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Idrissi, H.; Samaee, V.; Lumbeeck, G.; van der Werf, T.; Pardoen, T.; Schryvers, D.; Cordier, P. |
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Title |
Supporting data for “In situ Quantitative Tensile Tests on Antigorite in a Transmission Electron Microscope” |
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Year |
2019 |
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Dataset; Electron microscopy for materials research (EMAT) |
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The determination of the mechanical properties of serpentinites is essential towards the understanding of the mechanics of faulting and subduction. Here, we present the first in situ tensile tests on antigorite in a transmission electron microscope. A push-to-pull deformation device is used to perform quantitative tensile tests, during which force and displacement are measured, while the microstructure is imaged with the microscope. The experiments have been performed at room temperature on beams prepared by focused ion beam. The specimens are not single crystals despite their small sizes. Orientation mapping indicated that some grains were well-oriented for plastic slip. However, no dislocation activity has been observed even though engineering tensile stress went up to 700 MPa. We show also that antigorite does not exhibit an pure elastic-brittle behaviour since, despite the presence of defects, the specimens underwent plastic deformation and did not fail within the elastic regime. Instead, we observe that strain localizes at grain boundaries. All observations concur to show that under our experimental conditions, grain boundary sliding is the dominant deformation mechanism. This study sheds a new light on the mechanical properties of antigorite and calls for further studies on the structure and properties of grain boundaries in antigorite and more generally in phyllosilicates. |
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no |
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Call Number |
UA @ admin @ c:irua:169107 |
Serial |
6891 |
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Jannis, D.; Müller-Caspary, K.; Béché, A.; Oelsner, A.; Verbeeck, J. |
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Title |
Spectrocopic coincidence experiment in transmission electron microscopy |
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2019 |
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Dataset; Electron microscopy for materials research (EMAT) |
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This dataset contains individual EEL and EDX events where for every event (electron or X-ray), their energy and time of arrival is stored. The experiment was performed in a transmission electron microscope (Tecnai Osiris) at 200 keV. The material investigated is an Al-Mg-Si-Cu alloy. The 'full_dataset.mat' contains the full dataset and the 'subset.mat' has the first five frames of the full dataset. The attached 'EELS-EDX.ipynb' is a jupyter notebook file. This file describes the data processing in order to observe the temporal correlation between the electrons and X-rays. |
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no |
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Call Number |
UA @ admin @ c:irua:169112 |
Serial |
6888 |
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Guzzinati, G.; Ghielens, W.; Mahr, C.; Béché, A.; Rosenauer, A.; Calders, T.; Verbeeck, J. |
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Title |
Electron Bessel beam diffraction patterns, line scan of Si/SiGe multilayer |
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Dataset |
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Year |
2019 |
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Keywords |
Dataset; ADReM Data Lab (ADReM); Electron microscopy for materials research (EMAT) |
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no |
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Call Number |
UA @ admin @ c:irua:169114 |
Serial |
6865 |
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Cautaerts, N.; Lamm, S.; Stergar, E.; Pakarinen, J.; Yang, Y.; Hofer, C.; Schnitzer, R.; Felfer, P.; Verwerft, M.; Delville, R.; Schryvers, D. |
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Title |
Atom probe tomography data collection from DIN 1.4970 (15-15Ti) austenitic stainless steel irradiated with Fe ions |
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Dataset |
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Year |
2020 |
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Keywords |
Dataset; Electron microscopy for materials research (EMAT) |
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Abstract |
This dataset comprises a large collection of atom probe tomography datasets collected from DIN 1.4970 alloy that was irradiated with Fe ions at different conditions. The DIN 1.4970 alloy is an austenitic stainless steel with 15 wt% Cr, 15 wt% Ni, a small addition of Ti. The full composition and characterization of our material can be found published elsewhere [1,2]. Some of our material was subjected to ageing heat treatments at different temperatures for different times. Small samples of our original material and aged material was irradiated at the Michigan Ion Beam Laboratory in 2017 with 4.5 MeV Fe ions up to 40 dpa at an average dose rate of 2×10−4 dpa/s. This was done at three different temperatures: 300, 450, and 600 ºC. Atom probe samples were made of the irradiated layers (approximately 1.5 micron deep) with focused ion beam and mounted on Microtip coupons. APT measurements took place on three CAMECA LEAP-HR systems located at CAES in Idaho Falls, USA (files beginning with R33), at Montanuniversität Leoben in Leoben, Austria (R21) and at Friedrich–Alexander University in Erlangen, Germany (R56). |
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Not_Open_Access |
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; ; |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:169127 |
Serial |
6454 |
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Author |
Guzzinati, G.; Béché, A.; McGrouther, D.; Verbeeck, J. |
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Title |
Rotation of electron beams in the presence of localised, longitudinal magnetic fields |
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Dataset |
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Year |
2019 |
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Keywords |
Dataset; Electron microscopy for materials research (EMAT) |
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Abstract |
Electron Bessel beams have been generated by inserting an annular aperture in the illumination system of a TEM. These beams have passed through a localised magnetic field. As a result a low amount of image rotation (which is expected to be proportional to the longitudinal component of the magnetic field) is observed in the far field. A measure of this rotation should give access to the magneti field. The two datasets have been acquired in a FEI Titan3 microscope, operated at 300kV. The file focalseries.tif contains a series of images acquired varying the magnetic field through the objective lens. The file lineprofile.ser contains a series of images acquired by scanning the beam over a sample with several magnetised nanopillars. For reference, check the associated publication. |
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no |
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Call Number |
UA @ admin @ c:irua:169135 |
Serial |
6883 |
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Author |
Mescia, L.; Lamacchia, C.M.; Chiapperino, M.A.; Bia, P.; Gielis, J.; Caratelli, D. |
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Title |
Design of irregularly shaped lens antennas including supershaped feed |
Type |
P1 Proceeding |
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Year |
2019 |
Publication |
Progress in Electromagnetic Research Symposium (PIERS)
T2 – 2019 PhotonIcs & Electromagnetics Research Symposium – Spring (PIERS-Spring), 17-20 June, 2019, Rome, Italy |
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169-173 |
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Keywords |
P1 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
A new class of irregularly shaped dielectric lens antennas with a supershaped microstrip antenna feeder is presented and detailed in this work. The surface of the lens antenna and the feeder shape have been modelled by using the three and two-dimensional Gielis formula, respectively. The antenna design has been carried out by integrating an home-made software tool with the CST Microwave Studio®. The radiation properties of the whole antenna system have been evaluated using a dedicated high-frequency technique based on the tube tracing approximation. Moreover, the effects due to the multiple internal reflections have been properly modeled. The proposed model was applied to study unusual and complex lens antenna systems with the aim to design special radiation characteristics. |
