on both the TiO2 cluster formation and the non-ionic block copolymers micelles is investigated to explain the experimental results.'));
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000419706000008 Publication Date 2017-12-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-1948 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.444 Times cited 6 Open Access OpenAccess
Notes ; This work was supported by the Research Foundation-Flanders (FWO) (grant G.0687.13) and the University of Antwerp (BOF project). Hans Vanrompay gratefully acknowledges financial support by the Flemish Fund for Scientific Research (FWO grant 1S32617N). Sara Bals acknowledges financial support from European Research Council (ERC Starting Grant #335078-COLOURATOMS). ; ecas_Sara Approved Most recent IF: 2.444
Call Number UA @ lucian @ c:irua:147897UA @ admin @ c:irua:147897 Serial 4881
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Author Fedotov, S.S.; Aksyonov, D.A.; Samarin, A.S.; Karakulina, O.M.; Hadermann, J.; Stevenson, K.J.; Khasanova, N.R.; Abakumov, A.M.; Antipov, E., V
Title Tuning the crystal structure of A2CoPO4F(A=Li,Na) fluoride-phosphates : a new layered polymorph of LiNaCoPO4F Type A1 Journal article
Year 2019 Publication European journal of inorganic chemistry Abbreviated Journal Eur J Inorg Chem
Volume 2019 Issue 2019 Pages 4365-4372
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Co-containing fluoride-phosphates are of interest in sense of delivering high electrode potentials and attractive specific energy values as positive electrode materials for rechargeable batteries. In this paper we report on a new Co-based fluoride-phosphate, LiNaCoPO4F, with a layered structure (2D), which was Rietveld-refined based on X-ray powder diffraction data [P2(1)/c, a = 6.83881(4) angstrom, b = 11.23323(5) angstrom, c = 5.07654(2) angstrom, beta = 90.3517(5) degrees, V = 389.982(3) angstrom(3)] and validated by electron diffraction and high-resolution scanning transmission electron microscopy. The differential scanning calorimetry measurements revealed that 2D-LiNaCoPO4F forms in a narrow temperature range of 520-530 degrees C and irreversibly converts to the known 3D-LiNaCoPO4F modification (Pnma) above 530 degrees C. The non-carbon-coated 2D-LiNaCoPO4F shows reversible electrochemical activity in Li-ion cell in the potential range of 3.0-4.9 V vs. Li/Li+ with an average potential of approximate to 4.5 V and in Na-ion cell in the range of 3.0-4.5 V vs. Na/Na+ exhibiting a plateau profile centered around 4.2 V, in agreement with the calculated potentials by density functional theory. The energy barriers for both Li+ and Na+ migration in 2D-LiNaCoPO4F amount to 0.15 eV along the [001] direction rendering 2D-LiNaCoPO4F as a viable electrode material for high-power Li- and Na-ion rechargeable batteries. The discovery and stabilization of the 2D-LiNaCoPO4F polymorph indicates that temperature influence on the synthesis of A(2)MPO(4)F fluoride-phosphates needs more careful examination with perspective to unveil new structures.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000484135500001 Publication Date 2019-08-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-1948 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.444 Times cited Open Access
Notes ; This work is supported by the Russian Science Foundation (grant 17-73-30006). The authors greatly thank Dr. D. Rupasov for TG-DSC experiments, B. D. Shmykov and A. I. Manoilov for assistance with sample preparation, the Skoltech Center for Energy Science and Technology and the Moscow State University Program of Development up to 2020. J. Hadermann and O. M. Karakulina acknowledge support from the FWO under grant G040116N. ; Approved Most recent IF: 2.444
Call Number UA @ admin @ c:irua:162857 Serial 5403
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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.
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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 UA @ admin @ c:irua:176670 Serial 6724
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Author Martínez-Dueñas, E.J.R.; de Jong van Coevorden, C.M.; Stukach, O.V.; Panokin, N.V.; Gielis, J.; Caratelli, D.
Title Electromagnetic modeling and design of a novel class of complementary split‐ring resonators Type A1 Journal article
Year 2019 Publication International journal of RF and microwave computer-aided engineering Abbreviated Journal
Volume 29 Issue 4 Pages e21582
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract This research study reports the assessment of complementary split ring resonators based on Gielis transformation as basic elements for the design of high‐performance microwave components in printed technology. From the electromagnetic simulation of said structures, suitable equivalent circuit models are extracted and analyzed. Physical prototypes are fabricated and tested for design validation. The obtained results confirm that the adoption of supershaped geometries enables the synthesis of very compact scalable microwave filters.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000460308500020 Publication Date 2018-11-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1096-4290 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:155021 Serial 7867
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Author Yusupov, M.; Neyts, E.C.; Verlackt, C.C.; Khalilov, U.; van Duin, A.C.T.; Bogaerts, A.
Title Inactivation of the endotoxic biomolecule lipid A by oxygen plasma species : a reactive molecular dynamics study Type A1 Journal article
Year 2015 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
Volume 12 Issue 12 Pages 162-171
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Reactive molecular dynamics simulations are performed to study the interaction of reactive oxygen species, such as OH, HO2 and H2O2, with the endotoxic biomolecule lipid A of the gram-negative bacterium Escherichia coli. It is found that the aforementioned plasma species can destroy the lipid A, which consequently results in reducing its toxic activity. All bond dissociation events are initiated by hydrogen-abstraction reactions. However, the mechanisms behind these dissociations are dependent on the impinging plasma species, i.e. a clear difference is observed in the mechanisms upon impact of HO2 radicals and H2O2 molecules on one hand and OH radicals on the other hand. Our simulation results are in good agreement with experimental observations.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000350275400005 Publication Date 2014-09-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.846 Times cited 18 Open Access
Notes Approved Most recent IF: 2.846; 2015 IF: 2.453
Call Number c:irua:123540 Serial 1589
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Author Ramakers, M.; Michielsen, I.; Aerts, R.; Meynen, V.; Bogaerts, A.
