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Author |
Karakulina, O.M.; Demortière, A.; Dachraoui, W.; Abakumov, A.M.; Hadermann, J. |
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Title |
In Situ Electron Diffraction Tomography Using a Liquid-Electrochemical Transmission Electron Microscopy Cell for Crystal Structure Determination of Cathode Materials for Li-Ion batteries |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
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Volume |
18 |
Issue |
10 |
Pages |
6286-6291 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
We demonstrate that changes in the unit cell structure of lithium battery cathode materials during electrochemical cycling in liquid electrolyte can be determined for particles of just a few hundred nanometers in size using in situ transmission electron microscopy (TEM). The atomic coordinates, site occupancies (including lithium occupancy), and cell parameters of the materials can all be reliably quantified. This was achieved using electron diffraction tomography (EDT) in a sealed electrochemical cell with conventional liquid electrolyte (LP30) and LiFePO4 crystals, which have a well-documented charged structure to use as reference. In situ EDT in a liquid environment cell provides a viable alternative to in situ X-ray and neutron diffraction experiments due to the more local character of TEM, allowing for single crystal diffraction data to be obtained from multiphased powder samples and from submicrometer- to nanometer-sized particles. EDT is the first in situ TEM technique to provide information at the unit cell level in the liquid environment of a commercial TEM electrochemical cell. Its application to a wide range of electrochemical experiments in liquid environment cells and diverse types of crystalline materials can be envisaged. |
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Wos |
000447355400024 |
Publication Date |
2018-10-10 |
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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 |
1530-6984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.712 |
Times cited |
12 |
Open Access |
Not_Open_Access: Available from 08.09.2019
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Notes |
O.M. Karakulina, A.M. Abakumov and J. Hadermann acknowledge support from FWO under grant G040116N. A. Demortière wants to thank the French network on the electrochemical energy storage (RS2E), the Store-Ex Labex, for the financial support. Finally, the Fonds Européen de Développement Régional (FEDER), CNRS, Région Hauts-de-France, and Ministère de l’Education Nationale de l’Enseignement Supérieur et de la Recherche are acknowledged for funding. |
Approved |
Most recent IF: 12.712 |
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Call Number  |
EMAT @ emat @c:irua:154750 |
Serial |
5063 |
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Author |
Serrano-Sevillano, J.; Reynaud, M.; Saracibar, A.; Altantzis, T.; Bals, S.; van Tendeloo, G.; Casas-Cabanas, M. |
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Title |
Enhanced electrochemical performance of Li-rich cathode materials through microstructural control |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
20 |
Issue |
20 |
Pages |
23112-23122 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The microstructural complexity of Li-rich cathode materials has so far hampered understanding the critical link between size, morphology and structural defects with both capacity and voltage fadings that this family of materials exhibits. Li2MnO3 is used here as a model material to extract reliable structure–property
relationships that can be further exploited for the development of high-performing and long-lasting Li-rich oxides. A series of samples with microstructural variability have been prepared and thoroughly characterized using the FAULTS software, which allows quantification of planar defects and extraction of
average crystallite sizes. Together with transmission electron microscopy (TEM) and density functional theory (DFT) results, the successful application of FAULTS analysis to Li2MnO3 has allowed rationalizing the synthesis conditions and identifying the individual impact of concurrent microstructural features on
both voltage and capacity fadings, a necessary step for the development of high-capacity Li-ion cathode materials with enhanced cycle life. |
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Wos |
000445220500071 |
Publication Date |
2018-08-24 |
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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 |
1463-9076 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.123 |
Times cited |
36 |
Open Access |
OpenAccess |
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Notes |