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000550769300021 |
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2020-03-03 |
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ISSN |
978-1-72813-403-1; 978-1-72813-404-8; 978-1-72813-403-1 |
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Additional Links |
UA library record; WoS full record |
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no |
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Call Number |
UA @ admin @ c:irua:169169 |
Serial |
7766 |
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Mescia, L.; Chiapperino, M.A.; Bia, P.; Lamacchia, C.M.; Gielis, J.; Caratelli, D. |
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Title |
Multiphysics modelling of membrane electroporation in irregularly shaped cells |
Type |
P1 Proceeding |
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Year |
2019 |
Publication |
Progress in Electromagnetic Research Symposium (PIERS)
T2 – 2019 PhotonIcs & Electromagnetics Research Symposium – Spring (PIERS-Spring), 17-20 June 2019, Rome, Italy |
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Pages |
2992-2998 |
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Keywords |
P1 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Electroporation is a non-thermal electromagnetic phenomenon widely used in medical diseases treatment. Different mathematical models of electroporation have been proposed in literature to study pore evolution in biological membranes. This paper presents a nonlinear dispersive multiphysic model of electroporation in irregular shaped biological cells in which the spatial and temporal evolution of the pores size is taken into account. The model solves Maxwell and asymptotic Smoluchowski equations and it describes the dielectric dispersion of cell media using a Debye-based relationship. Furthermore, the irregular cell shape has been modeled using the Gielis superformula. Taking into account the cell in mitosis phase, the electroporation process has been studied comparing the numerical results pertaining the model with variable pore radius with those in which the pore radius is supposed constant. The numerical analysis has been performed exposing the biological cell to a rectangular electric pulse having duration of 10 μs. The obtained numerical results highlight considerable differences between the two different models underling the need to include into the numerical algorithm the differential equation modeling the spatial and time evolution of the pores size. |
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000550769302159 |
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2020-03-03 |
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978-1-72813-404-8; 978-1-72813-403-1 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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no |
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Call Number |
UA @ admin @ c:irua:169170 |
Serial |
8288 |
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Mescia, L.; Chiapperino, M.A.; Bia, P.; Lamacchia, C.M.; Gielis, J.; Caratelli, D. |
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Title |
Relevance of the cell membrane modelling for accurate analysis of the pulsed electric field-induced electroporation |
Type |
P1 Proceeding |
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Year |
2019 |
Publication |
Progress in Electromagnetic Research Symposium (PIERS)
T2 – 2019 PhotonIcs & Electromagnetics Research Symposium – Spring (PIERS-Spring), 17-20 June 2019, Rome, Italy |
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Volume |
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Pages |
2985-2991 |
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Keywords |
P1 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
In this work, a nonlinear dispersive multiphysic model based on Maxwell and asymptotic Smoluchowsky equations has been developed to analyze the electroporation phenomenon induced by pulsed electric field on biological cells. The irregular plasma membrane geometry has been modeled by incorporating in the numerical algorithm the Gielis superformula as well as the dielectric dispersion of the plasma membrane has been modeled using the multi-relaxation Debye-based relationship. The study has been carried out with the aim to compare our model implementing a thin plasma membrane with the simplified model in which the plasma membrane is modeled as a distributed impedance boundary condition. The numerical analysis has been performed exposing the cell to external electric pulses having rectangular shapes. By an inspection of the obtained results, significant differences can be highlighted between the two models confirming the need to incorporate the effective thin membrane into the numerical algorithm to well predict the cell response to the pulsed electric fields in terms of transmembrane voltages and pore densities, especially when the cell is exposed to external nanosecond pulses. |
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000550769302158 |
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2020-03-03 |
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978-1-72813-404-8; 978-1-72813-403-1 |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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no |
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Call Number |
UA @ admin @ c:irua:169171 |
Serial |
8469 |
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Author |
Zhang, H.; Zhang, H.; Trenchev, G.; Li, X.; Wu, Y.; Bogaerts, A. |
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Title |
Multi-dimensional modelling of a magnetically stabilized gliding arc plasma in argon and CO2 |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Plasma Sources Science & Technology |
Abbreviated Journal |
Plasma Sources Sci T |
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Volume |
29 |
Issue |
4 |
Pages |
045019 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
This study focuses on a magnetically stabilized gliding arc (MGA) plasma. Two fully coupled flow-plasma models (in 3D and 2D) are presented. The 3D model is applied to compare the arc dynamics of the MGA with a traditional gas-driven gliding arc. The 2D model is used for a detailed parametric study on the effect of the external magnetic field. The results show that the relative velocity between the plasma and feed gas is generated due to the Lorentz force, which can increase the plasma-treated gas fraction. The magnetic field also helps to decrease the gas temperature by enhancing heat transfer and to increase the electron number density. This work shows the potential of an external magnetic field to control the gliding arc behavior, for enhanced gas conversion at low gas flow rates. |
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000570241800001 |
Publication Date |
2020-04-09 |
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Edition |
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ISSN |
1361-6595 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.8 |
Times cited |
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Open Access |
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Notes |
Fonds Wetenschappelijk Onderzoek, G.0383.16N ; National Natural Science Foundation of China, 51706204 51707144 ; State Key Laboratory of Electrical Insulation and Power Equipment, EIPE19302 ; The authors acknowledge financial support from the Fund for Scientific Research—Flanders (FWO; Grant G.0383.16 N), National Natural Science Foundation of China under Grant Nos. 51706204, 51707144, and State Key Laboratory of Electrical Insulation and Power Equipment (EIPE19302). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (Department EWI), and Universiteit Antwerpen. Finally, Hantian Zhang acknowledges financial support from the China Scholarship Council. |
Approved |
Most recent IF: 3.8; 2020 IF: 3.302 |
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Call Number |
PLASMANT @ plasmant @c:irua:169218 |
Serial |
6360 |
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Uytdenhouwen, Y.; Meynen, V.; Cool, P.; Bogaerts, A. |
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Title |
The Potential Use of Core-Shell Structured Spheres in a Packed-Bed DBD Plasma Reactor for CO2 Conversion |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Catalysts |
Abbreviated Journal |
Catalysts |
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Volume |
10 |
Issue |
5 |
Pages |
530 |
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Keywords |
A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