Title Effect of argon or helium on the CO2 conversion in a dielectric barrier discharge Type A1 Journal article
Year 2015 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
Volume 12 Issue 12 Pages 755-763
Keywords A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract This paper demonstrates that the CO2 conversion in a dielectric barrier discharge rises drastically upon addition of Ar or He, and the effect is more pronounced for Ar than for He. The effective CO2 conversion, on the other hand, drops upon addition of Ar or He, which is logical due to the lower CO2 content in the gas mixture, and the same is true for the energy efficiency, because a considerable fraction of the energy is then consumed into ionization/excitation of Ar or He atoms. The higher absolute CO2 conversion upon addition of Ar or He can be explained by studying in detail the Lissajous plots and the current profiles. The breakdown voltage is lower in the CO2/Ar and CO2/He mixtures, and the discharge gap is more filled with plasma, which enhances the possibility for CO2 conversion. The rates of electron impact excitationdissociation of CO2, estimated from the electron densities and mean electron energies, are indeed higher in the CO2/Ar and (to a lower extent) in the CO2/He mixtures, compared to the pure CO2 plasma. Moreover, charge transfer between Ar+ or Ar2+ ions and CO2, followed by electron-ion dissociative recombination of the CO2+ ions, might also contribute to, or even be dominant for the CO2 dissociation. All these effects can explain the higher CO2 conversion, especially upon addition of Ar, but also upon addition of He.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000359672400007 Publication Date 2015-02-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.846 Times cited 63 Open Access
Notes Approved Most recent IF: 2.846; 2015 IF: 2.453
Call Number c:irua:126822 Serial 799
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Author Garzia Trulli, M.; Claes, N.; Pype, J.; Bals, S.; Baert, K.; Terryn, H.; Sardella, E.; Favia, P.; Vanhulsel, A.
Title Deposition of aminosilane coatings on porous Al2O3microspheres by means of dielectric barrier discharges Type A1 Journal article
Year 2017 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
Volume 14 Issue 14 Pages 1600211
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Abstract Advances in the synthesis of porous microspheres and in their functionalization are increasing the interest in applications of alumina. This paper deals with coatings plasma deposited from 3-aminopropyltriethoxysilane by means of dielectric barrier discharges on alumina porous microspheres, shaped by a vibrational droplet coagulation technique. Aims of the work are the functionalization of the particles with active amino groups, as well as the evaluation of their surface coverage and of the penetration of the coatings into their pores. A multi-diagnostic approach was used for the chemical/morphological characterization of the particles. It was found that 5 min exposure to plasma discharges promotes the deposition of homogeneous coatings onto the microspheres and within their pores, down to 1 μm.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000410773200003 Publication Date 2017-01-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.846 Times cited 8 Open Access OpenAccess
Notes The technical assistance of the VITO staff (Materials Dpt.) is gratefully acknowledged, especially D. Havermans, E. Van Hoof, R. Kemps (SEM-EDX), and A. De Wilde (Hg Porosimetry). Drs. S. Mullens and G. Scheltjens are kindly acknowledged for constructive discussions. Strategic Initiative Materials in Flanders (SIM) is gratefully acknowledged for its financial support. This research was carried out in the framework of the SIM-TRAP program (Tools for rational processing of nano-particles: controlling and tailoring nanoparticle based or nanomodified particle based materials). N. Claes and S. Bals acknowledge financial support from European Research Council (ERC Starting Grant #335078-COLOURATOM). (ROMEO:white; preprint:; postprint:restricted ; pdfversion:cannot); saraecas; ECAS_Sara; Approved Most recent IF: 2.846
Call Number EMAT @ emat @ c:irua:139511UA @ admin @ c:irua:139511 Serial 4342
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Author Duan, J.; Ma, M.; Yusupov, M.; Cordeiro, R.M.; Lu, X.; Bogaerts, A.
Title The penetration of reactive oxygen and nitrogen species across the stratum corneum Type A1 Journal article
Year 2020 Publication Plasma Processes And Polymers Abbreviated Journal Plasma Process Polym
Volume Issue Pages
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The penetration of reactive oxygen and nitrogen species (RONS) across the stratum corneum (SC) is a necessary and crucial process in many skin‐related plasma medical applications. To gain more insights into this penetration behavior, we combined experimental measurements of the permeability of dry and moist SC layers with computer simulations of model lipid membranes. We measured the permeation of relatively stable molecules, which are typically generated by plasma, namely H2O2, NO3−, and NO2−. Furthermore, we calculated the permeation free energy profiles of the major plasma‐generated RONS and their derivatives (i.e., H2O2, OH, HO2, O2, O3, NO, NO2, N2O4, HNO2, HNO3, NO2−, and NO3−) across native and oxidized SC lipid bilayers, to understand the mechanisms of RONS permeation across the SC. Our results indicate that hydrophobic RONS (i.e., NO, NO2, O2, O3, and N2O4) can translocate more easily across the SC lipid bilayer than hydrophilic RONS (i.e., H2O2, OH, HO2, HNO2, and HNO3) and ions (i.e., NO2− and NO3−) that experience much higher permeation barriers. The permeability of RONS through the SC skin lipids is enhanced when the skin is moist and the lipids are oxidized. These findings may help to understand the underlying mechanisms of plasma interaction with a biomaterial and to optimize the environmental parameters in practice in plasma medical applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000536892900001 Publication Date 2020-06-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.5 Times cited Open Access
Notes National Natural Science Foundation of China, 51625701 51977096 ; Fonds Wetenschappelijk Onderzoek, 1200219N ; China Scholarship Council, 201806160128 ; M. Y. acknowledges the Research Foundation Flanders (FWO) for financial support (Grant No. 1200219N). This study was partially supported by the National Natural Science Foundation of China (Grant No: 51625701 and 51977096) and the China Scholarship Council (Grant No: 201806160128). All computational work was performed using the Turing HPC infrastructure at the CalcUA Core Facility of the University of Antwerp (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UA. Approved Most recent IF: 3.5; 2020 IF: 2.846
Call Number PLASMANT @ plasmant @c:irua:169709 Serial 6372
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Author Yusupov, M.; Dewaele, D.; Attri, P.; Khalilov, U.; Sobott, F.; Bogaerts, A.
