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| Author | Chinnabathini, V.C.; Dingenen, F.; Borah, R.; Abbas, I.; van der Tol, J.; Zarkua, Z.; D'Acapito, F.; Nguyen, T.H.T.; Lievens, P.; Grandjean, D.; Verbruggen, S.W.; Janssens, E. | ||||
| Title | Gas phase deposition of well-defined bimetallic gold-silver clusters for photocatalytic applications | Type | A1 Journal article | ||
| Year | 2023 | Publication | Nanoscale | Abbreviated Journal  |
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| Volume | 15 | Issue | 14 | Pages | 6696-6708 |
| Keywords | A1 Journal article; Engineering sciences. Technology | ||||
| Abstract | Cluster beam deposition is employed for fabricating well-defined bimetallic plasmonic photocatalysts to enhance their activity while facilitating a more fundamental understanding of their properties. AuxAg1-x clusters with compositions (x = 0, 0.1, 0.3, 0.5, 0.7, 0.9 and 1) spanning the metals' miscibility range were produced in the gas-phase and soft-landed on TiO2 P25-coated silicon wafers with an optimal coverage of 4 atomic monolayer equivalents. Electron microscopy images show that at this coverage most clusters remain well dispersed whereas EXAFS data are in agreement with the finding that the deposited clusters have an average size of ca. 5 nm and feature the same composition as the ablated alloy targets. A composition-dependant electron transfer from Au to Ag that is likely to impart chemical stability to the bimetallic clusters and protect Ag atoms against oxidation is additionally evidenced by XPS and XANES. Under simulated solar light, AuxAg1-x clusters show a remarkable composition-dependent volcano-type enhancement of their photocatalytic activity towards degradation of stearic acid, a model compound for organic fouling on surfaces. The Formal Quantum Efficiency (FQE) is peaking at the Au0.3Ag0.7 composition with a value that is twice as high as that of the pristine TiO2 P25 under solar simulator. Under UV the FQE of all compositions remains similar to that of pristine TiO2. A classical electromagnetic simulation study confirms that among all compositions Au0.3Ag0.7 features the largest near-field enhancement in the wavelength range of maximal solar light intensity, as well as sufficient individual photon energy resulting in a better photocatalytic self-cleaning activity. This allows ascribing the mechanism for photocatalysis mostly to the plasmonic effect of the bimetallic clusters through direct electron injection and near-field enhancement from the resonant cluster towards the conduction band of TiO2. These results not only demonstrate the added value of using well-defined bimetallic nanocatalysts to enhance their photocatalytic activity but also highlights the potential of the cluster beam deposition to design tailored noble metal modified photocatalytic surfaces with controlled compositions and sizes without involving potentially hazardous chemical agents. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000968631100001 | Publication Date | 2023-03-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2040-3364; 2040-3372 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.7 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 6.7; 2023 IF: 7.367 | |||
| Call Number | UA @ admin @ c:irua:196040 | Serial | 7988 | ||
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| Author | Torun, E.; Paleari, F.; Milošević, M.V.; Wirtz, L.; Sevik, C. | ||||
| Title | Intrinsic control of interlayer exciton generation in Van der Waals materials via Janus layers | Type | A1 Journal article | ||
| Year | 2023 | Publication | Nano letters | Abbreviated Journal |
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| Volume | 23 | Issue | 8 | Pages | 3159-3166 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | We demonstrate the possibility of engineering the optical properties of transition metal dichalcogenide heterobilayers when one of the constitutive layers has a Janus structure. We investigate different MoS2@Janus layer combinations using first-principles methods including excitons and exciton-phonon coupling. The direction of the intrinsic electric field from the Janus layer modifies the electronic band alignments and, consequently, the energy separation between dark interlayer exciton states and bright in-plane excitons. We find that in-plane lattice vibrations strongly couple the two states, so that exciton-phonon scattering may be a viable generation mechanism for interlayer excitons upon light absorption. In particular, in the case of MoS2@WSSe, the energy separation of the low-lying interlayer exciton from the in-plane exciton is resonant with the transverse optical phonon modes (40 meV). We thus identify this heterobilayer as a prime candidate for efficient generation of charge-separated electron-hole pairs. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000969732100001 | Publication Date | 2023-04-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1530-6984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 10.8 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 10.8; 2023 IF: 12.712 | |||
| Call Number | UA @ admin @ c:irua:196034 | Serial | 8118 | ||
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| Author | Biondo, O.; Hughes, A.; van der Steeg, A.; Maerivoet, S.; Loenders, B.; van Rooij, G.; Bogaerts, A. | ||||
| Title | Power concentration determined by thermodynamic properties in complex gas mixtures : the case of plasma-based dry reforming of methane | Type | A1 Journal article | ||
| Year | 2023 | Publication | Plasma sources science and technology | Abbreviated Journal |
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| Volume | 32 | Issue | 4 | Pages | 045001-45020 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | We investigate discharge contraction in a microwave plasma at sub-atmospheric pressure, operating in CO2 and CO2/CH4 mixtures. The rise of the electron number density with plasma contraction intensifies the gas heating in the core of the plasma. This, in turn, initiates fast core-periphery transport and defines the rate of thermal chemistry over plasma chemistry. In this context, power concentration describes the overall mechanism including plasma contraction and chemical kinetics. In a complex chemistry such as dry reforming of methane, transport of reactive species is essential to define the performance of the reactor and achieve the desired outputs. Thus, we couple experimental observations and thermodynamic calculations for model validation and understanding of reactor performance. Adding CH4 alters the thermodynamic properties of the mixture, especially the reactive component of the heat conductivity. The increase in reactive heat conductivity increases the pressure at which plasma contraction occurs, because higher rates of gas heating are required to reach the same temperature. In addition, we suggest that the predominance of heat conduction over convection is a key condition to observe the effect of heat conductivity on gas temperature. | ||||
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| Language | Wos | 000963579500001 | Publication Date | 2023-03-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0963-0252 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.8 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 3.8; 2023 IF: 3.302 | |||
| Call Number | UA @ admin @ c:irua:196044 | Serial | 8397 | ||
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| Author | Yang, T.; Kong, Y.; Li, K.; Lu, Q.; Wang, Y.; Du, Y.; Schryvers, D. | ||||
| Title | Quasicrystalline clusters transformed from C14-MgZn₂ nanoprecipitates in Al alloys | Type | A1 Journal article | ||
| Year | 2023 | Publication | Materials characterization | Abbreviated Journal |