This work proposes to use core-shell structured spheres to evaluate whether it allows to individually optimize bulk and surface effects of a packing material, in order to optimize conversion and energy efficiency. Different core-shell materials have been prepared by spray coating, using dense spheres (as core) and powders (as shell) of SiO2, Al2O3, and BaTiO3. The materials are investigated for their performance in CO2 dissociation and compared against a benchmark consisting of a packed-bed reactor with the pure dense spheres, as well as an empty reactor. The results in terms of CO2 conversion and energy efficiency show various interactions between the core and shell material, depending on their combination. Al2O3 was found as the best core material under the applied conditions here, followed by BaTiO3 and SiO2, in agreement with their behaviour for the pure spheres. Applying a thin shell layer on the cores showed equal performance between the different shell materials. Increasing the layer thickness shifts this behaviour, and strong combination effects were observed depending on the specific material. Therefore, this method of core-shell spheres has the potential to allow tuning of the packing properties more closely to the application by designing an optimal combination of core and shell. |
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000546007000092 |
Publication Date |
2020-05-11 |
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Abbreviated Series Title |
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Edition |
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ISSN |
2073-4344 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.9 |
Times cited |
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Open Access |
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Notes |
Interreg, Project EnOp ; Fonds Wetenschappelijk Onderzoek, G.0254.14N ; Universiteit Antwerpen, Project SynCO2Chem ; We want to thank Jasper Lefevre (VITO) for assistance in the development of the coating suspension for the core-shell spheres. |
Approved |
Most recent IF: 3.9; 2020 IF: 3.082 |
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Call Number |
PLASMANT @ plasmant @c:irua:169222 |
Serial |
6364 |
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Author |
Borah, R.; Verbruggen, S.W. |
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Title |
Silver–Gold Bimetallic Alloy versus Core–Shell Nanoparticles: Implications for Plasmonic Enhancement and Photothermal Applications |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
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Volume |
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Issue |
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Pages |
acs.jpcc.0c02630 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Bimetallic plasmonic nanoparticles enable tuning of the optical response and chemical stability by variation of the composition. The present numerical simulation study compares Ag–Au alloy, Ag@Au core–shell, and Au@Ag core–shell bimetallic plasmonic nanoparticles of both spherical and anisotropic (nanotriangle and nanorods) shapes. By studying both spherical and anisotropic (with LSPR in the near-infrared region) shapes, cases with and without interband transitions of Au can be decoupled. Explicit comparisons are facilitated by numerical models supported by careful validation and examination of optical constants of Au–Ag alloys reported in the literature. Although both Au–Ag core–shell and alloy nanoparticles exhibit an intermediary optical response between that of pure Ag and Au nanoparticles, there are noticeable differences in the spectral characteristics. Also, the effect of the bimetallic constitution in anisotropic nanoparticles is starkly different from that in spherical nanoparticles due to the absence of Au interband transitions in the former case. In general, the improved chemical stability of Ag nanoparticles by incorporation of Au comes with a cost of reduction in plasmonic enhancement, also applicable to anisotropic nanoparticles with a weaker effect. A photothermal heat transfer study confirms that increased absorption by the incorporation of Au in spherical Ag nanoparticles also results in an increased steady-state temperature. On the other hand, anisotropic nanoparticles are inherently better absorbers and hence better photothermal sources, and their photothermal properties are apparently not strongly affected by the incorporation of one metal in the other. This study of the optical/spectral and photothermal characteristics of bimetallic Au–Ag alloy versus core–shell nanoparticles provides detailed physical insight for development of new taylor-made plasmonic nanostructures. |
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000538758700039 |
Publication Date |
2020-05-19 |
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Series Issue |
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Edition |
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ISSN |
1932-7447 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.7 |
Times cited |
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Open Access |
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Notes |
Universiteit Antwerpen, DOCPRO4 Rituraj Borah ; |
Approved |
Most recent IF: 3.7; 2020 IF: 4.536 |
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Call Number |
DuEL @ duel @c:irua:169223 |
Serial |
6367 |
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Author |
Borah, R.; Verbruggen, S.W. |
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Title |
Silver–Gold Bimetallic Alloy versus Core–Shell Nanoparticles: Implications for Plasmonic Enhancement and Photothermal Applications |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
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Volume |
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Issue |
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Pages |
acs.jpcc.0c02630 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Bimetallic plasmonic nanoparticles enable tuning of the optical response and chemical stability by variation of the composition. The present numerical simulation study compares Ag–Au alloy, Ag@Au core–shell, and Au@Ag core–shell bimetallic plasmonic nanoparticles of both spherical and anisotropic (nanotriangle and nanorods) shapes. By studying both spherical and anisotropic (with LSPR in the near-infrared region) shapes, cases with and without interband transitions of Au can be decoupled. Explicit comparisons are facilitated by numerical models supported by careful validation and examination of optical constants of Au–Ag alloys reported in the literature. Although both Au–Ag core–shell and alloy nanoparticles exhibit an intermediary optical response between that of pure Ag and Au nanoparticles, there are noticeable differences in the spectral characteristics. Also, the effect of the bimetallic constitution in anisotropic nanoparticles is starkly different from that in spherical nanoparticles due to the absence of Au interband transitions in the former case. In general, the improved chemical stability of Ag nanoparticles by incorporation of Au comes with a cost of reduction in plasmonic enhancement, also applicable to anisotropic nanoparticles with a weaker effect. A photothermal heat transfer study confirms that increased absorption by the incorporation of Au in spherical Ag nanoparticles also results in an increased steady-state temperature. On the other hand, anisotropic nanoparticles are inherently better absorbers and hence better photothermal sources, and their photothermal properties are apparently not strongly affected by the incorporation of one metal in the other. This study of the optical/spectral and photothermal characteristics of bimetallic Au–Ag alloy versus core–shell nanoparticles provides detailed physical insight for development of new taylor-made plasmonic nanostructures. |
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Wos |
000538758700039 |
Publication Date |
2020-05-19 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.7 |
Times cited |
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Open Access |
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Notes |
Universiteit Antwerpen, DOCPRO4 Rituraj Borah ; |
Approved |
Most recent IF: 3.7; 2020 IF: 4.536 |
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Call Number |
DuEL @ duel @c:irua:169223 |
Serial |
6368 |
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Author |
Velazco, A.; Nord, M.; Béché, A.; Verbeeck, J. |
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Title |
Evaluation of different rectangular scan strategies for STEM imaging |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
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Issue |
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Pages |
113021 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