This work was supported by the Spanish Ministerio de la Economı´a y de la Competitividad through the project IONSTORE (MINECO ref. ENE2016-81020-R). The research leading to these results has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483 – ESTEEM2 (Integrated Infrastructure Initiative-I3). JSS and AS are grateful for computing time provided by the Spanish i2Basque Centers. MR acknowledges the Spanish State for its financial support through her post-doctoral grant Juan de la Cierva – Formacio´n (MINECO ref. FJCI-2014-19990) and her international mobility grant Jose´ Castillejos (MECD ref. CAS15/00354). S. B. acknowledges funding from the European Research Council (ERC starting grant #335078 Colouratom) and T. A. a postdoctoral grant from the Research Foundation Flanders (FWO). (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); ecas_sara |
Approved |
Most recent IF: 4.123 |
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Call Number |
EMAT @ emat @c:irua:154782UA @ admin @ c:irua:154782 |
Serial |
5062 |
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Author |
Liao, Z.; Gauquelin, N.; Green, R.J.; Müller-Caspary, K.; Lobato, I.; Li, L.; Van Aert, S.; Verbeeck, J.; Huijben, M.; Grisolia, M.N.; Rouco, V.; El Hage, R.; Villegas, J.E.; Mercy, A.; Bibes, M.; Ghosez, P.; Sawatzky, G.A.; Rijnders, G.; Koster, G. |
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Title |
Metal–insulator-transition engineering by modulation tilt-control in perovskite nickelates for room temperature optical switching |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
America |
Abbreviated Journal |
P Natl Acad Sci Usa |
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Volume |
115 |
Issue |
38 |
Pages |
9515-9520 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
In transition metal perovskites ABO3 the physical properties are largely driven by the rotations of the BO6 octahedra, which can be tuned in thin films through strain and dimensionality control. However, both approaches have fundamental and practical limitations due to discrete and indirect variations in bond angles, bond lengths and film symmetry by using commercially available substrates. Here, we introduce modulation tilt control as a new approach to tune the ground state of perovskite oxide thin films by acting explicitly on the oxygen octahedra rotation modes, i.e. directly on the bond angles. By intercalating the prototype SmNiO3 target material with a tilt-control layer, we cause the system to change the natural amplitude of a given rotation mode without affecting the interactions. In contrast to strain and dimensionality engineering, our method enables a continuous fine-tuning of the materials properties. This is achieved through two independent adjustable parameters: the nature of the tilt-control material (through its symmetry, elastic constants and oxygen rotation angles) and the relative thicknesses of the target and tilt-control materials. As a result, a magnetic and electronic phase diagram can be obtained, normally only accessible by A-site element substitution, within the single SmNiO3 compound. With this unique approach, we successfully adjusted the metal-insulator transition (MIT) to room temperature to fulfill the desired conditions for optical switching applications. |
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Wos |
000447224900057 |
Publication Date |
2018-09-05 |
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Abbreviated Series Title |
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Edition |
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ISSN |
0027-8424 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.661 |
Times cited |
50 |
Open Access |
OpenAccess |
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Notes |
We would like to acknowledge Prof. Z. Zhong for stimulated discussion. M.H., G.K. and G.R. acknowledge funding from DESCO program of the Dutch Foundation for Fundamental Research on Matter (FOM) with financial support from the Netherlands Organization for Scientific Research (NWO). This work was funded by the European Union Council under the 7th Framework Program (FP7) grant nr NMP3-LA-2010-246102 IFOX. J.V., S.V.A, N.G. and K.M.C. acknowledge funding from FWO projects G.0044.13N, G.0374.13N, G. 0368.15N, and G.0369.15N. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. N.G. acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant 278510 VORTEX. N.G. and J.V. acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative (Reference No. 312483- ESTEEM2). The Canadian work was supported by NSERC and the Max Planck-UBC Centre for Quantum Materials. Some experiments for this work were performed at the Canadian Light Source, which is funded by the Canada Foundation for Innovation, NSERC, the National Research Council of Canada, the Canadian Institutes of Health Research, the Government of Saskatchewan, Western Economic Diversification Canada, and the University of Saskatchewan. MB acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC CoG grant MINT #615759. A.M. and Ph.G. were supported by the ARC project AIMED and F.R.S-FNRS PDR project HiT4FiT and acknowledge access to Céci computing facilities funded by F.R.S-FNRS (Grant No 2.5020.1), Tier-1 supercomputer of the Fédération Wallonie-Bruxelles funded by the Walloon Region (Grant No 1117545) and HPC resources from the PRACE project Megapasta. |
Approved |
Most recent IF: 9.661 |
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Call Number |