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| Volume | 199 | Issue | Pages | 112772-112777 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Ultrafine faulty C14-MgZn2 Laves phase precipitates containing quasicrystalline clusters and demonstrating the formation of binary quasicrystalline precipitates with Penrose-like random-tiling were observed in the over-aged FCC matrix of a commercial 7N01 Al-Zn-Mg alloy, using high angle annular dark field scanning transmission electron microscopy. The evolution from C14-Laves phase to quasicrystalline clusters is illustrated, and five-fold symmetry can be found in both real and reciprocal spaces. Our findings reveal the possibility of quasicrystalline formation from Laves phase in a highly plastic metal matrix like Al and demonstrate the structural relationship between Laves phase and quasicrystals. | ||||
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| Language | Wos | 000954788800001 | Publication Date | 2023-03-02 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1044-5803 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.7 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 4.7; 2023 IF: 2.714 | |||
| Call Number | UA @ admin @ c:irua:196106 | Serial | 8446 | ||
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| Author | Cui, Z.; Zhou, C.; Jafarzadeh, A.; Zhang, X.; Hao, Y.; Li, L.; Bogaerts, A. | ||||
| Title | SF₆ degradation in γ-Al₂O₃ packed DBD system : effects of hydration, reactive gases and plasma-induced surface charges | Type | A1 Journal article | ||
| Year | 2023 | Publication | Plasma chemistry and plasma processing | Abbreviated Journal |
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| Volume | 43 | Issue | Pages | 635-656 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Packed-bed DBD (PB-DBD) plasmas hold promise for effective degradation of greenhouse gases like SF6. In this work, we conducted a combined experimental and theoretical study to investigate the effect of the packing surface structure and the plasma surface discharge on the SF6 degradation in a gamma-Al2O3 packing DBD system. Experimental results show that both the hydration effect of the surface (upon moisture) and the presence of excessive reactive gases in the plasma can significantly reduce the SF6 degradation, but they hardly change the discharge behavior. DFT results show that the pre-adsorption of species such as H, OH, H2O and O-2 can occupy the active sites (Al-III site) which negatively impacts the SF6 adsorption. H2O molecules pre-adsorbed at neighboring sites can promote the activation of SF6 molecules and lower the reaction barrier for the S-F bond-breaking process. Surface-induced charges and local external electric fields caused by the plasma can both improve the SF6 adsorption and enhance the elongation of the S-F bonds. Our results indicate that both the surface structure of the packing material and the plasma surface discharge are crucial for SF6 degradation performance, and the packing beads should be kept dry during the degradation. This work helps to understand the underlying mechanisms of SF6 degradation in a PB-DBD system. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000966639200001 | Publication Date | 2023-04-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0272-4324 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.6 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 3.6; 2023 IF: 2.355 | |||
| Call Number | UA @ admin @ c:irua:196033 | Serial | 8516 | ||
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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 |
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| 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 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| 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 | Byrnes, I.; Rossbach, L.M.; Brede, D.A.; Grolimund, D.; Sanchez, D.F.; Nuyts, G.; Cuba, V.; Reinoso-Maset, E.; Salbu, B.; Janssens, K.; Oughton, D.; Scheibener, S.; Teien, H.-C.; Lind, O.C. | ||||
| Title | Synchrotron-based X-ray fluorescence imaging elucidates uranium toxicokinetics in Daphnia magna | Type | A1 Journal article | ||
| Year | 2023 | Publication | ACS nano | Abbreviated Journal |
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| Volume | 17 | Issue | 6 | Pages | 5296-5305 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Antwerp X-ray Imaging and Spectroscopy (AXIS) | ||||
| Abstract | A combination of synchrotron-based elemental anal-ysis and acute toxicity tests was used to investigate the biodistribution and adverse effects in Daphnia magna exposed to uranium nanoparticle (UNP, 3-5 nm) suspensions or to uranium reference (Uref) solutions. Speciation analysis revealed similar size distributions between exposures, and toxicity tests showed com-parable acute effects (UNP LC50: 402 mu g L-1 [336-484], Uref LC50: 268 mu g L-1 [229-315]). However, the uranium body burden was 3 -to 5-fold greater in UNP-exposed daphnids, and analysis of survival as a function of body burden revealed a similar to 5-fold higher specific toxicity from the Uref exposure. High-resolution X-ray fluorescence elemental maps of intact, whole daphnids from sublethal, acute exposures of both treatments revealed high uranium accumulation onto the gills (epipodites) as well as within the hepatic ceca and the intestinal lumen. Uranium uptake into the hemolymph circulatory system was inferred from signals observed in organs such as the heart and the maxillary gland. The substantial uptake in the maxillary gland and the associated nephridium suggests that these organs play a role in uranium removal from the hemolymph and subsequent excretion. Uranium was also observed associated with the embryos and the remnants of the chorion, suggesting uptake in the offspring. The identification of target organs and tissues is of major importance to the understanding of uranium and UNP toxicity and exposure characterization that should ultimately contribute to reducing uncertainties in related environmental impact and risk assessments. | ||||
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| Language | Wos | 000960129800001 | Publication Date | 2023-03-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1936-0851 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 17.1 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 17.1; 2023 IF: 13.942 | |||
| Call Number | UA @ admin @ c:irua:196061 | Serial | 8631 | ||
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| Author | Tsonev, I.; Boothroyd, J.; Kolev, S.; Bogaerts, A. | ||||
| Title | Simulation of glow and arc discharges in nitrogen: effects of the cathode emission mechanisms | Type | A1 Journal Article | ||
| Year | 2023 | Publication | PLASMA SOURCES SCIENCE & TECHNOLOGY | Abbreviated Journal |
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| Volume | 32 | Issue | 5 | Pages | 054002 |
| Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | Experimental evidence in the literature has shown that low-current direct current nitrogen discharges can exist in both glow and arc regimes at atmospheric pressure. However, modelling investigations of the positive column that include the influence of the cathode phenomena are scarce. In this work we developed a 2D axisymmetric model of a plasma discharge in flowing nitrogen gas, studying the influence of the two cathode emission mechanisms—thermionic field emission and secondary electron emission—on the cathode region and the positive column. We show for an inlet gas flow velocity of 1 m s<sup>−1</sup>in the current range of 80–160 mA, that the electron emission mechanism from the cathode greatly affects the size and temperature of the cathode region, but does not significantly influence the discharge column at atmospheric pressure. We also demonstrate that in the discharge column the electron density balance is local and the electron production and destruction is dominated by volume processes. With increasing flow velocity, the discharge contraction is enhanced due to the increased convective heat loss. The cross sectional area of the conductive region is strongly dependent on the gas velocity and heat conductivity of the gas. | ||||