STEM imaging is typically performed by raster scanning a focused electron probe over a sample. Here we investigate and compare three different scan patterns, making use of a programmable scan engine that allows to arbitrarily set the sequence of probe positions that are consecutively visited on the sample. We compare the typical raster scan with a so-called ‘snake’ pattern where the scan direction is reversed after each row and a novel Hilbert scan pattern that changes scan direction rapidly and provides an homogeneous treatment of both scan directions. We experimentally evaluate the imaging performance on a single crystal test sample by varying dwell time and evaluating behaviour with respect to sample drift. We demonstrate the ability of the Hilbert scan pattern to more faithfully represent the high frequency content of the image in the presence of sample drift. It is also shown that Hilbert scanning provides reduced bias when measuring lattice parameters from the obtained scanned images while maintaining similar precision in both scan directions which is especially important when e.g. performing strain analysis. Compared to raster scanning with flyback correction, both snake and Hilbert scanning benefit from dose reduction as only small probe movement steps occur. |
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Wos |
000544042800007 |
Publication Date |
2020-05-21 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.2 |
Times cited |
13 |
Open Access |
OpenAccess |
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Notes |
A.V., A.B. and J.V. acknowledge funding through FWO project G093417N ('Compressed sensing enabling low dose imaging in transmission electron microscopy') from the Flanders Research Fund. M.N. received support for this work from the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 838001. J.V acknowledges funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No 823717 – ESTEEM3. |
Approved |
Most recent IF: 2.2; 2020 IF: 2.843 |
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Call Number |
EMAT @ emat @c:irua:169225 |
Serial |
6369 |
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Author |
Engelmann, Y.; Mehta, P.; Neyts, E.C.; Schneider, W.F.; Bogaerts, A. |
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Title |
Predicted Influence of Plasma Activation on Nonoxidative Coupling of Methane on Transition Metal Catalysts |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Acs Sustainable Chemistry & Engineering |
Abbreviated Journal |
Acs Sustain Chem Eng |
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Volume |
8 |
Issue |
15 |
Pages |
6043-6054 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Movement Antwerp (MOVANT) |
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Abstract |
The combination of catalysis and nonthermal plasma holds promise for enabling difficult chemical conversions. The possible synergy between both depends strongly on the nature of the reactive plasma species and the catalyst material. In this paper, we show how vibrationally excited species and plasma-generated radicals interact with transition metal catalysts and how changing the catalyst material can improve the conversion rates and product selectivity. We developed a microkinetic model to investigate the impact of vibrational excitations and plasma-generated radicals on the nonoxidative coupling of methane over transition metal surfaces. We predict a significant increase in ethylene formation for vibrationally excited methane. Plasma-generated radicals have a stronger impact on the turnover frequencies with high selectivity toward ethylene on noble catalysts and mixed selectivity on non-noble catalysts. In general, we show how the optimal catalyst material depends on the desired products as well as the plasma conditions. |
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Wos |
000526884000025 |
Publication Date |
2020-04-20 |
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Edition |
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ISSN |
2168-0485 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.4 |
Times cited |
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Open Access |
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Notes |
Herculesstichting; University of Notre Dame; Universiteit Antwerpen; Division of Engineering Education and Centers, EEC-1647722 ; We would like to thank Tom Butterworth for his work on methane vibrational distribution functions (VDF) and for sharing his thoughts and experiences on this matter, specifically regarding the VDF of the degenerate modes of methane. We ACS Sustainable Chemistry & Engineering pubs.acs.org/journal/ascecg Research Article https://dx.doi.org/10.1021/acssuschemeng.0c00906 ACS Sustainable Chem. Eng. 2020, 8, 6043−6054 6052 also acknowledge financial support from the DOC-PRO3 and the TOP-BOF projects of the University of Antwerp. This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (Department EWI), and the University of Antwerp. Support for W.F.S. was provided by the National Science Foundation under cooperative agreement no. EEC-1647722, an Engineering Research Center for the Innovative and Strategic Transformation of Alkane Resources (CISTAR). P.M. acknowledges support through the Eilers Graduate Fellowship of the University of Notre Dame. |
Approved |
Most recent IF: 8.4; 2020 IF: 5.951 |
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Call Number |
PLASMANT @ plasmant @c:irua:169228 |
Serial |
6366 |
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Author |
Marimuthu, P.; Razzokov, J.; Eshonqulov, G. |
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Title |
Disruption of conserved polar interactions causes a sequential release of Bim mutants from the canonical binding groove of Mcl1 |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
International Journal Of Biological Macromolecules |
Abbreviated Journal |
Int J Biol Macromol |
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Volume |
158 |
Issue |
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Pages |
364-374 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Mcl1 is an important anti-apoptotic member of the Bcl2 family proteins that are upregulated in several cancer malignancies. The canonical binding groove (CBG) located at the surface of Mcl1 exhibits a critical role in binding partners selectively via the BH3-domain of pro-apoptotic Bcl2 family members that trigger the downregulation of Mcl1 function. There are several crystal structures of point-mutated pro-apoptotic Bim peptides in complex with Mcl1. However, the mechanistic effects of such point-mutations towards peptide binding and complex stability still remain unexplored. Here, the effects of the reported point mutations in Bim peptides and their binding mechanisms to Mcl1 were computationally evaluated using atomistic-level steered molecular dynamics (SMD) simulations. A range of external-forces and constant-velocities were applied to the Bim peptides to uncover the mechanistic basis of peptide dissociation from the CBG of Mcl1. Although the peptides showed similarities in their dissociation pathways, the peak rupture forces varied significantly. According to simulations results, the disruption of the conserved polar contacts at the complex interface causes a sequential release of the peptides from the CBG of Mcl1. Overall, the results obtained from the current study may provide valuable insights for the development of novel anti-cancer peptide-inhibitors that can downregulate Mcl1’s function. |
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Wos |
000564486400010 |
Publication Date |
2020-05-03 |
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ISSN |
0141-8130 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.2 |
Times cited |
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Open Access |
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Notes |
P.M. gratefully acknowledges the Sigrid Jusélius Foundation, Joe, Pentti and Tor Borg Memorial Fund for computational and laboratory infrastructure, the Bioinformatics infrastructure facility supported by Biocenter Finland, CSC-IT Center for Science (Project: 2000461) for the high performance computational facility; Prof. Outi Salo-Ahen, SBL, Pharmacy, Åbo Akademi University and Prof. Olli Pentikäinen, MedChem, University of Turku for valuable discussion; Dr. Jukka Lehtonen for the IT support; and specially thanks Prof. Mark Johnson, SBL, Åbo Akademi University, for providing the lab facility. |
Approved |
Most recent IF: 8.2; 2020 IF: 3.671 |
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Call Number |
PLASMANT @ plasmant @c:irua:169231 |
Serial |
6365 |
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Author |
Reclusa, P.; Verstraelen, P.; Taverna, S.; Gunasekaran, M.; Pucci, M.; Pintelon, I.; Claes, N.; de Miguel-Pérez, D.; Alessandro, R.; Bals, S.; Kaushal, S.; Rolfo, C. |
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Title |
Improving extracellular vesicles visualization: From static to motion |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Scientific Reports |
Abbreviated Journal |
Sci Rep-Uk |
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Volume |
10 |
Issue |
10 |
Pages |
6494 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