EMAT @ emat @c:irua:154784UA @ admin @ c:irua:154784 |
Serial |
5059 |
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Author |
Jimenez-Mena, N.; Jacques, P.J.; Ding, L.; Gauquelin, N.; Schryvers, D.; Idrissi, H.; Delannay, F.; Simar, A. |
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Title |
Enhancement of toughness of Al-to-steel Friction Melt Bonded welds via metallic interlayers |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Materials science and engineering: part A: structural materials: properties, microstructure and processing |
Abbreviated Journal |
Mat Sci Eng A-Struct |
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Volume |
740-741 |
Issue |
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Pages |
274-284 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The toughness of Al-to-steel welds decreases with increasing thickness of the intermetallic (IM) layer formed at the interface. Co plating has been added as interlayer in Al-to-steel Friction Melt Bonded (FMB) welds to control the nature and thickness of the IM layer. In comparison to a weld without interlayer, Co plating brings about a reduction of the thickness of the IM layer by 70%. The critical energy release rate of the crack propagating in the weld is used as an indicator of toughness. It is evaluated via an adapted crack propagation test using an energy conservation criterion. For a weld without interlayer, critical energy release rate is found to increase when the thickness of the intermetallic layer decreases. When the intermetallic layer is thick, the crack propagates in a brittle manner through the intermetallic whereas, at low layer thickness, the crack deviates and partially propagates through the Al plate, which causes an increase of toughness. The use of a Co interlayer brings about an increase of toughness by causing full deviation of the crack towards the Al plate. |
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Wos |
000453494500029 |
Publication Date |
2018-10-24 |
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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 |
0921-5093 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.094 |
Times cited |
4 |
Open Access |
Not_Open_Access: Available from 25.10.2020
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Notes |
The authors acknowledge the financial support of the Interuniversity Attraction Poles Program from the Belgian State through the Belgian Policy Agency, Belgium, contract IAP7/21 INTEMATE. N. Jimenez-Mena acknowledges the financial support of the (Fonds pour la formation à la recherchedans l'industrie et dans l'agriculture (FRIA), Belgium. A. Simar acknowledges the financial support of the (European Research Council – Starting Grant (ERC-StG), project ALUFIX, grant agreement no 716678. H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS), Belgium. The authors also acknowledge M. Coulombier for the help provided in the measurement of the friction coefficient, and T. Pardoen and F. Lani for the fruitful discussions. |
Approved |
Most recent IF: 3.094 |
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Call Number |
EMAT @ emat @c:irua:154866UA @ admin @ c:irua:154866 |
Serial |
5061 |
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Author |
Cautaerts, N.; Delville, R.; Stergar, E.; Schryvers, D.; Verwerft, M. |
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Title |
Characterization of (Ti,Mo,Cr)C nanoprecipitates in an austenitic stainless steel on the atomic scale |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
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Volume |
164 |
Issue |
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Pages |
90-98 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Nanometer sized (Ti,Mo,Cr)C (MX-type) precipitates that grew in a 24% cold worked Ti-stabilized austenitic stainless steel (grade DIN 1.4970, member of the 15-15Ti austenitic stainless steels) after heat treatment were fully characterized with transmission electron microscopy (TEM), probe corrected high angle annular dark field scanning transmission electron microscopy (HR-HAADF STEM), and atom probe tomography (APT). The precipitates shared the cube-on-cube orientation with the matrix and were facetted on {111} planes, yielding octahedral and elongated octahedral shapes. The misfit dislocations were believed to have Burgers vectors a/6<112> which was verified by geometrical phase analysis (GPA) strain mapping of a matrix-precipitate interface. The dislocations were spaced five to seven atomic
planes apart, on average slightly wider than expected for the lattice parameters of steel and TiC. Quantitative atom probe tomography analysis of the precipitates showed that precipitates were significantly enriched in Mo, Cr and V, and that they were hypostoichiometric with respect to C. These findings were consistent with a reduced lattice parameter. The precipitates were found primarily on Shockley