Title Molecular understanding of the possible mechanisms of oligosaccharide oxidation by cold plasma Type A1 Journal article
Year 2022 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
Volume Issue Pages
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Cold atmospheric plasma (CAP) is a promising technology for several medical applications, including the removal of biofilms from surfaces. However, the molecular mechanisms of CAP treatment are still poorly understood. Here we unravel the possible mechanisms of CAP‐induced oxidation of oligosaccharides, employing reactive molecular dynamics simulations based on the density functional‐tight binding potential. Specifically, we find that the interaction of oxygen atoms (used as CAP‐generated reactive species) with cellotriose (a model system for the oligosaccharides) can break structurally important glycosidic bonds, which subsequently leads to the disruption of the oligosaccharide molecule. The overall results help to shed light on our experimental evidence for cellotriose CAP. This oxidation by study provides atomic‐level insight into the onset of plasma‐induced removal of biofilms, as oligosaccharides are one of the main components of biofilm.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000865844800001 Publication Date 2022-10-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.5 Times cited Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, 1200219N ; They also acknowledge the Turing HPC infrastructure at the CalcUA core facility of the University of Antwerp (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UA, where all computational work was performed. This study was financially supported by the Research Foundation–Flanders (FWO) (grant number 1200219N). Approved Most recent IF: 3.5
Call Number PLASMANT @ plasmant @c:irua:191404 Serial 7113
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Author Altantzis, T.; Goris, B.; Sánchez-Iglesias, A.; Grzelczak, M.; Liz-Marzán, L.M.; Bals, S.
Title Quantitative structure determination of large three-dimensional nanoparticle assemblies Type A1 Journal article
Year 2013 Publication Particle and particle systems characterization Abbreviated Journal Part Part Syst Char
Volume 30 Issue 1 Pages 84-88
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Thumbnail image of graphical abstract To investigate nanoassemblies in three dimensions, electron tomography is an important tool. For large nanoassemblies, it is not straightforward to obtain quantitative results in three dimensions. An optimized acquisition technique, incoherent bright field scanning transmission electron microscopy, is combined with an advanced 3D reconstruction algorithm. The approach is applied to quantitatively analyze large nanoassemblies in three dimensions.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000310806000008 Publication Date 2012-11-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0934-0866; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.474 Times cited 23 Open Access
Notes Goa; Fwo; 267867 Plasmaquo; 262348 Esmi Approved Most recent IF: 4.474; 2013 IF: 0.537
Call Number UA @ lucian @ c:irua:101776 Serial 2763
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Author Sentosun, K.; Sanz Ortiz, M.N.; Batenburg, K.J.; Liz-Marzán, L.M.; Bals, S.
Title Combination of HAADF-STEM and ADF-STEM Tomography for Core-Shell Hybrid Materials Type A1 Journal article
Year 2015 Publication Particle and particle systems characterization Abbreviated Journal Part Part Syst Char
Volume 32 Issue 32 Pages 1063-1067
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Vision lab
Abstract Characterization of core-shell type nanoparticles in 3D by transmission electron microscopy (TEM) can be very challenging. Especially when both heavy and light elements co-exist within the same nanostructure, artefacts in the 3D reconstruction are often present. A representative example would be a particle comprising an anisotropic metallic (Au) nanoparticle coated with a (mesoporous) silica shell. To obtain a reliable 3D characterization of such an object, we propose a dose-efficient strategy to simultaneously acquire high angle annular dark field scanning TEM and annular dark field tilt series for tomography. The 3D reconstruction is further improved by applying an advanced masking and interpolation approach to the acquired data. This new methodology enables us to obtain high quality reconstructions from which also quantitative information can be extracted. This approach is broadly applicable to investigate hybrid core-shell materials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000368446800003 Publication Date 2015-10-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0934-0866; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.474 Times cited 13 Open Access OpenAccess
Notes S.B. acknowledges financial support from European Research Council (ERC) (ERC Starting Grant #335078-COLOURATOM). L.M. acknowledges funding from the EU, Grant# 310651-2 Self-Assembly in Confined Space (SACS). K.J.B acknowledges financial support from the Netherlands Organisation for Scientific Research (NWO), project number 639.072.005 and NWO CW 700.57.026. Networking support was provided by COST Action MP1207. The authors acknowledge the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative, Reference No. 312483-ESTEEM2 for financial support.; esteem2jra4; ECASSara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 4.474; 2015 IF: 3.081
Call Number c:irua:129590 c:irua:129590 Serial 3967
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Author Zanaga, D.; Altantzis, T.; Polavarapu, L.; Liz-Marzán, L.M.; Freitag, B.; Bals, S.