In the last decade extracellular vesicles (EVs) have become a hot topic. The findings on EVs content and effects have made them a major field of interest in cancer research. EVs, are able to be internalized through integrins expressed in parental cells, in a tissue specific manner, as a key step of cancer progression and pre-metastatic niche formation. However, this specificity might lead to new opportunities in cancer treatment by using EVs as devices for drug delivery. For future applications of EVs in cancer, improved protocols and methods for EVs isolation and visualization are required. Our group has put efforts on developing a protocol, able to track the EVs for in vivo internalization analysis. We showed, for the first time, the videos of labeled EVs uptake by living lung cancer cells. |
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Wos |
000562145000002 |
Publication Date |
2020-04-16 |
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Abbreviated Series Title |
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Series Volume |
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Edition |
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ISSN |
2045-2322 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.6 |
Times cited |
25 |
Open Access |
OpenAccess |
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Notes |
Marzia Pucci is supported by a “AIRC” (Associazione Italiana Ricerca sul Cancro) fellowship. “The Leica SP 8 (Hercules grant AUHA.15.12) microscope was funded by the Hercules Foundation of the Flemish Government.” DdM-P is funded by the University of Granada PhD grant and University of Granada international mobility grant 2018/19. |
Approved |
Most recent IF: 4.6; 2020 IF: 4.259 |
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Call Number |
EMAT @ emat @c:irua:169234 |
Serial |
6362 |
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Author |
Nematollahi, P. |
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Title |
Density functional theory calculations for understanding gas conversion reactions on single metal atom embedded carbon-based nanocatalysts |
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Doctoral thesis |
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Year |
2020 |
Publication |
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Abbreviated Journal |
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Volume |
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Pages |
173 p. |
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Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Additional Links |
UA library record |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:169310 |
Serial |
6481 |
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Author |
Eliaerts, J. |
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Title |
Qualitative and quantitative determination of cocaine using mid-infrared spectroscopy and chemometrics |
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Doctoral thesis |
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Year |
2020 |
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Abbreviated Journal |
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Pages |
184 p. |
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Keywords |
Doctoral thesis; Law; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Additional Links |
UA library record |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:169398 |
Serial |
6589 |
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Author |
Chen, C.; Sang, X.; Cui, W.; Xing, L.; Nie, X.; Zhu, W.; Wei, P.; Hu, Z.-Y.; Zhang, Q.; Van Tendeloo, G.; Zhao, W. |
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Title |
Atomic-resolution fine structure and chemical reaction mechanism of Gd/YbAl₃ thermoelectric-magnetocaloric heterointerface |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Journal Of Alloys And Compounds |
Abbreviated Journal |
J Alloy Compd |
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Volume |
831 |
Issue |
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Pages |
154722-154728 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Thermoelectric materials and magnetocaloric materials are promising candidates for solid-state refrigeration applications. The combination of thermoelectric and magnetocaloric effects could potentially lead to more efficient refrigeration techniques. We designed and successfully synthesized Gd/YbAl3 composites using a YbAl3 matrix with good low-temperature thermoelectric performance and Gd microspheres with a high magnetocaloric performance, using a sintering condition of 750 degrees C and 50 MPa. Using aberration-corrected scanning transmission electron microscopy (STEM), it was discovered that the heterointerface between Gd and YbAl 3 is composed of five sequential interfacial layers: GdAl3, GdAl2, GdAl, Gd3Al2, and Gd3Al. The diffusion of Al atoms plays a crucial role in the formation of these interfacial layers, while Yb or Gd do not participate in the interlayer diffusion. This work provides the essential structural information for further optimizing and designing high-performance composites for thermoelectric-magnetocaloric hybrid refrigeration applications. (C) 2020 Elsevier B.V. All rights reserved. |
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Wos |
000531727900005 |
Publication Date |
2020-03-10 |
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Abbreviated Series Title |
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Edition |
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ISSN |
0925-8388 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.2 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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Notes |
; This work was supported by National Natural Science Foundation of China (Nos. 11834012, 51620105014, 91963207, 91963122, 51902237) and National Key R&D Program of China (No. 2018YFB0703603, 2019YFA0704903, SQ2018YFE010905). EPMA experiments were performed at the Center for Materials Research and Testing of Wuhan University of Technology. The S/TEM work was performed at the Nanostructure Research Center (NRC), which is supported by the Fundamental Research Funds for the Central Universities (WUT: 2019III012GX). ; |
Approved |
Most recent IF: 6.2; 2020 IF: 3.133 |
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Call Number |
UA @ admin @ c:irua:169447 |
Serial |
6455 |
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Author |
Van Oijstaeijen, W.; Van Passel, S.; Cools, J. |
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Title |
Urban green infrastructure: A review on valuation toolkits from an urban planning perspective |
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A1 Journal Article |
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Year |
2020 |
Publication |
Journal Of Environmental Management |
Abbreviated Journal |
J Environ Manage |
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Volume |
267 |
Issue |
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Pages |
110603 |
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Keywords |
A1 Journal Article; Engineering Management (ENM) ; |
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Abstract |
As a response to increasing urbanization and changing weather and climatic patterns, urban green infrastructure (UGI) emerged as a concept to increase resilience within the urban boundaries. Given that implementing these (semi-) natural solutions in practice requires a clear overview of the costs and benefits, valuation becomes ever important. A range of decision-support tools for green infrastructure and ecosystem services exist, developed for various purposes. This paper reviews the potential of 10 shortlisted and existing valuation tools to support investment decisions of urban green infrastructure. In the assessment, the functionality is regarded specifically from the urban planning and decision-making viewpoint. The toolkits were evaluated on 12 different criteria. After analyzing the toolkits on these criteria, the findings are evaluated on the (mis)match with specific requirements in the urban planning and management context. Secondly, recommendations and guidelines are formulated to support the design of simple valuation tools, tailored to support the development of green infrastructure in urban areas. Approaching the valuation toolkits biophysically and (socio-)economically provides an integral overview of the challenges and opportunities of the capacities of each framework. It was found that most tools are not designed for the peculiarities of the urban context. Several elements contribute to the hampering uptake of GI valuation tools. Firstly, the limited effort in the economic case for green infrastructure remains a burden to use toolkits to compare grey and green alternatives. Secondly, tools are currently seldom designed for the peculiarities of cities: urban ecosystem (dis)services, multi-scalability, life-span assessments of co-benefits and the importance of social benefits. Thirdly, toolkits should be the result of co-development between the scientific community and local authorities in order to create toolkits that are tailor made to the specific needs in the urban planning process. It can be concluded that current tools, are not readily applicable to support decision making as such. However, if applied cautiously, they can have an indicative role to pinpoint further targeted and in-depth analyses. |