partial dislocations originating from the original perfect dislocation network. These novel findings could contribute to the understanding of how TiC nanoprecipitates interact with point defects and matrix dislocations. This is essential for the application of these Ti-stabilized steels in high temperature environments or fast spectrum nuclear fission reactors. |
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Wos |
000456902800008 |
Publication Date |
2018-10-11 |
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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 |
1359-6454 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.301 |
Times cited |
2 |
Open Access |
Not_Open_Access: Available from 12.10.2020
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Notes |
This work was supported by ENGIE [contract number 2015-AC- 007 e BSUEZ6900]; the U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office Contract DE-AC07- 051D14517 as part of a Nuclear Science User Facilities experiment; and by the MYRRHA program in development at SCKCEN, Belgium. Special thanks to Dr. H. Mezerji and Dr. T. Altantzis for the work on the FEI Titan microscope.We also want to thank Ms. J. Burns for the help on the FIB and Dr. Y. Wu at CAES for conducting the APT measurements. |
Approved |
Most recent IF: 5.301 |
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Call Number |
EMAT @ emat @c:irua:154873UA @ admin @ c:irua:154873 |
Serial |
5060 |
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Author |
Yang, C.; Batuk, M.; Jacquet, Q.; Rousse, G.; Yin, W.; Zhang, L.; Hadermann, J.; Abakumov, A.M.; Cibin, G.; Chadwick, A.; Tarascon, J.-M.; Grimaud, A. |
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Title |
Revealing pH-Dependent Activities and Surface Instabilities for Ni-Based Electrocatalysts during the Oxygen Evolution Reaction |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
ACS energy letters |
Abbreviated Journal |
Acs Energy Lett |
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Volume |
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Issue |
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Pages |
2884-2890 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Multiple electrochemical processes are involved at the catalyst/ electrolyte interface during the oxygen evolution reaction (OER). With the purpose of elucidating the complexity of surface dynamics upon OER, we systematically studied two Ni-based crystalline oxides (LaNiO3−δ and La2Li0.5Ni0.5O4) and compared them with the state-of-the-art Ni−Fe (oxy)- hydroxide amorphous catalyst. Electrochemical measurements such as rotating ring disk electrode (RRDE) and electrochemical quartz microbalance microscopy (EQCM) coupled with a series of physical characterizations including transmission electron microscopy (TEM) and X-ray absorption spectroscopy (XAS) were conducted to unravel the exact pH effect on both the OER activity and the catalyst stability. We demonstrate that for Ni-based crystalline catalysts the rate for surface degradation depends on the pH and is greater than the rate for surface reconstruction. This behavior is unlike that for the amorphous Ni oxyhydroxide catalyst, which is found to be more stable and pH-independent. |
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Wos |
000453805100005 |
Publication Date |
2018-11-08 |
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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 |
2380-8195 |
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 |
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Open Access |
Not_Open_Access: Available from 06.11.2019
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Notes |
C.Y., J.-M.T., and A.G. acknowledge funding from the European Research Council (ERC) (FP/2014)/ERC GrantProject 670116-ARPEMA. A.G. acknowledges financial support from the ANR MIDWAY (Project ID ANR-17-CE05- 0008). We acknowledge Diamond Light Source for time awarded to the Energy Materials BAG on Beamline B18, under Proposal sp12559. |
Approved |
Most recent IF: NA |
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Call Number |
EMAT @ emat @c:irua:155046 |
Serial |
5067 |
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Author |
Lak, A.; Cassani, M.; Mai, B.T.; Winckelmans, N.; Cabrera, D.; Sadrollahi, E.; Marras, S.; Remmer, H.; Fiorito, S.; Cremades-Jimeno, L.; Litterst, F.J.; Ludwig, F.; Manna, L.; Teran, F.J.; Bals, S.; Pellegrino, T. |
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Title |
Fe2+Deficiencies, FeO Subdomains, and Structural Defects Favor Magnetic Hyperthermia Performance of Iron Oxide Nanocubes into Intracellular Environment |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
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Volume |
18 |
Issue |
18 |
Pages |