Title A New Method for Quantitative XEDS Tomography of Complex Heteronanostructures Type A1 Journal article
Year 2016 Publication Particle and particle systems characterization Abbreviated Journal Part Part Syst Char
Volume 33 Issue 33 Pages 396-403
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Reliable quantification of 3D results obtained by X-ray Energy Dispersive Spectroscopy (XEDS) tomography is currently hampered by the presence of shadowing effects and poor spatial resolution. Here, we present a method that overcomes these problems by synergistically combining quantified XEDS data and High Angle Annular Dark Field – Scanning Transmission Electron Microscopy (HAADF-STEM) tomography. As a proof of principle, the approach is applied to characterize a complex Au/Ag nanorattle obtained through a galvanic replacement reaction. However, the technique we propose here is widely applicable to a broad range of nanostructures.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000379970000008 Publication Date 2016-03-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0934-0866 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.474 Times cited 29 Open Access OpenAccess
Notes The authors acknowledge financial support from European Research Council (ERC Starting Grant # 335078-COLOURATOMS, ERC Advanced Grant # 291667 HierarSACol and ERC Advanced Grant 267867 – PLASMAQUO), the European Union under the FP7 (Integrated Infrastructure Initiative N. 262348 European Soft Matter Infrastructure, ESMI and N. 312483 ESTEEM2).; esteem2jra4; ECASSara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 4.474
Call Number c:irua:132643 c:irua:132643 Serial 4052
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Author Chinchilla, L.E.; Olmos, C.; Kurttepeli, M.; Bals, S.; Van Tendeloo, G.; Villa, A.; Prati, L.; Blanco, G.; Calvino, J.J.; Chen, X.; Hungría, A.B.
Title Combined macroscopic, nanoscopic, and atomic-scale characterization of gold-ruthenium bimetallic catalysts for octanol oxidation Type A1 Journal article
Year 2016 Publication Particle and particle systems characterization Abbreviated Journal Part Part Syst Char
Volume 33 Issue 33 Pages 419-437
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract A series of gold-ruthenium bimetallic catalysts of increasing Au:Ru molar ratios supported on a Ce0.62Zr0.38O2 mixed oxide are prepared and their structural and chemical features characterized by a combination of macroscopic and atomic-scale techniques based on scanning transmission electron microscopy. The influence of the temperature of the final reduction treatment used as activation step (350-700 degrees C range) is also investigated. The preparation method used allows catalysts to be successfully prepared where a major fraction of the metal nanoparticles is in the size range below 5 nm. The structural complexities characteristic of this type of catalysts are evidenced, as well as the capabilities and limitations of both the macroscopic and microscopic techniques in the characterization of the system of metal nanoparticles. A positive influence of the addition of Ru on both the resistance against sintering and the catalytic performance of the starting supported Au catalyst is evidenced.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000379970000011 Publication Date 2016-05-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0934-0866 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.474 Times cited 7 Open Access OpenAccess
Notes ; This work was supported by the Ministry of Science and Innovation of Spain/ FEDER Program of the EU (Project Nos.: MAT 2013-40823-R and CSD2009-00013), ESTEEM2 (FP7-INFRASTUCTURE-2012-1-312493), Junta de Andalucia (FQM334 and FQM110 and Project: FQM3994). S.B. acknowledges the European Research Council, ERC grant No. 335078 – Colouratom. M.K. is grateful to the Fund for Scientific Research Flanders. X.C. thanks the Ramon y Cajal Program. ; ecas_sara Approved Most recent IF: 4.474
Call Number UA @ lucian @ c:irua:134958 Serial 4150
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Author Amini, M.N.; Altantzis, T.; Lobato, I.; Grzelczak, M.; Sánchez-Iglesias, A.; Van Aert, S.; Liz-Marzán, L.M.; Partoens, B.; Bals, S.; Neyts, E.C.
Title Understanding the Effect of Iodide Ions on the Morphology of Gold Nanorods Type A1 Journal article
Year 2018 Publication Particle and particle systems characterization Abbreviated Journal Part Part Syst Char
Volume 35 Issue 35 Pages 1800051
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The presence of iodide ions during the growth of gold nanorods strongly affects the shape of the final products, which is proposed to be due to selective iodide adsorption on certain crystallographic facets. Therefore, a detailed structural and morphological characterization of the starting rods is crucial toward understanding this effect. Electron tomography is used to determine the crystallographic indices of the lateral facets of gold nanorods, as well as those present at the tips. Based on this information, density functional theory calculations are used to determine the surface and interface energies of the observed facets and provide insight into the relationship between the amount of iodide ions in the growth solution and the final morphology of anisotropic gold nanoparticles.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000441893400002 Publication Date 2018-06-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0934-0866 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.474 Times cited 6 Open Access OpenAccess
Notes This work was supported by the European Research Council (grant 335078 COLOURATOM to S.B.). T.A., S.V.A. S.B. and E.C.N., acknowledge funding from the Research Foundation Flanders (FWO, Belgium), through project funding (G.0218.14N and G.0369.15N) and a postdoctoral grant to T.A. L.M.L.-M. and M.G. acknowledge funding from the Spanish Ministerio de Economía y Competitividad (grant MAT2013-46101-R). Mozhgan N. Amini and Thomas Altantzis contributed equally to this work. (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); ecas_sara Approved Most recent IF: 4.474
Call Number EMAT @ emat @c:irua:152998UA @ admin @ c:irua:152998 Serial 5010
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Author Vanrompay, H.; Buurlage, J.‐W.; Pelt, D.M.; Kumar, V.; Zhuo, X.; Liz‐Marzán, L.M.; Bals, S.; Batenburg, K.J.