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| Language | Wos | 000987841800001 | Publication Date | 2023-05-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0963-0252 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 3.8 | Times cited | Open Access | Not_Open_Access | |
| Notes | This research is financially supported by the European Union’s Horizon 2020 research and innovation programme under Grant Agreement No. 965546. | Approved | Most recent IF: 3.8; 2023 IF: 3.302 | ||
| Call Number | PLASMANT @ plasmant @c:irua:196972 | Serial | 8788 | ||
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| Author | Gauquelin, N.; Forte, F.; Jannis, D.; Fittipaldi, R.; Autieri, C.; Cuono, G.; Granata, V.; Lettieri, M.; Noce, C.; Miletto-Granozio, F.; Vecchione, A.; Verbeeck, J.; Cuoco, M. | ||||
| Title | Pattern Formation by Electric-Field Quench in a Mott Crystal | Type | A1 Journal article | ||
| Year | 2023 | Publication | Nano letters | Abbreviated Journal |
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| Volume | Issue | Pages | |||
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The control of Mott phase is intertwined with the spatial reorganization of the electronic states. Out-of-equilibrium driving forces typically lead to electronic patterns that are absent at equilibrium, whose nature is however often elusive. Here, we unveil a nanoscale pattern formation in the Ca2 RuO4 Mott insulator. We demonstrate how an applied electric field spatially reconstructs the insulating phase that, uniquely after switching off the electric field, exhibits nanoscale stripe domains. The stripe pattern has regions with inequivalent octahedral distortions that we directly observe through high-resolution scanning transmission electron microscopy. The nanotexture depends on the orientation of the electric field, it is non-volatile and rewritable. We theoretically simulate the charge and orbital reconstruction induced by a quench dynamics of the applied electric field providing clear-cut mechanisms for the stripe phase formation. Our results open the path for the design of non-volatile electronics based on voltage-controlled nanometric phases. |
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| Language | Wos | 001012061600001 | Publication Date | 2023-05-18 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1530-6984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 10.8 | Times cited | 2 | Open Access | OpenAccess |
| Notes | This project has received funding from the European Union’s Horizon 2020 research and innova- tion programme under grant agreement No 823717 – ESTEEM3. The Merlin camera used in the experiment received funding from the FWO-Hercules fund G0H4316N ’Direct electron detector 15for soft matter TEM’. C. A. and G. C. are supported by the Foundation for Polish Science through the International Research Agendas program co-financed by the European Union within the Smart Growth Operational Programme. C. A. and G. C. acknowledge the access to the computing facil- ities of the Interdisciplinary Center of Modeling at the University of Warsaw, Grant No. GB84-0, GB84-1 and GB84-7 and GB84-7 and Poznan Supercomputing and Networking Center Grant No. 609.. C. A. and G. C. acknowledge the CINECA award under the ISCRA initiative IsC85 “TOP- MOST” Grant, for the availability of high-performance computing resources and support. We acknoweldge A. Guarino and C. Elia for providing support about the electrical characterization of the sample. M.C., R.F., and A.V. acknowledge support from the EU’s Horizon 2020213 research and innovation program under Grant Agreement No. 964398 (SUPERGATE). | Approved | Most recent IF: 10.8; 2023 IF: 12.712 | ||
| Call Number | EMAT @ emat @c:irua:196970 | Serial | 8789 | ||
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| Author | Samal, D.; Gauquelin, N.; Takamura, Y.; Lobato, I.; Arenholz, E.; Van Aert, S.; Huijben, M.; Zhong, Z.; Verbeeck, J.; Van Tendeloo, G.; Koster, G. | ||||
| Title | Unusual structural rearrangement and superconductivity in infinite layer cuprate superlattices | Type | A1 Journal article | ||
| Year | 2023 | Publication | Physical review materials | Abbreviated Journal |
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| Volume | 7 | Issue | 5 | Pages | 054803 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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| Language | Wos | 001041792100007 | Publication Date | 2023-05-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2475-9953 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 3.4 | Times cited | Open Access | OpenAccess | |
| Notes | Air Force Office of Scientific Research; European Office of Aerospace Research and Development, FA8655-10-1-3077 ; Office of Science, DE-AC02-05CH11231 ; National Science Foundation, DMR-1745450 ; Seventh Framework Programme, 278510 ; Bijzonder Onderzoeksfonds UGent; | Approved | Most recent IF: 3.4; 2023 IF: NA | ||
| Call Number | EMAT @ emat @c:irua:196973 | Serial | 8790 | ||
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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 |
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| 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 | |
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| 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 | Tampieri, F.; Espona-Noguera, A.; Labay, C.; Ginebra, M.-P.; Yusupov, M.; Bogaerts, A.; Canal, C. | ||||
| Title | Does non-thermal plasma modify biopolymers in solution? A chemical and mechanistic study for alginate | Type | A1 Journal Article | ||
| Year | 2023 | Publication | Biomaterials Science | Abbreviated Journal |
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| Volume | Issue | Pages | |||
| Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | In the last decades, non-thermal plasma has been extensively investigated as a relevant tool for various biomedical applications, ranging from tissue decontamination to regeneration and from skin treatment to tumor therapies. This high versatility is due to the different kinds and amount of reactive oxygen and nitrogen species that can be generated during a plasma treatment and put in contact with the biological target. Some recent studies report that solutions of biopolymers with the ability to generate hydrogels, when treated with plasma, can enhance the generation of reactive species and influence their stability, resulting thus in the ideal media for indirect treatments of biological targets. The direct effects of the plasma treatment on the structure of biopolymers in water solution, as well as the chemical mechanisms responsible for the enhanced generation of RONS, are not yet fully understood. In this study, we aim at filling this gap by investigating, on the one hand, the nature and extent of the modifications induced by plasma treatment in alginate solutions, and, on the other hand, at using this information to explain the mechanisms responsible for the enhanced generation of reactive species as a consequence of the treatment. The approach we use is twofold: (i) investigating the effects of plasma treatment on alginate solutions, by size exclusion chromatography, rheology and scanning electron microscopy and (ii) study of a molecular model (glucuronate) sharing its chemical structure, by chromatography coupled with mass spectrometry and by molecular dynamics simulations. Our results point out the active role of the biopolymer chemistry during direct plasma treatment. Short-lived reactive species, such as OH radicals and O atoms, can modify the polymer structure, affecting its functional groups and causing partial fragmentation. Some of these chemical modifications, like the generation of organic peroxide, are likely responsible for the secondary generation of long-lived reactive species such as hydrogen peroxide and nitrite ions. This is relevant in view of using biocompatible hydrogels as vehicles for storage and delivery reactive species for targeted therapies. | ||||