6856-6866 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Herein, by studying a stepwise phase transformation of 23 nm FeO-Fe3O4 core-shell nanocubes into Fe3O4, we identify a composition at which the magnetic heating performance of the nanocubes is not affected by the medium viscosity and aggregation. Structural and magnetic characterizations reveal the transformation of the FeO-Fe3O4 nanocubes from having stoichiometric phase compositions into Fe2+ deficient Fe3O4 phases. The resultant nanocubes contain tiny compressed and randomly distributed FeO sub-domains as well as structural defects. This phase transformation causes a tenfold increase in the magnetic losses of the nanocubes, which remains exceptionally insensitive to the medium viscosity as well as aggregation unlike similarly sized single-phase magnetite nanocubes. We observe that the dominant relaxation mechanism switches from Néel in fresh core-shell nanocubes to Brownian in partially oxidized nanocubes and once again to Néel in completely treated nanocubes. The Fe2+ deficiencies and structural defects appear to reduce the magnetic energy barrier and anisotropy field, thereby driving the overall relaxation into Néel process. The magnetic losses of the particles remain unchanged through a progressive internalization/association to ovarian cancer cells. Moreover, the particles induce a significant cell death after being exposed to hyperthermia treatment. Here, we present the largest heating performance that has been reported to date for 23 nm iron oxide nanoparticles under cellular and intracellular conditions. Our findings clearly demonstrate the positive impacts of the Fe2+ deficiencies and structural defects in the Fe3O4 structure on the heating performance under cellular and intracellular conditions. |
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Wos |
000451102100028 |
Publication Date |
2018-11-14 |
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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 |
1530-6984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.712 |
Times cited |
51 |
Open Access |
OpenAccess |
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Notes |
This work is partially funded by the European Research Council (starting grant ICARO, Contract No. 678109 and COLOURATOM-335078), Spanish Ministry of Economy and Competitiveness (MAT2016-81955-REDT, SEV-2016-0686, MAT2017-85617-R) Comunidad de Madrid (NANOFRONTMAG-CM, S2013/MIT-2850), the European COST Action TD1402 (RADIOMAG), and Ramon y Cajal subprogram (RYC-2011-09617). Financial support from the Deutsche Forschungsgemeinschaft, DFG Priority Program 1681 (LU800/4-3). S.B. and N.W. acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through Project funding G038116N. A.L. acknowledges the Alexander von Humboldt Foundation for the Postdoctoral Research Fellow funding. Mr Emilio J. Artés from the Advanced Instrumentation Unit (iMdea Nanociencia) is acknowledged for his technical assistance. L. M acknowledges the predoctoral fellowship funded from Comunidad de Madrid (PEJD-2017-PRE/IND-4189). Authors thank Tiziano Catelani and Doriana Debellis for the preparation of TEM cell samples (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ecas_Sara |
Approved |
Most recent IF: 12.712 |
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Call Number |
EMAT @ emat @c:irua:155439UA @ admin @ c:irua:155439 |
Serial |
5072 |
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Author |
Feld, A.; Weimer, A.; Kornowski, A.; Winckelmans, N.; Merkl, J.-P.; Kloust, H.; Zierold, R.; Schmidtke, C.; Schotten, T.; Riedner, M.; Bals, S.; Weller, P.D., Horst |
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Title |
Chemistry of Shape-Controlled Iron Oxide Nanocrystal Formation |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
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Volume |
13 |
Issue |
13 |
Pages |
152-162 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Herein we demonstrate that meticulous and in-depth analysis of the reaction mechanisms of nanoparticle formation is rewarded by full control of size, shape and crystal structure of superparamagnetic iron oxide nanocrystals during synthesis. Starting from two iron sources – iron(II)- and iron(III) carbonate -a strict separation of oleate formation from the generation of reactive pyrolysis products and concomitant nucleation of iron oxide nanoparticles was achieved. This protocol enabled us to analyze each step of nanoparticle formation independently in depth. Progress of the entire reaction was monitored via matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF MS) and gas chromatography (GC) gaining insight into the formation of various iron oleate species prior to nucleation. Interestingly, due to the intrinsic strongly reductive pyrolysis conditions of the oleate intermediates and redox process in early stages of the synthesis, pristine iron oxide nuclei were composed exclusively from wustite, irrespective of the oxidation state of the iron source. Controlling the reaction conditions provided a very broad range of size- and shape defined monodisperse iron oxide nanoparticles. Curiously, after nucleation star shaped nanocrystals were obtained, which underwent metamorphism towards cubic shaped particles. EELS tomography revealed ex post oxidation of the primary wustite nanocrystal providing a full 3D image of Fe2+ and Fe3+ distribution within. Overall, we developed a highly flexible synthesis, yielding multigram amounts of well-defined iron oxide nanocrystals of different sizes and morphologies. |
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Place of Publication |