Title Real‐Time Reconstruction of Arbitrary Slices for Quantitative and In Situ 3D Characterization of Nanoparticles Type A1 Journal article
Year 2020 Publication Particle & Particle Systems Characterization Abbreviated Journal Part Part Syst Char
Volume 37 Issue 37 Pages 2000073
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract A detailed 3D investigation of nanoparticles at a local scale is of great importance to connect their structure and composition to their properties. Electron tomography has therefore become an important tool for the 3D characterization of nanomaterials. 3D investigations typically comprise multiple steps, including acquisition, reconstruction, and analysis/quantification. Usually, the latter two steps are performed offline, at a dedicated workstation. This sequential workflow prevents on-the-fly control of experimental parameters to improve the quality of the 3D reconstruction, to select a relevant nanoparticle for further characterization or to steer an in-situ tomography experiment. Here, we present an efficient approach to overcome these limitations, based on the real-time reconstruction of arbitrary 2D reconstructed slices through a 3D object. Implementation of this method may lead to generalized implementation of electron tomography for routine nanoparticle characterization in 3D.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000536357100001 Publication Date 2020-05-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0934-0866 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.7 Times cited 10 Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, 1S32617N ; Fonds Wetenschappelijk Onderzoek, G026718N ; Nederlandse Organisatie voor Wetenschappelijk Onderzoek, 639.073.506 016.Veni.192.235 ; H.V. acknowledges financial support by the Research Foundation Flanders (FWO grant 1S32617N). S.B acknowledges financial support by the Research Foundation Flanders (FWO grant G026718N). Financial support was provided by The Netherlands Organization for Scientific Research (NWO), project numbers 639.073.506 and 016.Veni.192.235. This project received funding as well from the European Union’s Horizon 2020 research and innovation program under grant agreement No 731019 (EUSMI) and No 815128 (REALNANO). H.V. and J.-W.B contributed equally to this work.; sygma Approved Most recent IF: 2.7; 2020 IF: 4.474
Call Number EMAT @ emat @c:irua:169704 Serial 6371
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Author Xiao, Y.M.; Xu, W.; Zhang, Y.Y.; Peeters, F.M.
Title Optoelectronic properties of ABC-stacked trilayer graphene Type A1 Journal article
Year 2013 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B
Volume 250 Issue 1 Pages 86-94
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We present a theoretical study on the optoelectronic properties of ABC-stacked trilayer graphene (TLG). The optical conductance and light transmittance are evaluated through using the energy-balance equation derived from the Boltzmann equation for an air/graphene/dielectric-wafer system in the presence of linearly polarized radiation field. The results obtained from two band structure models are examined and compared. For short wavelength radiation, the universal optical conductance sigma(0) = 3e(2)/(4h) can be obtained. Importantly, there exists an optical absorption window in the radiation wavelength range 10-200 mu m, which is induced by different transition energies required for inter- and intra-band optical absorption channels. As a result, we find that the position and width of this window depend sensitively on temperature and carrier density of the system, especially the lower frequency edge. There is a small characteristic absorption peak at about 82 mu m where the largest interband transition states exist in the ABC-stacked TLG model, in contrast to the relatively smooth curves in a simplified model. These theoretical results indicate that TLG has some interesting and important physical properties which can be utilized to realize infrared or THz optoelectronic devices.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000313347500011 Publication Date 2012-08-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0370-1972; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.674 Times cited 6 Open Access
Notes ; This work was supported by the National Natural Science Foundation of China (grant no. 10974206), Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. One of us (F.M.P.) was a Specially Appointed Foreign Professor of the Chinese Academy of Sciences. ; Approved Most recent IF: 1.674; 2013 IF: 1.605
Call Number UA @ lucian @ c:irua:110109 Serial 2495
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Author Vanherck, J.; Schulenborg, J.; Saptsov, R.B.; Splettstoesser, J.; Wegewijs, M.R.
Title Relaxation of quantum dots in a magnetic field at finite bias -Charge, spin, and heat currents Type A1 Journal article
Year 2017 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B
Volume 254 Issue 3 Pages Unsp 1600614
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract <script type='text/javascript'>document.write(unpmarked('We perform a detailed study of the effect of finite bias and magnetic field on the tunneling-induced decay of the state of a quantum dot by applying a recently discovered general duality [Phys. Rev. B 93, 81411 (2016)]. This duality provides deep physical insight into the decay dynamics of electronic open quantum systems with strong Coulomb interaction. It associates the amplitudes of decay eigenmodes of the actual system to the eigenmodes of a so-called dual system with attractive interaction. Thereby, it predicts many surprising features in the transient transport and its dependence on experimental control parameters: the attractive interaction of the dual model shows up as sharp features in the amplitudes of measurable time-dependent currents through the actual repulsive system. In particular, for interacting quantum dots, the time-dependent heat current exhibits a decay mode that dissipates the interaction energy and that is tied to the fermion parity of the system. We show that its decay amplitude has an unexpected gate-voltage dependence that is robust up to sizable bias voltages and then bifurcates, reflecting that the Coulomb blockade is lifted in the dual system. Furthermore, combining our duality relation with the known Iche-duality, we derive new symmetry properties of the decay rates as a function of magnetic field and gate voltage. Finally, we quantify charge- and spin-mode mixing due to the magnetic field using a single mixing parameter.'));
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000395441500011 Publication Date 2017-01-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0370-1972 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.674 Times cited 4 Open Access
Notes ; We acknowledge the financial support of Erasmus Mundus (J. V.), DFG project SCHO 641/7-1 (R.B.S. and M.R.W), the Swedish VR (J.Sc., J.Sp.), and the Knut and Alice Wallenberg Foundation (J. Sp.). The authors thank F. Haupt and N. Dittmann for useful discussions on the topic. ; Approved Most recent IF: 1.674
Call Number UA @ lucian @ c:irua:142510 Serial 4894
Permanent link to this record
 

 
Author Wang, J.; Nguyen, M.D.; Gauquelin, N.; Verbeeck, J.; Do, M.T.; Koster, G.; Rijnders, G.; Houwman, E.