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| Language | Wos | 000973699000001 | Publication Date | 2023-04-11 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 2047-4830 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.6 | Times cited | Open Access | Not_Open_Access | |
| Notes | Agència de Gestió d’Ajuts Universitaris i de Recerca, SGR2022-1368 ; H2020 European Research Council, 714793 ; European Cooperation in Science and Technology, CA19110 CA20114 ; Secretaría de Estado de Investigación, Desarrollo e Innovación, PID2019-103892RB-I00/AEI/10.13039/501100011033 ; We thank Gonzalo Rodríguez Cañada and Xavier Solé-Martí (Universitat Politècnica de Catalunya) for help in collecting some of the experimental data and for the useful discussions. This work has been primarily funded by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement no. 714793). The authors acknowledge MINECO for PID2019103892RB-I00/AEI/10.13039/501100011033 project (CC). The authors belong to SGR2022-1368 (FT, AEN, CL, MPG, CC) and acknowledge Generalitat de Catalunya for the ICREA Academia Award for Excellence in Research of CC. We thank also COST Actions CA20114 (Therapeutical Applications of Cold Plasmas) and CA19110 (Plasma Applications for Smart and Sustainable Agriculture) for the stimulating environment provided. | Approved | Most recent IF: 6.6; 2023 IF: 4.21 | ||
| Call Number | PLASMANT @ plasmant @c:irua:196773 | Serial | 8794 | ||
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| Author | Saniz, R.; Baldinozzi, G.; Arts, I.; Lamoen, D.; Leinders, G.; Verwerft, M. | ||||
| Title | Charge order, frustration relief, and spin-orbit coupling in U3O8 | Type | A1 Journal article | ||
| Year | 2023 | Publication | Physical review materials | Abbreviated Journal |
|
| Volume | 7 | Issue | 5 | Pages | 054410 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Research efforts on the description of the low-temperature magnetic order and electronic properties of U3O8 have been inconclusive so far. Reinterpreting neutron scattering results, we use group representation theory to show that the ground state presents collinear out-of-plane magnetic moments, with antiferromagnetic coupling both in-layer and between layers. Charge order relieves the initial geometric frustration, generating a slightly distorted honeycomb sublattice with Néel-type order. The precise knowledge of the characteristics of this magnetic ground state is then used to explain the fine features of the band gap. In this system, spin-orbit coupling (SOC) is of critical importance, as it strongly affects the electronic structure, narrowing the gap by ∼38%, compared to calculations neglecting SOC. The predicted electronic structure actually explains the salient features of recent optical absorption measurements, further demonstrating the excellent agreement between the calculated ground state properties and experiment. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001041429800007 | Publication Date | 2023-05-31 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2475-9953 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 3.4 | Times cited | Open Access | OpenAccess | |
| Notes | Financial support for this research was partly provided by the Energy Transition Fund of the Belgian FPS Economy (Project SF-CORMOD Spent Fuel CORrosion MODeling).Fonds Wetenschappelijk Onderzoek; Vlaams Supercomputer Centrum; Universiteit Antwerpen; Vlaamse regering; | Approved | Most recent IF: 3.4; 2023 IF: NA | ||
| Call Number | EMAT @ emat @c:irua:197043 | Serial | 8796 | ||
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| Author | Wang, J.; Zhang, K.; Mertens, M.; Bogaerts, A.; Meynen, V. | ||||
| Title | Plasma-based dry reforming of methane in a dielectric barrier discharge reactor: Importance of uniform (sub)micron packings/catalysts to enhance the performance | Type | A1 Journal Article | ||
| Year | 2023 | Publication | APPLIED CATALYSIS B-ENVIRONMENTAL | Abbreviated Journal |
|
| Volume | 337 | Issue | Pages | 122977 | |
| Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | This study presents new insights on the effect of (sub)micrometer particle sized materials in plasma-based CO2- CH4 reforming by investigating the performance of SiO2 spheres (with/without supported metal) of varying particle sizes. (Sub)micron particles synthesized through the St¨ober method were used instead of (sub)millimeter particles employed in previous studies. Increasing particle size (from 120 nm to 2390 nm) was found to first increase and then decrease conversion and energy yield, with optimal performance achieved using 740 nm 5 wt% Ni loaded SiO2, which improved CO2 and CH4 conversion, and energy yield to 44%, 55%, and 0.271 mmol/kJ, respectively, compared to 20%, 27%, and 0.116 mmol/kJ in an empty reactor at the same flow rate. This is the first to achieve significant performance improvement in a fully packed reactor, highlighting the importance of selecting a suitable particle size. The findings can offer guidance towards rational design of catalysts for plasmabased reactions. |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001056527600001 | Publication Date | 2023-06-09 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0926-3373 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 22.1 | Times cited | Open Access | Not_Open_Access | |
| Notes | This work is supported by the China Scholarship Council (No. 201806060123); and the VLAIO Catalisti transition project CO2PERATE (HBC.2017.0692). K.Z acknowledges the EASiCHEM project funded by the Flemish Strategic Basic Research Program of the Catalisti cluster and Flanders Innovation & Entrepreneurship (HBC.2018.0484). | Approved | Most recent IF: 22.1; 2023 IF: 9.446 | ||
| Call Number | PLASMANT @ plasmant @c:irua:196955 | Serial | 8797 | ||
| Permanent link to this record | |||||
| Author | Wang, J.; Zhang, K.; Mertens, M.; Bogaerts, A.; Meynen, V. | ||||
| Title | Plasma-based dry reforming of methane in a dielectric barrier discharge reactor: Importance of uniform (sub)micron packings/catalysts to enhance the performance | Type | A1 Journal Article | ||
| Year | 2023 | Publication | APPLIED CATALYSIS B-ENVIRONMENTAL | Abbreviated Journal |
|
| Volume | 337 | Issue | Pages | 122977 | |
| Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | This study presents new insights on the effect of (sub)micrometer particle sized materials in plasma-based CO2- CH4 reforming by investigating the performance of SiO2 spheres (with/without supported metal) of varying particle sizes. (Sub)micron particles synthesized through the St¨ober method were used instead of (sub)millimeter particles employed in previous studies. Increasing particle size (from 120 nm to 2390 nm) was found to first increase and then decrease conversion and energy yield, with optimal performance achieved using 740 nm 5 wt% Ni loaded SiO2, which improved CO2 and CH4 conversion, and energy yield to 44%, 55%, and 0.271 mmol/kJ, respectively, compared to 20%, 27%, and 0.116 mmol/kJ in an empty reactor at the same flow rate. This is the first to achieve significant performance improvement in a fully packed reactor, highlighting the importance of selecting a suitable particle size. The findings can offer guidance towards rational design of catalysts for plasmabased reactions. |