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Wos |
000456749900017 |
Publication Date |
2018-12-12 |
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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 |
1936-0851 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
13.942 |
Times cited |
54 |
Open Access |
OpenAccess |
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Notes |
The authors gratefully acknowledge financial support from the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) – Projektnummer 192346071 – SFB 986 and the excellence cluster ‘The Hamburg Centre for Ultrafast Imaging – Structure, Dynamics and Control of Matter at the Atomic Scale’ (by grant EXC 1074) S.B. and N.W. acknowledge financial support from European Research Council (ERC Starting Grant #335078-COLOURATOMS) and from the Research Foundation Flanders (FWO, Belgium) through Project fundings G038116N. Dr. Volker Sauerland for his support in calibrating the MALDI-TOF spectra. Almut Bark for measuring XRD (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ecas_sara |
Approved |
Most recent IF: 13.942 |
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Call Number |
EMAT @ emat @c:irua:155716UA @ admin @ c:irua:155716 |
Serial |
5073 |
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| Permanent link to this record |
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Author |
Vanrompay, H.; Bladt, E.; Albrecht, W.; Béché, A.; Zakhozheva, M.; Sánchez-Iglesias, A.; Liz-Marzán, L.M.; Bals, S. |
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Title |
3D characterization of heat-induced morphological changes of Au nanostars by fast in situ electron tomography |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
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| |
Volume |
10 |
Issue |
10 |
Pages |
22792-22801 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
A thorough understanding of the thermal stability and potential reshaping of anisotropic gold nanostars is required for various potential applications. Combination of a tomographic heating holder with fast tilt series acquisition has been used to monitor temperature-induced morphological changes of Au nanostars. The outcome of our 3D investigations can be used as an input for boundary element method simulations, enabling us to investigate the influence of reshaping on the nanostars’ plasmonic properties. Our work leads to a better understanding of the mechanism behind thermal reshaping. In addition, the approach presented here is generic and can hence be applied to a wide variety of nanoparticles made of different materials and with arbitrary morphology. |
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Wos |
000453248100010 |
Publication Date |
2018-11-28 |
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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 |
2040-3364 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.367 |
Times cited |
55 |
Open Access |
OpenAccess |
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Notes |
H.V. acknowledges financial support by the Research Foundation Flanders (FWO grant 1S32617N). E.B. acknowledges a post-doctoral grant from the Research Foundation Flanders (FWO, Belgium). W.A. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in Horizon 2020. The authors acknowledge funding from European Commission Grant (EUSMI 731019 to S.B., L.M.L.-M. and M.Z. and MUMMERING 765604 to S.B. and M.Z.). S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078- COLOURATOMS).; Ecas_sara |
Approved |
Most recent IF: 7.367 |
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Call Number |
EMAT @ emat @c:irua:155718UA @ admin @ c:irua:155718 |
Serial |
5071 |
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| Permanent link to this record |
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Author |
Lumbeeck, G.; Idrissi, H.; Amin-Ahmadi, B.; Favache, A.; Delmelle, R.; Samaee, V.; Proost, J.; Pardoen, T.; Schryvers, D. |
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Title |
Effect of hydriding induced defects on the small-scale plasticity mechanisms in nanocrystalline palladium thin films |
Type |
A1 Journal Article |
| |
Year |
2018 |
Publication |
Journal Of Applied Physics |
Abbreviated Journal |
J Appl Phys |
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| |
Volume |
124 |
Issue |
22 |
Pages |
225105 |
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| |
Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
Nanoindentation tests performed on nanocrystalline palladium films subjected to hydriding/dehydriding cycles demonstrate a significant softening when compared to the as-received material. The origin of this softening is unraveled by combining in situ TEM nanomechanical testing with automated crystal orientation mapping in TEM and high resolution TEM. The softening is attributed to the presence of a high density of stacking faults and of Shockley partial dislocations after hydrogen loading. The hydrogen induced defects affect the elementary plasticity mechanisms and the mechanical response by acting as preferential sites for twinning/detwinning during deformation. These results are analyzed and compared to previous experimental and simulation works in the literature. This study provides new insights into the effect of hydrogen on the atomistic deformation and cracking mechanisms as well as on the mechanical properties of nanocrystalline thin films and membranes. |