Title On the importance of the work function and electron carrier density of oxide electrodes for the functional properties of ferroelectric capacitors Type A1 Journal article
Year 2020 Publication Physica Status Solidi-Rapid Research Letters Abbreviated Journal Phys Status Solidi-R
Volume 14 Issue 14 Pages 1900520
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract It is important to understand the effect of the interfaces between the oxide electrode layers and the ferroelectric layer on the polarization response for optimizing the device performance of all-oxide ferroelectric devices. Herein, the effects of the oxide La0.07Ba0.93SnO3 (LBSO) as an electrode material in an PbZr0.52Ti0.48O3 (PZT) ferroelectric capacitor are compared with those of the more commonly used SrRuO3 (SRO) electrode. SRO (top)/PZT/SRO (bottom), SRO/PZT/LBSO, and SRO/PZT/2 nm SRO/LBSO devices are fabricated. Only marginal differences in crystalline properties, determined by X-ray diffraction and scanning transmission electron microscopy, are found. High-quality polarization loops are obtained, but with a much larger coercive field for the SRO/PZT/LBSO device. In contrast to the SRO/PZT/SRO device, the polarization decreases strongly with increasing field cycling. This fatigue problem can be remedied by inserting a 2 nm SRO layer between PZT and LBSO. It is argued that strongly increased charge injection into the PZT occurs at the bottom interface, because of the low PZT/LBSO interfacial barrier and the much lower carrier density in LBSO, as compared with that in SRO, causing a low dielectric constant, depleted layer in LBSO. The charge injection creates a trapped space charge in the PZT, causing the difference in fatigue behavior.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000506195600001 Publication Date 2019-12-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1862-6254 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.8 Times cited 6 Open Access OpenAccess
Notes ; This work was supported by Nederlandse Organisatie voor Wetenschappelijk Onderzoek through grant no.13HTSM01. ; Approved Most recent IF: 2.8; 2020 IF: 3.032
Call Number UA @ admin @ c:irua:165681 Serial 6316
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Author Wang, Y.; Belén Serrano, A.; Sentosun, K.; Bals, S.; Liz-Marzán, L.M.
Title Stabilization and encapsulation of gold nanostars mediated by dithiols Type A1 Journal article
Year 2015 Publication Small Abbreviated Journal Small
Volume 11 Issue 11 Pages 4314-4320
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Surface chemistry plays a pivotal role in regulating the morphology of nanoparticles, maintaining colloidal stability, and mediating the interaction with target analytes toward practical applications such as surface-enhanced Raman scattering (SERS)-based sensing and imaging. The use of a binary ligand mixture composed of 1,4-benzenedithiol (BDT) and hexadecyltrimethylammonium chloride (CTAC) to provide gold nanostars with long-term stability is reported. This is despite BDT being a bifunctional ligand, which usually leads to bridging and loss of colloidal stability. It is found however that neither BDT nor CTAC alone are able to provide sufficient colloidal and chemical stability. BDT-coated Au nanostars are additionally used as seeds to direct the encapsulation with a gold outer shell, leading to the formation of unusual nanostructures including semishell-coated gold nanostars, which are characterized by high-resolution electron microscopy and electron tomography. Finally, BDT is exploited as a probe to reveal the enhanced local electric fields in the different nanostructures, showing that the semishell configuration provides significantly high SERS signals as compared to other coreshell configurations obtained during seeded growth, including full shells.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000360852900009 Publication Date 2015-06-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1613-6810; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.643 Times cited 36 Open Access OpenAccess
Notes 267867 Plasmaquo; 335078 Colouratom; 262348 Esmi; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 8.643; 2015 IF: 8.368
Call Number c:irua:127571 Serial 3136
Permanent link to this record
 

 
Author Zheng, G.; de Marchi, S.; Lopez-Puente, V.; Sentosun, K.; Polavarapu, L.; Perez-Juste, I.; Hill, E.H.; Bals, S.; Liz-Marzan, L.M.; Pastoriza-Santos, I.; Perez-Juste, J.
Title Encapsulation of Single Plasmonic Nanoparticles within ZIF-8 and SERS Analysis of the MOF Flexibility Type A1 Journal article
Year 2016 Publication Small Abbreviated Journal Small
Volume 12 Issue 12 Pages 3935-3943
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Hybrid nanostructures composed of metal nanoparticles and metal-organic frameworks (MOFs) have recently received increasing attention toward various applications due to the combination of optical and catalytic properties of nanometals with the large internal surface area, tunable crystal porosity and unique chemical properties of MOFs. Encapsulation of metal nanoparticles of well-defined shapes into porous MOFs in a core-shell type configuration can thus lead to enhanced stability and selectivity in applications such as sensing or catalysis. In this study, the encapsulation of single noble metal nanoparticles with arbitrary shapes within zeolitic imidazolate-based metal organic frameworks (ZIF-8) is demonstrated. The synthetic strategy is based on the enhanced interaction between ZIF-8 nanocrystals and metal nanoparticle surfaces covered by quaternary ammonium surfactants. High resolution electron microscopy and tomography confirm a complete core-shell morphology. Such a well-defined morphology allowed us to study the transport of guest molecules through the ZIF-8 porous shell by means of surface-enhanced Raman scattering by the metal cores. The results demonstrate that even molecules larger than the ZIF-8 aperture and pore size may be able to diffuse through the framework and reach the metal core.