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001056527600001 | Publication Date | 2023-06-09 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0926-3373 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 22.1 | Times cited | Open Access | Not_Open_Access | |
| Notes | This work is supported by the China Scholarship Council (No. 201806060123); and the VLAIO Catalisti transition project CO2PERATE (HBC.2017.0692). K.Z acknowledges the EASiCHEM project funded by the Flemish Strategic Basic Research Program of the Catalisti cluster and Flanders Innovation & Entrepreneurship (HBC.2018.0484). | Approved | Most recent IF: 22.1; 2023 IF: 9.446 | ||
| Call Number | PLASMANT @ plasmant @c:irua:196955 | Serial | 8798 | ||
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| Author | Vertongen, R.; Bogaerts, A. | ||||
| Title | How important is reactor design for CO2 conversion in warm plasmas? | Type | A1 Journal Article | ||
| Year | 2023 | Publication | Journal of CO2 Utilization | Abbreviated Journal |
|
| Volume | 72 | Issue | Pages | 102510 | |
| Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | In this work, we evaluated several new electrode configurations for CO2 conversion in a gliding arc plasmatron (GAP) reactor. Although the reactor design influences the performance, the best results give only slightly higher CO2 conversion than the basic GAP reactor design, which indicates that this reactor may have reached its performance limits. Moreover, we compared our results to those of four completely different plasma reactors, also operating at atmospheric pressure and with contact between the plasma and the electrodes. Surprisingly, the performance of all these warm plasmas is very similar (CO2 conversion around 10 % for an energy efficiency around 30 %). In view of these apparent performance limits regarding the reactor design, we believe further improvements should focus on other aspects, such as the post-plasma-region where the implementation of nozzles or a carbon bed are promising. We summarize the performance of our GAP reactor by comparing the energy efficiency and CO2 conversion for all different plasma reactors reported in literature. We can conclude that the GAP is not the best plasma reactor, but its operation at atmospheric pressure makes it appealing for industrial application. We believe that future efforts should focus on process design, techno-economic assessments and large-scale demonstrations: these will be crucial to assess the real industrial potential of this warm plasma technology |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001024970900001 | Publication Date | 2023-06-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2212-9820 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.7 | Times cited | Open Access | Not_Open_Access | |
| Notes | We acknowledge financial support from the Fund for Scientific Research (FWO) Flanders (Grant ID 110221N) and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreements No 810182 – SCOPE ERC Synergy project and No. 101081162 — “PREPARE” ERC Proof of Concept project). We also thank I. Tsonev, P. Heirman, F. Girard-Sahun and G. Trenchev for the interesting discussions and practical help with the experiments, as well as J. Creel for his ideas on the inserted anode designs. | Approved | Most recent IF: 7.7; 2023 IF: 4.292 | ||
| Call Number | PLASMANT @ plasmant @c:irua:197044 | Serial | 8799 | ||
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| Author | Carrasco, S.; Orcajo, G.; Martínez, F.; Imaz, I.; Kavak, S.; Arenas-Esteban, D.; Maspoch, D.; Bals, S.; Calleja, G.; Horcajada, P. | ||||
| Title | Hf/porphyrin-based metal-organic framework PCN-224 for CO2 cycloaddition with epoxides | Type | A1 Journal article | ||
| Year | 2023 | Publication | Materials Today Advances | Abbreviated Journal |
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| Volume | 19 | Issue | Pages | 100390 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Herein, we describe for the first time the synthesis of the highly porous Hf-tetracarboxylate porphyrin-based metal-organic framework (MOF) (Hf)PCN-224(M) (M = H2, Co2+). (Hf)PCN-224(H2) was easily and efficiently prepared following a simple microwave-assisted procedure with good yields (56–67%; space-time yields: 1100–1270 kg m−3·day−1), high crystallinity and phase purity by using trifluoromethanesulfonic acid and benzoic acid as modulators in less than 30 min. By simply introducing a preliminary step (10 min), 5,10,15,20-(tetra-4-carboxyphenyl)porphyrin linker (TCPP) was quantitatively metalated with Co2+ without additional purification and/or time consuming protection/deprotection steps to further obtain (Hf)PCN-224(Co). (Hf)PCN-224(Co) was then tested as catalyst in CO2 cycloaddition reaction with different epoxides to yield cyclic carbonates, showing the best catalytic performance described to date compared to other PCNs, under mild conditions (1 bar CO2, room temperature, 18–24 h). Twelve epoxides were tested, obtaining from moderate to excellent conversions (35–96%). Moreover, this reaction was gram scaled-up (x50) without significant loss of yield to cyclic carbonates. (Hf)PCN-224(Co) maintained its integrity and crystallinity even after 8 consecutive runs, and poisoning was efficiently reverted by a simple thermal treatment (175 °C, 6 h), fully recovering the initial catalytic activity. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001025764000001 | Publication Date | 2023-06-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2590-0498 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 10 | Times cited | 1 | Open Access | OpenAccess |
| Notes | S.C. acknowledges the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie (MSCA-COFUND) grant agreement No 754382 (GOT Energy Talent). S.C. and P.H. acknowledge “Comunidad de Madrid” and European Regional Development Fund-FEDER 2014-2020-OE REACT-UE 1 for their financial support to VIRMOF-CM project associated to R&D projects in response to COVID-19. The authors acknowledge H2020-MSCA-ITN-2019 HeatNMof (ref. 860942), the M-ERA-NET C-MOF-cell (grant PCI2020-111998 funded by MCIN/AEI /10.13039/501100011033 and European Union NextGenerationEU/PRTR) project, and Retos Investigación MOFSEIDON (grant PID2019-104228RB-I00 funded by MCIN/AEI/10.13039/501100011033) project. This work has been also supported by the Regional Government of Madrid (Project ACES2030-CM, S2018/EMT-4319) and the Universidad Rey Juan Carlos IMPULSO Project (grant MATER M − 3000). S.K acknowledges the Flemish Fund for Scientific Research (FWO Vlaanderen) through a PhD research grant (1181122 N). | Approved | Most recent IF: 10; 2023 IF: NA | ||
| Call Number | EMAT @ emat @c:irua:197198 | Serial | 8800 | ||
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| Author | Muravev, V.; Parastaev, A.; van den Bosch, Y.; Ligt, B.; Claes, N.; Bals, S.; Kosinov, N.; Hensen, E.J.M. | ||||
| Title | Size of cerium dioxide support nanocrystals dictates reactivity of highly dispersed palladium catalysts | Type | A1 Journal article | ||
| Year | 2023 | Publication | Science | Abbreviated Journal |
|
| Volume | 380 | Issue | 6650 | Pages | 1174-1179 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The catalytic performance of heterogeneous catalysts can be tuned by modulation of the size and structure of supported transition metals, which are typically regarded as the active sites. In single-atom metal catalysts, the support itself can strongly affect the catalytic properties. Here, we demonstrate that the size of cerium dioxide (CeO2) support governs the reactivity of atomically dispersed palladium (Pd) in carbon monoxide (CO) oxidation. Catalysts with small CeO2 nanocrystals (~4 nanometers) exhibit unusually high activity in a CO-rich reaction feed, whereas catalysts with medium-size CeO2 (~8 nanometers) are preferred for lean conditions. Detailed spectroscopic investigations reveal support size–dependent redox properties of the Pd-CeO2 interface. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001010846100008 | Publication Date | 2023-06-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0036-8075 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 56.9 | Times cited | 22 | Open Access | OpenAccess |