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Wos |
000533525100040 |
Publication Date |
2020-04-27 |
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Abbreviated Series Title |
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Edition |
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ISSN |
0301-4797 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.7 |
Times cited |
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Open Access |
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Notes |
Nature Smart Cities across the 2 Seas is an Interreg 2 Seas co-funded project to the value of €6,380,472. It consists of a total of 11 Partners from 4 EU Member States, who will work together to develop a business model that local authorities can use to justify the use of ‘city finance’ to fund their urban greening programmes. This project has received funding from the Interreg 2 Seas programme 2014-2020 co-funded by the European Regional Development Fund under subsidy contract No 2S05-048. |
Approved |
Most recent IF: 8.7; 2020 IF: 4.01 |
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Call Number |
ENM @ enm @c:irua:169448 |
Serial |
6384 |
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Author |
Parsons, T.G.; Hadermann, J.; Halasyamani, P.S.; Hayward, M.A. |
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Title |
Preparation of the noncentrosymmetric ferrimagnetic phase La0.9Ba0.1Mn0.96O2.43 by topochemical reduction |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Journal Of Solid State Chemistry |
Abbreviated Journal |
J Solid State Chem |
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Volume |
287 |
Issue |
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Pages |
121356-121357 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Topochemical reduction of La0.9Ba0.1MnO3 with NaH at 225 degrees C yields the brownmillerite phase La0.9Ba0.1MnO2.5. However, reduction with CaH2 at 435 degrees C results in the formation of La0.9Ba0.1Mn0.96O2.43 via the deintercalation of both oxide anions and manganese cations from the parent perovskite phase. Electron and neutron diffraction data reveal La0.9Ba0.1Mn0.96O2.43 adopts a complex noncentrosymmetric structure, described in space group I23, confirmed by SHG measurements. Low-temperature neutron diffraction data reveal La0.9Ba0.1Mn0.96O2.43 adopts an ordered magnetic structure in which all the nearest neighbor interactions are antiferromagnetic. However, the presence of ordered manganese cation-vacancies results in a net ferrimagnetic structure with net saturated moment of 0.157(2) mu B per manganese center. |
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Place of Publication |
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Wos |
000533632700029 |
Publication Date |
2020-04-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0022-4596 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
3.3 |
Times cited |
|
Open Access |
Not_Open_Access |
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| |
Notes |
; We thank the EPSRC for funding this work and E. Suard for assisting with the collection of the neutron powder diffraction data. PSH thanks the Welch Foundation (Grant E-1457) for support. ; |
Approved |
Most recent IF: 3.3; 2020 IF: 2.299 |
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| |
Call Number |
UA @ admin @ c:irua:169450 |
Serial |
6583 |
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| Permanent link to this record |
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Author |
Muys, M.; Papini, G.; Spiller, M.; Sakarika, M.; Schwaiger, B.; Lesueur, C.; Vermeir, P.; Vlaeminck, S.E. |
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| |
Title |
Dried aerobic heterotrophic bacteria from treatment of food and beverage effluents: Screening of correlations between operation parameters and microbial protein quality |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Bioresource Technology |
Abbreviated Journal |
Bioresource Technol |
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| |
Volume |
307 |
Issue |
|
Pages |
123242-11 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000528857700051 |
Publication Date |
2020-03-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0960-8524 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
11.4 |
Times cited |
1 |
Open Access |
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Notes |
; The authors kindly thank (i) i-Cleantech Flanders MIP (Milieu-innovatieplatform) for financial support through the MicroNOD project (Microbial Nutrients on Demand), (ii) Erik Fransen (StatUA) for the helpful advice on the statistical analysis, and (iii) Ilse De Leersnyder and Diederik Leenknecht for assistance with the EAA analysis. ; |
Approved |
Most recent IF: 11.4; 2020 IF: 5.651 |
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| |
Call Number |
UA @ admin @ c:irua:169452 |
Serial |
6491 |
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| Permanent link to this record |
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Author |
Van Pottelberge, R. |
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| |
Title |
Comment on “Electron states for gapped pseudospin-1 fermions in the field of a charged impurity” |
Type |
Editorial |
| |
Year |
2020 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
101 |
Issue |
19 |
Pages |
197102-197103 |
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| |
Keywords |
Editorial; Condensed Matter Theory (CMT) |
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Abstract |
In a recent paper [Phys. Rev. B 99, 155124 (2019)], the spectrum of a regularized Coulomb charge was studied in gapped pseudospin-1 systems generated by an alpha – T-3 lattice. The electronic spectrum was studied as a function of the impurity strength Z alpha. However, the results and conclusions on the behavior of the flatband states as a function of the impurity strength are incomplete. In this Comment, I argue that because of the dispersionless nature of the flatband, the states spread out under the influence of a charged impurity forming a continuous band of states. I support my arguments with explicit numerical calculations which show the emergence of a continuum of states. |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000533793600004 |
Publication Date |
2020-05-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.7 |
Times cited |
|
Open Access |
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Notes |
; I would like to acknowledge very insightful discussions with the authors of the commented paper (V. P. Gusynin, E. V. Gorbar, and D. O. Oriekhov). F. M. Peeters is acknowledged for interesting discussions and proofreading. This research was supported by the Flemish Science Foundation through an aspirant research grant for R.V.P. ; |
Approved |
Most recent IF: 3.7; 2020 IF: 3.836 |
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| |
Call Number |
UA @ admin @ c:irua:169476 |
Serial |
6472 |
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| Permanent link to this record |
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Author |
Ji, Z.; Wang, H.; Canossa, S.; Wuttke, S.; Yaghi, O.M. |
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Title |
Pore Chemistry of Metal–Organic Frameworks |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Advanced Functional Materials |
Abbreviated Journal |
Adv Funct Mater |
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| |
Volume |
30 |
Issue |
41 |
Pages |
2000238 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The pores in metal–organic frameworks (MOFs) can be functionalized by placing chemical entities along the backbone and within the backbone. This chemistry is enabled by the architectural, thermal, and chemical robustness of the frameworks and the ability to characterize them by many diffraction and spectroscopic techniques. The pore chemistry of MOFs is articulated in terms of site isolation, coupling, and cooperation and relate that to their functions in guest recognition, catalysis, ion and electron transport, energy transfer, pore‐dynamic modulation, and interface construction. It is envisioned that the ultimate control of pore chemistry requires arranging functionalities into defined sequences and developing techniques for reading and writing such sequences within the pores. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000532830900001 |
Publication Date |
2020-05-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1616-301X |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
19 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
(Not present) |
Approved |
Most recent IF: 19; 2020 IF: 12.124 |
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Call Number |
EMAT @ emat @c:irua:169485 |
Serial |
6422 |
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| Permanent link to this record |
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Author |
Kong, X.; Li, L.; Liang, L.; Peeters, F.M.; Liu, X.-J. |
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Title |