Address Departamento de Quiimica Fisica, Universidade de Vigo, 36310, Vigo, Spain
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000383375500006 Publication Date 2016-06-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1613-6810 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.643 Times cited 140 Open Access OpenAccess
Notes This work was supported by the Spanish Ministerio de Economía y Competitividad (MAT2013-45168-R) and the Xunta de Galicia/FEDER (Grant No. GPC2013-006; INBIOMED-FEDER “Unha maneira de facer Europa”). L.M.L.-M. acknowledges funding from the European Union’s Seventh Framework Programme (FP7/2007-2013 under grant agreement No. 312184, SACS). S.B. acknowledges financial support from European Research Council (ERC) (ERC Starting Grant No. 335078-COLOURATOM). The authors thank Prof. Paolo Fornasiero for the nitrogen adsorption measurements. E.H.H. acknowledges the Spanish MINECO for a Juan de la Cierva fellowship. S.D.M. acknowledges the support from CsF/CNPq-Brazil fellowship.; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 8.643
Call Number c:irua:133953 Serial 4083
Permanent link to this record
 

 
Author Nord, M.; Semisalova, A.; Kákay, A.; Hlawacek, G.; MacLaren, I.; Liersch, V.; Volkov, O.M.; Makarov, D.; Paterson, G.W.; Potzger, K.; Lindner, J.; Fassbender, J.; McGrouther, D.; Bali, R.
Title Strain Anisotropy and Magnetic Domains in Embedded Nanomagnets Type A1 Journal article
Year 2019 Publication Small Abbreviated Journal Small
Volume Issue Pages 1904738
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Nanoscale modifications of strain and magnetic anisotropy can open pathways to engineering magnetic domains for device applications. A periodic magnetic domain structure can be stabilized in sub‐200 nm wide linear as well as curved magnets, embedded within a flat non‐ferromagnetic thin film. The nanomagnets are produced within a non‐ferromagnetic B2‐ordered Fe60Al40 thin film, where local irradiation by a focused ion beam causes the formation of disordered and strongly ferromagnetic regions of A2 Fe60Al40. An anisotropic lattice relaxation is observed, such that the in‐plane lattice parameter is larger when measured parallel to the magnet short‐axis as compared to its length. This in‐plane structural anisotropy manifests a magnetic anisotropy contribution, generating an easy‐axis parallel to the short axis. The competing effect of the strain and shape anisotropies stabilizes a periodic domain pattern in linear as well as spiral nanomagnets, providing a versatile and geometrically controllable path to engineering the strain and thereby the magnetic anisotropy at the nanoscale.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000495563400001 Publication Date 2019-11-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1613-6810 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.643 Times cited 2 Open Access
Notes Deutsche Forschungsgemeinschaft, BA5656/1‐1 ; Engineering and Physical Sciences Research Council, EP/M009963/1 ; Approved Most recent IF: 8.643
Call Number EMAT @ emat @c:irua:164059 Serial 5376
Permanent link to this record
 

 
Author Mychinko, M.; Skorikov, A.; Albrecht, W.; Sánchez‐Iglesias, A.; Zhuo, X.; Kumar, V.; Liz‐Marzán, L.M.; Bals, S.
Title The Influence of Size, Shape, and Twin Boundaries on Heat‐Induced Alloying in Individual Au@Ag Core–Shell Nanoparticles Type A1 Journal article
Year 2021 Publication Small Abbreviated Journal Small
Volume Issue Pages 2102348
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Environmental conditions during real-world application of bimetallic core–shell nanoparticles (NPs) often include the use of elevated temperatures, which are known to cause elemental redistribution, in turn significantly altering the properties of these nanomaterials. Therefore, a thorough understanding of such processes is of great importance. The recently developed combination of fast electron tomography with in situ heating holders is a powerful approach to investigate heat-induced processes at the single NP level, with high spatial resolution in 3D. In combination with 3D finite-difference diffusion simulations, this method can be used to disclose the influence of various NP parameters on the diffusion dynamics in Au@Ag core–shell systems. A detailed study of the influence of heating on atomic diffusion and alloying for Au@Ag NPs with varying core morphology and crystallographic details is carried out. Whereas the core shape and aspect ratio of the NPs play a minor role, twin boundaries are found to have a strong influence on the elemental diffusion.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000673326600001 Publication Date 2021-07-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1613-6810 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.643 Times cited 8 Open Access OpenAccess
Notes The funding for this project was provided by European Research Council (ERC Consolidator Grant 815128, REALNANO) and European Commission (grant 731019, EUSMI and grant 26019, ESTEEM). This work was performed under the Maria de Maeztu Units of Excellence Programme-Grant No. MDM-2017-0720, Ministry of Science and Innovation.; sygmaSB Approved Most recent IF: 8.643
Call Number EMAT @ emat @c:irua:179856 Serial 6804
Permanent link to this record
 

 
Author Marchetti, A.; Gori, A.; Ferretti, A.M.; Esteban, D.A.; Bals, S.; Pigliacelli, C.; Metrangolo, P.
Title Templated Out‐of‐Equilibrium Self‐Assembly of Branched Au Nanoshells Type A1 Journal article
Year 2023 Publication Small Abbreviated Journal
Volume Issue Pages 2206712
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Out-of-equilibrium self-assembly of metal nanoparticles (NPs) has been devised using different types of strategies and fuels, but the achievement of finite 3D structures with a controlled morphology through this assembly mode is still rare. Here we used a spherical peptide-gold superstructure (PAuSS) as a template to control the out-of-equilibrium self-assembly of Au NPs, obtaining a transient 3D branched Au-nanoshell (BAuNS) stabilized by sodium dodecyl sulphate (SDS). The BAuNS dismantled upon concentration gradient equilibration over time in the solution, leading to NPs disassembly. Notably, BAuNS assembly and disassembly favoured temporary interparticle plasmonic coupling, leading to a remarkable oscillation of their optical properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000914725800001 Publication Date 2023-01-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1613-6810 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.3 Times cited 1 Open Access OpenAccess
Notes European Research Council, ERC‐2017‐PoC MINIRES 789815 ERC‐2012‐StG_20111012 FOLDHALO 307108 815128 ; Approved Most recent IF: 13.3; 2023 IF: 8.643
Call Number EMAT @ emat @c:irua:194299 Serial 7247
Permanent link to this record
 

 
Author Marchetti, A.; Gori, A.; Ferretti, A.M.; Esteban, D.A.; Bals, S.; Pigliacelli, C.; Metrangolo, P.