| Notes | We thank the staff of the MAX IV Laboratory for time on beamline SPECIES under proposals 20200412 and 20190983; E. Kokkonen and A. Klyushin for assistance with NAP-XPS and RPES experiments conducted at SPECIES; staff of the MAX IV Laboratory for time on beamline BALDER under proposal 20200378; K. Klementiev for assistance with XAS measurements; J. Drnec at the ESRF for providing assistance in using beamline ID31; and V. Perez-Dieste and I. Villar Garcia at the CIRCE beamline at ALBA Synchrotron for help with acquiring preliminary RPES data obtained under proposal 2020024219. The synchrotron-based XRD measurements were performed on beamline ID31 at the European Synchrotron Radiation Facility (ESRF), Grenoble, France. Funding: This work was supported by the Netherlands Center for Multiscale Catalytic Energy Conversion (MCEC), a NWO Gravitation program funded by the Ministry of Education, Culture and Science of the Government of the Netherlands (V.M. and E.J.M.H.); the European Research Council (ERC consolidator grant 815128 REALNANO to S.B. and N.C.); and the European Union’s Horizon 2020 Research and Innovation Program (grant 823717–ESTEEM to S.B. and N.C). Research conducted at MAX IV, a Swedish national user facility, is supported by the Swedish Research council under contract 2018-07152, the Swedish Governmental Agency for Innovation Systems under contract 2018-04969, and Formas under contract 2019-02496 (VM). | Approved | Most recent IF: 56.9; 2023 IF: 37.205 | ||
| Call Number | EMAT @ emat @c:irua:197199 | Serial | 8801 | ||
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| Author | Mangnus, M.J.J.; de Wit, J.W.; Vonk, S.J.W.; Geuchies, J.J.; Albrecht, W.; Bals, S.; Houtepen, A.J.; Rabouw, F.T. | ||||
| Title | High-throughput characterization of single-quantum-dot emission spectra and spectral diffusion by multiparticle spectroscopy | Type | A1 Journal article | ||
| Year | 2023 | Publication | ACS Photonics | Abbreviated Journal |
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| Volume | 10 | Issue | 8 | Pages | 2688-2698 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | In recent years, quantum dots (QDs) have emerged as bright,color-tunablelight sources for various applications such as light-emitting devices,lasing, and bioimaging. One important next step to advance their applicabilityis to reduce particle-to-particle variations of the emission propertiesas well as fluctuations of a single QD's emission spectrum,also known as spectral diffusion (SD). Characterizing SD is typicallyinefficient as it requires time-consuming measurements at the single-particlelevel. Here, however, we demonstrate multiparticle spectroscopy (MPS)as a high-throughput method to acquire statistically relevant informationabout both fluctuations at the single-particle level and variationsat the level of a synthesis batch. In MPS, we simultaneously measureemission spectra of many (20-100) QDs with a high time resolution.We obtain statistics on single-particle emission line broadening fora batch of traditional CdSe-based core-shell QDs and a batchof the less toxic InP-based core-shell QDs. The CdSe-basedQDs show significantly narrower homogeneous line widths, less SD,and less inhomogeneous broadening than the InP-based QDs. The timescales of SD are longer in the InP-based QDs than in the CdSe-basedQDs. Based on the distributions and correlations in single-particleproperties, we discuss the possible origins of line-width broadeningof the two types of QDs. Our experiments pave the way to large-scale,high-throughput characterization of single-QD emission propertiesand will ultimately contribute to facilitating rational design offuture QD structures. | ||||
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| Language | Wos | 001009443500001 | Publication Date | 2023-06-18 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2330-4022 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7 | Times cited | 1 | Open Access | OpenAccess |
| Notes | This work was supported by The Netherlands Center for Multiscale Catalytic Energy Conversion (MCEC), an NWO Gravitation Programme funded by the Ministry of Education, Culture and Science of the government of The Netherlands. The electron microscopy experiments at EMAT were supported by the European Commission (EUSMI grant E210100474). | Approved | Most recent IF: 7; 2023 IF: 6.756 | ||
| Call Number | UA @ admin @ c:irua:197337 | Serial | 8879 | ||
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| Author | Ignatova, K.; Vlasov, E.; Seddon, S.D.; Gauquelin, N.; Verbeeck, J.; Wermeille, D.; Bals, S.; Hase, T.P.A.; Arnalds, U.B. | ||||
| Title | Phase coexistence induced surface roughness in V2O3/Ni magnetic heterostructures | Type | A1 Journal Article | ||
| Year | 2024 | Publication | APL Materials | Abbreviated Journal |
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| Volume | 12 | Issue | 4 | Pages | |
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | We present an investigation of the microstructure changes in V2O3 as it goes through its inherent structural phase transition. Using V2O3 films with a well-defined crystal structure deposited by reactive magnetron sputtering on r-plane Al2O3 substrates, we study the phase coexistence region and its impact on the surface roughness of the films and the magnetic properties of overlying Ni magnetic layers in V2O3/Ni hybrid magnetic heterostructures. The simultaneous presence of two phases in V2O3 during its structural phase transition was identified with high resolution x-ray diffraction and led to an increase in surface roughness observed using x-ray reflectivity. The roughness reaches its maximum at the midpoint of the transition. In V2O3/Ni hybrid heterostructures, we find a concomitant increase in the coercivity of the magnetic layer correlated with the increased roughness of the V2O3 surface. The chemical homogeneity of the V2O3 is confirmed through transmission electron microscopy analysis. High-angle annular dark field imaging and electron energy loss spectroscopy reveal an atomically flat interface between Al2O3 and V2O3, as well as a sharp interface between V2O3 and Ni. | ||||
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| Language | Wos | 001202661800003 | Publication Date | 2024-04-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2166-532X | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 6.1 | Times cited | Open Access | ||
| Notes | This work was supported by the funding from the University of Iceland Research Fund, the Icelandic Research Fund Grant No. 207111. Instrumentation funding from the Icelandic Infrastructure Fund is acknowledged. This work was based on experiments per- formed at the BM28 (XMaS) beamline at the European Synchrotron Radiation Facility, Grenoble, France. XMaS is a National Research Facility funded by the UK EPSRC and managed by the Universi- ties of Liverpool and Warwick. This project has received funding from the European Union’s Horizon 2020 research and innovation program under Grant Agreement No. 823717—ESTEEM3. | Approved | Most recent IF: 6.1; 2024 IF: 4.335 | ||
| Call Number | EMAT @ emat @c:irua:205569 | Serial | 9120 | ||
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| Author | Cioni, M.; Delle Piane, M.; Polino, D.; Rapetti, D.; Crippa, M.; Arslan Irmak, E.; Van Aert, S.; Bals, S.; Pavan, G.M. | ||||