The magnetic, electronic, and light-induced topological properties in two-dimensional hexagonal FeX₂ (X=Cl, Br, I) monolayers |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Applied Physics Letters |
Abbreviated Journal |
Appl Phys Lett |
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| |
Volume |
116 |
Issue |
19 |
Pages |
192404-192405 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using Floquet-Bloch theory, we propose to realize chiral topological phases in two-dimensional (2D) hexagonal FeX2 (X=Cl, Br, I) monolayers under irradiation of circularly polarized light. Such 2D FeX2 monolayers are predicted to be dynamically stable and exhibit both ferromagnetic and semiconducting properties. To capture the full topological physics of the magnetic semiconductor under periodic driving, we adopt ab initio Wannier-based tight-binding methods for the Floquet-Bloch bands, with the light-induced bandgap closings and openings being obtained as the light field strength increases. The calculations of slabs with open boundaries show the existence of chiral edge states. Interestingly, the topological transitions with branches of chiral edge states changing from zero to one and from one to two by tuning the light amplitude are obtained, showing that the topological Floquet phase of high Chern number can be induced in the present Floquet-Bloch systems. Published under license by AIP Publishing. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000533500900001 |
Publication Date |
2020-05-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0003-6951; 1077-3118 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4 |
Times cited |
13 |
Open Access |
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Notes |
; This work was supported by the Ministry of Science and Technology of China (MOST) (Grant No. 2016YFA0301604), the National Natural Science Foundation of China (NSFC) (Nos. 11574008, 11761161003, 11825401, and 11921005), the Strategic Priority Research Program of Chinese Academy of Science (Grant No. XDB28000000), the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl), and the FLAG-ERA Project TRANS 2D TMD. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation-Flanders (FWO) and the Flemish Government-Department EWI-and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. This research also used resources of the Compute and Data Environment for Science (CADES) at the Oak Ridge National Laboratory, which was supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. X.K. and L.L. also acknowledge the work conducted at the Center for Nanophase Materials Sciences, which is a U.S. Department of Energy Office of Science User Facility. ; |
Approved |
Most recent IF: 4; 2020 IF: 3.411 |
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Call Number |
UA @ admin @ c:irua:169496 |
Serial |
6623 |
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| Permanent link to this record |
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Author |
Vohra, A.; Makkonen, I.; Pourtois, G.; Slotte, J.; Porret, C.; Rosseel, E.; Khanam, A.; Tirrito, M.; Douhard, B.; Loo, R.; Vandervorst, W. |
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Title |
Source/drain materials for Ge nMOS devices: phosphorus activation in epitaxial Si, Ge, Ge1-xSnx and SiyGe1-x-ySnx |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Ecs Journal Of Solid State Science And Technology |
Abbreviated Journal |
Ecs J Solid State Sc |
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Volume |
9 |
Issue |
4 |
Pages |
044010-44012 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
This paper benchmarks various epitaxial growth schemes based on n-type group-IV materials as viable source/drain candidates for Ge nMOS devices. Si:P grown at low temperature on Ge, gives an active carrier concentration as high as 3.5 x 10(20) cm(-3) and a contact resistivity down to 7.5 x 10(-9) Omega.cm(2). However, Si:P growth is highly defective due to large lattice mismatch between Si and Ge. Within the material stacks assessed, one option for Ge nMOS source/drain stressors would be to stack Si:P, deposited at contact level, on top of a selectively grown n-SiyGe1-x-ySnx at source/drain level, in line with the concept of Si passivation of n-Ge surfaces to achieve low contact resistivities as reported in literature (Martens et al. 2011 Appl. Phys. Lett., 98, 013 504). The saturation in active carrier concentration with increasing P (or As)-doping is the major bottleneck in achieving low contact resistivities for as-grown Ge or SiyGe1-x-ySnx. We focus on understanding various dopant deactivation mechanisms in P-doped Ge and Ge1-xSnx alloys. First principles simulation results suggest that P deactivation in Ge and Ge1-xSnx can be explained both by P-clustering and donor-vacancy complexes. Positron annihilation spectroscopy analysis, suggests that dopant deactivation in P-doped Ge and Ge1-xSnx is primarily due to the formation of P-n-V and SnmPn-V clusters. (C) 2020 The Author(s). Published on behalf of The Electrochemical Society by IOP Publishing Limited. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000531473500002 |
Publication Date |
2020-04-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2162-8769; 2162-8777 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.2 |
Times cited |
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Open Access |
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Notes |
; The imec core CMOS program members, European Commission, the TAKEMI5 ECSEL project, local authorities and the imec pilot line are acknowledged for their support. Air Liquide Advanced Materials is acknowledged for providing advanced precursor gases. A. V. acknowledges his long stay abroad grant and a grant for participation in congress abroad from the Research Foundation-Flanders (Application No. V410518N and K159219N). I. M. acknowledges financial support from Academy of Finland (Project Nos. 285 809, 293 932 and 319 178). CSC-IT Center for Science, Finland is acknowledged for providing the computational resources. ; |
Approved |
Most recent IF: 2.2; 2020 IF: 1.787 |
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Call Number |
UA @ admin @ c:irua:169502 |
Serial |
6607 |
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| Permanent link to this record |
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Author |
Pourbabak, S.; Verlinden, B.; Van Humbeeck, J.; Schryvers, D. |
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Title |
DSC cycling effects on phase transformation temperatures of micron and submicron grain Ni50.8Ti49.2 microwires |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Shape memory and superelasticity |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-10 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The effect of thermal cycling parameters on the phase transformation temperatures of micron and submicron grain size recrystallized Ni-Ti microwires was investigated. The suppression of martensitic transformation by thermal cycling was found to enhance when combined with room temperature aging between the cycles and enhances even more when aged at elevated temperature of 100 degrees C. While aging at room temperature alone has no clear effect on the martensitic transformation, elevated temperature aging at 100 degrees C alone suppresses the martensitic transformation. All aforementioned effects were found to be stronger in large grain samples than in small grain samples. Martensitic transformation suppression in all cases was in line with the formation of Ni4Ti3 precursors in the form of < 111 & rang;(B2) Ni clusters as concluded from the observed diffuse intensity in the electron diffraction patterns revealing short-range ordering enhancement. Performing thermal cycling in some different temperature ranges to separate the effect of martensitic transformation and high temperature range of DSC cycling revealed that both high temperature- and martensitic transformation-included cycles enhance the short-range ordering. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000530232800001 |
Publication Date |
2020-05-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2199-384x; 2199-3858 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
1 |
Open Access |
Not_Open_Access |
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Notes |
; S.P. would like to thank the Flemish Science Foundation FWO for financial support under Project G.0366.15N. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:169514 |
Serial |
6492 |
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| Permanent link to this record |
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Author |
Monico, L.; Cartechini, L.; Rosi, F.; Chieli, A.; Grazia, C.; De Meyer, S.; Nuyts, G.; Vanmeert, F.; Janssens, K.; Cotte, M.; De Nolf, W.; Falkenberg, G.; Sandu, I.C.A.; Tveit, E.S.; Mass, J.; De Freitas, R.P.; Romani, A.; Miliani, C. |
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Title |
Probing the chemistry of CdS paints in The Scream by in situ noninvasive spectroscopies and synchrotron radiation x-ray techniques |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Science Advances |