Title Templated Out‐of‐Equilibrium Self‐Assembly of Branched Au Nanoshells (Small 12/2023) Type A1 Journal Article
Year 2023 Publication Small Abbreviated Journal Small
Volume 19 Issue 12 Pages
Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Abstract Out-of-equilibrium self-assembly of metal nanoparticles (NPs) has been devised using different

types of strategies and fuels, but the achievement of finite 3D structures with a controlled

morphology through this assembly mode is still rare. Here we used a spherical peptide-gold

superstructure (PAuSS) as a template to control the out-of-equilibrium self-assembly of Au NPs,

obtaining a transient 3D branched Au-nanoshell (BAuNS) stabilized by sodium dodecyl sulphate

(SDS). The BAuNS dismantled upon concentration gradient equilibration over time in the solution,

leading to NPs disassembly. Notably, BAuNS assembly and disassembly favoured temporary

interparticle plasmonic coupling, leading to a remarkable oscillation of their optical properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2023-03-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1613-6810 ISBN Additional Links UA library record
Impact Factor 13.3 Times cited Open Access Not_Open_Access
Notes P.M. is grateful to the European Research Council (ERC) for the Starting Grant ERC-2012- StG_20111012 FOLDHALO (Grant Agreement no. 307108) and the Proof-of-Concept Grant ERC-2017-PoC MINIRES (Grant Agreement no.789815). A. M. and P. M. are thankful to the project Hydrogex funded by Cariplo Foundation (grant no. 2018-1720). D.A.E. and S.B. acknowledges financial support from ERC Consolidator Grant Number 815128 REALNANO and Grant Agreement No. 731019 (EUSMI). Approved Most recent IF: 13.3; 2023 IF: 8.643
Call Number EMAT @ emat @c:irua:200859 Serial 8960
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Author De Backer, A.; Zhang, Z.; van den Bos, K.H.W.; Bladt, E.; Sánchez‐Iglesias, A.; Liz‐Marzán, L.M.; Nellist, P.D.; Bals, S.; Van Aert, S.
Title Element Specific Atom Counting at the Atomic Scale by Combining High Angle Annular Dark Field Scanning Transmission Electron Microscopy and Energy Dispersive X‐ray Spectroscopy Type A1 Journal article
Year 2022 Publication Small methods Abbreviated Journal Small Methods
Volume Issue Pages 2200875
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract A new methodology is presented to count the number of atoms in multimetallic nanocrystals by combining energy dispersive X-ray spectroscopy (EDX) and high angle annular dark field scanning transmission electron microscopy (HAADF STEM). For this purpose, the existence of a linear relationship between the incoherent HAADF STEM and EDX images is exploited. Next to the number of atoms for each element in the atomic columns, the method also allows quantification of the error in the obtained number of atoms, which is of importance given the noisy nature of the acquired EDX signals. Using experimental images of an Au@Ag core–shell nanorod, it is demonstrated that 3D structural information can be extracted at the atomic scale. Furthermore, simulated data of an Au@Pt core–shell nanorod show the prospect to characterize heterogeneous nanostructures with adjacent atomic numbers.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000862072700001 Publication Date 2022-09-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2366-9608 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.4 Times cited 5 Open Access OpenAccess
Notes This work was supported by the European Research Council (Grant 770887 PICOMETRICS to S.V.A., Grant 815128 REALNANO to S.B., 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 a postdoctoral grant to A.D.B.; esteem3reported; esteem3JRA Approved Most recent IF: 12.4
Call Number EMAT @ emat @c:irua:191570 Serial 7109
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Author Brognara, A.; Kashiwar, A.; Jung, C.; Zhang, X.; Ahmadian, A.; Gauquelin, N.; Verbeeck, J.; Djemia, P.; Faurie, D.; Dehm, G.; Idrissi, H.; Best, J.P.; Ghidelli, M.
Title Tailoring mechanical properties and shear band propagation in ZrCu metallic glass nanolaminates through chemical heterogeneities and interface density Type A1 Journal article
Year 2024 Publication Small Structures Abbreviated Journal
Volume Issue Pages 2400011-11
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The design of high‐performance structural thin films consistently seeks to achieve a delicate equilibrium by balancing outstanding mechanical properties like yield strength, ductility, and substrate adhesion, which are often mutually exclusive. Metallic glasses (MGs) with their amorphous structure have superior strength, but usually poor ductility with catastrophic failure induced by shear bands (SBs) formation. Herein, we introduce an innovative approach by synthesizing MGs characterized by large and tunable mechanical properties, pioneering a nanoengineering design based on the control of nanoscale chemical/structural heterogeneities. This is realized through a simplified model Zr 24 Cu 76 /Zr 61 Cu 39 , fully amorphous nanocomposite with controlled nanoscale periodicity ( Λ , from 400 down to 5 nm), local chemistry, and glass–glass interfaces, while focusing in‐depth on the SB nucleation/propagation processes. The nanolaminates enable a fine control of the mechanical properties, and an onset of crack formation/percolation (>1.9 and 3.3%, respectively) far above the monolithic counterparts. Moreover, we show that SB propagation induces large chemical intermixing, enabling a brittle‐to‐ductile transition when Λ  ≤ 50 nm, reaching remarkably large plastic deformation of 16% in compression and yield strength ≈2 GPa. Overall, the nanoengineered control of local heterogeneities leads to ultimate and tunable mechanical properties opening up a new approach for strong and ductile materials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2024-05-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2688-4062 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:205798 Serial 9176
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