| Title | Sampling real-time atomic dynamics in metal nanoparticles by combining experiments, simulations, and machine learning | Type | A1 Journal article | ||
| Year | 2024 | Publication | Advanced Science | Abbreviated Journal |
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| Volume | Issue | Pages | 1-13 | ||
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Even at low temperatures, metal nanoparticles (NPs) possess atomic dynamics that are key for their properties but challenging to elucidate. Recent experimental advances allow obtaining atomic-resolution snapshots of the NPs in realistic regimes, but data acquisition limitations hinder the experimental reconstruction of the atomic dynamics present within them. Molecular simulations have the advantage that these allow directly tracking the motion of atoms over time. However, these typically start from ideal/perfect NP structures and, suffering from sampling limits, provide results that are often dependent on the initial/putative structure and remain purely indicative. Here, by combining state-of-the-art experimental and computational approaches, how it is possible to tackle the limitations of both approaches and resolve the atomistic dynamics present in metal NPs in realistic conditions is demonstrated. Annular dark-field scanning transmission electron microscopy enables the acquisition of ten high-resolution images of an Au NP at intervals of 0.6 s. These are used to reconstruct atomistic 3D models of the real NP used to run ten independent molecular dynamics simulations. Machine learning analyses of the simulation trajectories allow resolving the real-time atomic dynamics present within the NP. This provides a robust combined experimental/computational approach to characterize the structural dynamics of metal NPs in realistic conditions. Experimental and computational techniques are bridged to unveil atomic dynamics in gold nanoparticles (NPs), using annular dark-field scanning transmission electron microscopy and molecular dynamics simulations informed by machine learning. The approach provides unprecedented insights into the real-time structural behaviors of NPs, merging state-of-the-art techniques to accurately characterize their dynamics under realistic conditions. image | ||||
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| Language | Wos | 001206888000001 | Publication Date | 2024-04-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2198-3844 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 15.1 | Times cited | Open Access | ||
| Notes | This work was supported by the funding received by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement no. 818776- DYNAPOL, no. 770887 PICOMETRICS and no. 815128 REALNANO). The authors also acknowledge the computational resources provided by the Swiss National Supercomputing Center (CSCS), by CINECA, and the Research Foundation Flanders (FWO, Belgium) G.0346.21N. | Approved | Most recent IF: 15.1; 2024 IF: 9.034 | ||
| Call Number | UA @ admin @ c:irua:205442 | Serial | 9171 | ||
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| Author | Arisnabarreta, N.; Hao, Y.; Jin, E.; Salame, A.; Muellen, K.; Robert, M.; Lazzaroni, R.; Van Aert, S.; Mali, K.S.; De Feyter, S. | ||||
| Title | Single-layered imine-linked porphyrin-based two-dimensional covalent organic frameworks targeting CO₂ reduction | Type | A1 Journal article | ||
| Year | 2024 | Publication | Advanced energy materials | Abbreviated Journal |
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| Volume | Issue | Pages | |||
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The reduction of carbon dioxide (CO2) using porphyrin-containing 2D covalent organic frameworks (2D-COFs) catalysts is widely explored nowadays. While these framework materials are normally fabricated as powders followed by their uncontrolled surface heterogenization or directly grown as thin films (thickness >200 nm), very little is known about the performance of substrate-supported single-layered (approximate to 0.5 nm thickness) 2D-COFs films (s2D-COFs) due to its highly challenging synthesis and characterization protocols. In this work, a fast and straightforward fabrication method of porphyrin-containing s2D-COFs is demonstrated, which allows their extensive high-resolution visualization via scanning tunneling microscopy (STM) in liquid conditions with the support of STM simulations. The as-prepared single-layered film is then employed as a cathode for the electrochemical reduction of CO2. Fe porphyrin-containing s2D-COF@graphite used as a single-layered heterogeneous catalyst provided moderate-to-high carbon monoxide selectivity (82%) and partial CO current density (5.1 mA cm(-2)). This work establishes the value of using single-layered films as heterogene ous catalysts and demonstrates the possibility of achieving high performance in CO2 reduction even with extremely low catalyst loadings. | ||||
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| Language | Wos | 001177577200001 | Publication Date | 2024-02-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1614-6832; 1614-6840 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 27.8 | Times cited | Open Access | ||
| Notes | N.A. acknowledges a postdoctoral fellowship from the Research Foundation- Flanders (FWO) via grant 12ZS623N. S.D.F. acknowledges support from FWO (G0A4120N, G0H2122N, G0A5U24N), KU Leuven Internal Funds (grants C14/18/06, C14/19/079, C14/23/090), European Union under the Horizon Europe grant 101046231 (FantastiCOF), and M-ERA.NET via FWO (G0K9822N). S.D.F., K.M., Y.H., R.L., and S.V.A. were thankful to the FWO and FNRS for the financial support through the EOS program (grant 30489208, 40007495). Research in Mons was also supported by the Belgian National Fund for Scientific Research (FRS-FNRS) within the Consortium des Équipements de Calcul Intensif- CÉCI, and by the Walloon Region (ZENOBE and LUCIA Tier-1 supercomputers). E.J. appreciated the support from the Alexander von Humboldt Foundation, the Max Planck Society, the FLAG-ERA Grant OPERA by DFG 437130745, the National Natural Science Foundation of China (22288101), and the 111 Project (B17020). Partial financial support to M.R. from the Institut Universitaire de France (IUF) was warmly thanked. | Approved | Most recent IF: 27.8; 2024 IF: 16.721 | ||
| Call Number | UA @ admin @ c:irua:204856 | Serial | 9172 | ||
| Permanent link to this record | |||||
| Author | Ni, S.; Houwman, E.; Gauquelin, N.; Chezganov, D.; Van Aert, S.; Verbeeck, J.; Rijnders, G.; Koster, G. | ||||
| Title | Stabilizing perovskite Pb(Mg0.33Nb0.67)O3-PbTiO3 thin films by fast deposition and tensile mismatched growth template | Type | A1 Journal article | ||
| Year | 2024 | Publication | ACS applied materials and interfaces | Abbreviated Journal |
|
| Volume | 16 | Issue | 10 | Pages | 12744-12753 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Because of its low hysteresis, high dielectric constant, and strong piezoelectric response, Pb(Mg1/3Nb2/3)O-3-PbTiO3 (PMN-PT) thin films have attracted considerable attention for the application in PiezoMEMS, field-effect transistors, and energy harvesting and storage devices. However, it remains a great challenge to fabricate phase-pure, pyrochlore-free PMN-PT thin films. In this study, we demonstrate that a high deposition rate, combined with a tensile mismatched template layer can stabilize the perovskite phase of PMN-PT films and prevent the nucleation of passive pyrochlore phases. We observed that an accelerated deposition rate promoted mixing of the B-site cation and facilitated relaxation of the compressively strained PMN-PT on the SrTiO3 (STO) substrate in the initial growth layer, which apparently suppressed the initial formation of pyrochlore phases. By employing La-doped-BaSnO3 (LBSO) as the tensile mismatched buffer layer, 750 nm thick phase-pure perovskite PMN-PT films were synthesized. The resulting PMN-PT films exhibited excellent crystalline quality close to that of the STO substrate. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001176343700001 | Publication Date | 2024-02-29 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1944-8244 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 9.5 | Times cited | Open Access | ||