Abbreviated Journal |
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Volume |
6 |
Issue |
20 |
Pages |
eaay3514 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The degradation of cadmium sulfide (CdS)-based oil paints is a phenomenon potentially threatening the iconic painting The Scream (ca. 1910) by Edvard Munch (Munch Museum, Oslo) that is still poorly understood. Here, we provide evidence for the presence of cadmium sulfate and sulfites as alteration products of the original CdS-based paint and explore the external circumstances and internal factors causing this transformation. Macroscale in situ noninvasive spectroscopy studies of the painting in combination with synchrotron-radiation x-ray microspectroscopy investigations of a microsample and artificially aged mock-ups show that moisture and mobile chlorine compounds are key factors for promoting the oxidation of CdS, while light (photodegradation) plays a less important role. Furthermore, under exposure to humidity, parallel/secondary reactions involving dissolution, migration through the paint, and recrystallization of water-soluble phases of the paint are associated with the formation of cadmium sulfates. |
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Place of Publication |
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Language |
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Wos |
000533573300009 |
Publication Date |
2020-05-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2375-2548 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
13.6 |
Times cited |
4 |
Open Access |
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Notes |
; The research was financially supported by the European research project IPERION-CH, funded by the European Commission, H2020-INFRAIA-2014-2015 (grant agreement no. 654028); the project AMIS, within the program Dipartimenti di Eccellenza 2018-2022 (funded by MIUR and University of Perugia); and the program “Ricerca di Base 2017” (funded by University of Perugia). S.D.M. and K.J. acknowledge the GOA Project SolarPaint from the University of Antwerp Research Council and projects G056619N and G054719N from FWO (Brussels). F.V. and K.J. acknowledge support from Interreg Project Smart*Light and thank BELSPO (Brussels) for financial support via FED-tWIN mandate PRF055. L.M. acknowledges the Erasmus+ program (Staff Mobility for training, A. Y. 2018 to 2019) of the European Commission. In situ noninvasive analyses were performed using the European MOLAB platform, which is financially supported by the European project IPERION-CH. For the beamtime grants received, the authors thank the ESRF-ID21 beamline (experiment nos. HG32, HG64, and HG95), DESY-P06 beamline, a member of the Helmholtz Association HGF (experiment nos. I-20130221 EC and I-20160126 EC), and the project CALIPSOplus under the Grant Agreement 730872 from the EU Framework Programme for Research and Innovation HORIZON 2020. ; |
Approved |
Most recent IF: 13.6; 2020 IF: NA |
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Call Number |
UA @ admin @ c:irua:169519 |
Serial |
6585 |
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Author |
Bafekry, A.; Stampfl, C.; Ghergherehchi, M. |
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Title |
Strain, electric-field and functionalization induced widely tunable electronic properties in MoS2/BC3, /C3N and / C3N4 van der Waals heterostructures |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Nanotechnology (Bristol. Print) |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
295202 pp |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
In this paper, the effect of BC3, C3N and C3N4BC(3) and MoS2/C(3)N4 heterostructures are direct semiconductors with band gaps of 0.4 and 1.74 eV, respectively, while MoS2/C3N is a metal. Furthermore, the influence of strain and electric field on the electronic structure of these van der Waals heterostructures is investigated. The MoS2/BC3 heterostructure, for strains larger than -4%, transforms it into a metal where the metallic character is maintained for strains larger than -6%. The band gap decreases with increasing strain to 0.35 eV (at +2%), while for strain (>+6%) a direct-indirect band gap transition is predicted to occur. For the MoS2/C3N heterostructure, the metallic character persists for all strains considered. On applying an electric field, the electronic properties of MoS2/C3N4 are modified and its band gap decreases as the electric field increases. Interestingly, the band gap reaches 30 meV at +0.8 V/angstrom, and with increase above +0.8 V/angstrom, a semiconductor-to-metal transition occurs. Furthermore, we investigated effects of semi- and full-hydrogenation of MoS2/C3N and we found that it leads to a metallic and semiconducting character, respectively. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000532366000001 |
Publication Date |
2020-04-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
0957-4484 |
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
19 |
Open Access |
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Notes |
; This work has supported by the National Research Foundation of Korea(NRF) grant funded by the Korea government(MSIT)(NRF-2017R1A2B2011989). ; |
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:169523 |
Serial |
6444 |
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| Permanent link to this record |
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Author |
Van Velthoven, N.; Henrion, M.; Dallenes, J.; Krajnc, A.; Bugaev, A.L.; Liu, P.; Bals, S.; Soldatov, A.; Mali, G.; De Vos, D.E. |
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Title |
S,O-functionalized metal-organic frameworks as heterogeneous single-site catalysts for the oxidative alkenylation of arenes via C- H activation |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Acs Catalysis |
Abbreviated Journal |
Acs Catal |
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Volume |
10 |
Issue |
9 |
Pages |
5077-5085 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Heterogeneous single-site catalysts can combine the R precise active site design of organometallic complexes with the efficient recovery of solid catalysts. Based on recent progress on homogeneous thioether ligands for Pd-catalyzed C-H activation reactions, we here develop a scalable metal-organic framework-based heterogeneous single-site catalyst containing S,O-moieties that increase the catalytic activity of Pd(II) for the oxidative alkenylation of arenes. The structure of the Pd@MOF-808-L1 catalyst was characterized in detail via solid-state nuclear magnetic resonance spectroscopy, N-2 physisorption, and high-angle annular dark field scanning transmission electron microscopy, and the structure of the isolated palladium active sites could be identified by X-ray absorption spectroscopy. A turnover frequency (TOF) of 8.4 h(-1) was reached after 1 h of reaction time, which was 3 times higher than the TOF of standard Pd(OAc)(2), ranking Pd@MOF-808-L1 among the most active heterogeneous catalysts ever reported for the nondirected oxidative alkenylation of arenes. Finally, we showed that the single-site catalyst promotes the oxidative alkenylation of a broad range of electron-rich arenes, and the applicability of this heterogeneous system was demonstrated by the gram-scale synthesis of industrially relevant products. |
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Wos |
000530090800026 |
Publication Date |
2020-04-06 |
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2155-5435 |
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UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.9 |
Times cited |
37 |
Open Access |
OpenAccess |
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Notes |
; The research leading to these results has received funding from the NMBP-01-2016 Program of the European Union's Horizon 2020 Framework Program H2020/2014-2020/under grant agreement no [720996]. N.V.V. and D.E.D.V. thank the FWO for funding (1S32917N and G0F2320N). D.E.D.V. is grateful for KU Leuven's support in the frame of the CASAS Metusalem project and a C3 type project. A.K. and G.M. acknowledge the financial support from the Slovenian Research Agency (research core funding no. P1-0021 and project no. N1-0079). A.L.B and A.V.S. acknowledge Russian Science Foundation grant no. 20-43-01015 for financial support. We thank Alexander Trigub and Alexey Veligzhanin for their support during the beamtime at Kurchatov Institute. We are indebted to Elizaveta Kamyshova and Anna Pnevskaya for their valuable help during EXAFS measurements. P.L. and S.B. thank European Research Council for the ERC Consolidator Grant 815128, REALNANO. Kassem Amro and Guillaume Gracy from Sikemia are gratefully acknowledged for providing ; sygma |
Approved |
Most recent IF: 12.9; 2020 IF: 10.614 |
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UA @ admin @ c:irua:169530 |
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6598 |
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