| Notes | We would like to acknowledge the Netherlands Organization for Scientific Research (NWO) for the financial support of this work. This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No. 823717-ESTEEM3. | Approved | Most recent IF: 9.5; 2024 IF: 7.504 | ||
| Call Number | UA @ admin @ c:irua:204754 | Serial | 9174 | ||
| Permanent link to this record | |||||
| Author | Martin, J.M.L.; François, J.P.; Gijbels, R. | ||||
| Title | Ab initio spectroscopy and thermochemistry of the BN molecule | Type | A1 Journal article | ||
| Year | 1991 | Publication | Zeitschrift für Physik : D : atoms, molecules and clusters | Abbreviated Journal |
|
| Volume | 21 | Issue | Pages | 47-55 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Berlin | Editor | ||
| Language | Wos | A1991GA17200008 | Publication Date | 0000-00-00 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0178-7683 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 17 | Open Access | ||
| Notes | Approved | no | |||
| Call Number | UA @ lucian @ c:irua:714 | Serial | 34 | ||
| Permanent link to this record | |||||
| Author | Martin, J.M.L.; François, J.P.; Gijbels, R. | ||||
| Title | Accurate ab initio quartic force fields and thermochemistry of FNO and CINO | Type | A1 Journal article | ||
| Year | 1994 | Publication | The journal of physical chemistry | Abbreviated Journal |
|
| Volume | 98 | Issue | 44 | Pages | 11394-11400 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | The quartic force fields of FNO and CINO have been computed at the CCSD(T)/cc-pVTZ level. Using an ''augmented'' basis set dramatically improves results for FNO but has no significant effect for CINO. The best computed force field for FNO yields harmonic frequencies and fundamentals in excellent agreement with experiment. Overall, the force fields proposed in the present work are probably the most reliable ones ever published for these molecules. Total atomization energies have been computed using basis sets of spdfg quality: our best estimates are Sigma D-0 = 208.5 +/- 1 and 185.4 +/- 1 kcal/mol for FN0 and CINO, respectively. The computed value for FNO suggests a problem with the established experimental heat of formation. Thermodynamic tables in JANAF style at 100-2000 K are presented for both FNO and CINO. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Washington, D.C. | Editor | ||
| Language | Wos | A1994PP89400022 | Publication Date | 2005-03-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0022-3654;1541-5740; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 21 | Open Access | ||
| Notes | Approved | no | |||
| Call Number | UA @ lucian @ c:irua:12310 | Serial | 44 | ||
| Permanent link to this record | |||||
| Author | Vandelannoote, R.; Blommaert, W.; van Grieken, R.; Gijbels, R. | ||||
| Title | L'analyse des eaux géothermales par spectrométrie de masse à étincelles | Type | A3 Journal article | ||
| Year | 1979 | Publication | Spectra 2000: la revue de l'instrumentation | Abbreviated Journal |
|
| Volume | 53 | Issue | Pages | 66 | |
| Keywords | A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Paris | Editor | ||
| Language | Wos | Publication Date | 0000-00-00 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0399-1172 | ISBN | Additional Links | UA library record | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | no | |||
| Call Number | UA @ lucian @ c:irua:116645 | Serial | 98 | ||
| Permanent link to this record | |||||
| Author | Vandelannoote, R.; Blommaert, W.; Gijbels, R.; van Grieken, R. | ||||
| Title | Analysis of geothermal waters by spark source mass spectrometry | Type | A3 Journal article | ||
| Year | 1981 | Publication | Fresenius' Zeitschrift für analytische Chemie | Abbreviated Journal |
|
| Volume | 309 | Issue | 4 | Pages | 291-294 |
| Keywords | A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | Although the analysis of thermal water by spark-source mass spectrometry (SSMS) is rather timeconsuming, it allows the detection of about 20 elements of geochemical interest down to the ppb-level. A physical preconcentration is proposed in order to collect elements having quite different chemical properties, e.g. alkalis, transition elements, and elements occurring in anionic form. The relative sensitivity factors appear to be rather independent of the salt content of the graphite electrodes. Contrary to neutron activation analysis, SSMS has a quite uniform elemental sensitivity, and allows to determine elements for which neutron activation is not suitable, e.g. Sn and Pb. The precision of SSMS is however by a factor of about 2 worse than that obtained for neutron activation. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | München | Editor | ||
| Language | Wos | Publication Date | 2004-11-15 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0016-1152;1618-2650; | ISBN | Additional Links | UA library record | |
| Impact Factor | Times cited | 8 | Open Access | ||
| Notes | Approved | no | |||
| Call Number | UA @ lucian @ c:irua:116638 | Serial | 100 | ||
| Permanent link to this record | |||||
| Author | Veldeman, E.; Van 't dack, L.; Gijbels, R.; Campbell, M.; Vanhaecke, F.; Vanhoe, H.; Vandecasteele, C. | ||||
| Title | Analysis of thermal waters by ICP-MS | Type | H3 Book chapter | ||
| Year | 1991 | Publication | Abbreviated Journal |
||
| Volume | Issue | Pages | 25-33 | ||
| Keywords | H3 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | The Royal Society of Chemistry | Place of Publication | Cambridge | Editor | |
| Language | Wos | Publication Date | 0000-00-00 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | UA library record | ||
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | no | |||
| Call Number | UA @ lucian @ c:irua:707 | Serial | 105 | ||
| Permanent link to this record | |||||
| Author | Gijbels, R.; van Grieken, R. | ||||
| Title | Application of analytical methods for trace elements in geothermal waters : part 1 : Amélie-les-Bains (Eastern Pyrenees) | Type | MA3 Book as author | ||
| Year | 1977 | Publication | Abbreviated Journal |
||
| Volume | Issue | Pages | |||
| Keywords | MA3 Book as author; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | S.l. | Editor | ||
| Language | Wos | Publication Date | 0000-00-00 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | UA library record | ||
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | no | |||
| Call Number | UA @ lucian @ c:irua:117471 | Serial | 139 | ||
| Permanent link to this record | |||||
| Author | Gijbels, R.; van Grieken, R.; Blommaert, W.; Van 't dack, L.; van Espen, P.; Nullens, H.; Saelens, R. | ||||
| Title | Application of analytical methods for trace elements in geothermal waters : part 2 : Plombières, Bains-les-Bains, Bourbonne (Vosges) | Type | MA3 Book as author | ||
| Year | 1983 | Publication | Abbreviated Journal |
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| Volume | Issue | Pages | |||
| Keywords | MA3 Book as author; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | S.l. | Editor | ||
| Language | Wos | Publication Date | 0000-00-00 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | UA library record | ||
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | no | |||
| Call Number | UA @ lucian @ c:irua:117472 | Serial | 140 | ||
| Permanent link to this record | |||||