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Wos |
000453254000025 |
Publication Date |
2018-12-14 |
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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 |
0021-8979 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
2 |
Open Access |
Not_Open_Access |
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Notes |
This work was supported by the Hercules Foundation under Grant No. AUHA13009, the Flemish Research Fund (FWO) under Grant No. G.0365.15N, and the Flemish Strategic Initiative for Materials (SIM) under the project InterPoCo. Dr. H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). We would like to thank Dr. Hadi Pirgazi from UGent for his technical support to process the ACOM data in the OIM Analysis software. |
Approved |
Most recent IF: 2.068 |
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Call Number |
EMAT @ emat @c:irua:155742 |
Serial |
5135 |
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Author |
Kutukov, P.; Rumyantseva, M.; Krivetskiy, V.; Filatova, D.; Batuk, M.; Hadermann, J.; Khmelevsky, N.; Aksenenko, A.; Gaskov, A. |
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Title |
Influence of Mono- and Bimetallic PtOx, PdOx, PtPdOx Clusters on CO Sensing by SnO2 Based Gas Sensors |
Type |
A1 Journal Article |
| |
Year |
2018 |
Publication |
Nanomaterials |
Abbreviated Journal |
Nanomaterials-Basel |
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Volume |
8 |
Issue |
11 |
Pages |
917 |
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Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
To obtain a nanocrystalline SnO2 matrix and mono- and bimetallic nanocomposites SnO2/Pd, SnO2/Pt, and SnO2/PtPd, a flame spray pyrolysis with subsequent impregnation was used. The materials were characterized using X-ray diffraction (XRD), a single-point BET method, transmission electron microscopy (TEM), and high angle annular dark field scanning transmission electron microscopy (HAADF-STEM) with energy dispersive X-ray (EDX) mapping. The electronic state of the metals in mono- and bimetallic clusters was determined using X-ray photoelectron spectroscopy (XPS). The active surface sites were investigated using the Fourier Transform infrared spectroscopy (FTIR) and thermo-programmed reduction with hydrogen (TPR-H-2) methods. The sensor response of blank SnO2 and nanocomposites had a carbon monoxide (CO) level of 6.7 ppm and was determined in the temperature range 60-300 degrees C in dry (Relative Humidity (RH) = 0%) and humid (RH = 20%) air. The sensor properties of the mono- and bimetallic nanocomposites were analyzed on the basis of information on the electronic state, the distribution of modifiers in SnO2 matrix, and active surface centers. For SnO2/PtPd, the combined effect of the modifiers on the electrophysical properties of SnO2 explained the inversion of sensor response from n- to p-types observed in dry conditions. |
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Wos |
000451316100052 |
Publication Date |
2018-11-07 |
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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 |
2079-4991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.553 |
Times cited |
7 |
Open Access |
Not_Open_Access |
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Notes |
This research was funded by the Russian Ministry of Education and Sciences (Agreement No. 14.613.21.0075, RFMEFI61317X0075). |
Approved |
Most recent IF: 3.553 |
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Call Number |
EMAT @ emat @c:irua:155767 |
Serial |
5139 |
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Author |
Hasanli, N.; Gauquelin, N.; Verbeeck, J.; Hadermann, J.; Hayward, M.A. |
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Title |
Small-moment paramagnetism and extensive twinning in the topochemically reduced phase Sr2ReLiO5.5 |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Journal of the Chemical Society : Dalton transactions |
Abbreviated Journal |
Dalton T |
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Volume |
47 |
Issue |
44 |
Pages |
15783-15790 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Reaction of the cation-ordered double perovskite Sr2ReLiO6 with dilute hydrogen at 475 degrees C leads to the topochemical deintercalation of oxide ions from the host lattice and the formation of a phase of composition Sr2ReLiO5.5, as confirmed by thermogravimetric and EELS data. A combination of neutron and electron diffraction data reveals the reduction process converts the -Sr2O2-ReLiO4-Sr2O2-ReLiO4- stacking sequence of the parent phase into a -Sr2O2-ReLiO3-Sr2O2-ReLiO4-, partially anion-vacant ordered sequence. Furthermore a combination of electron diffraction and imaging reveals Sr2ReLiO5.5 exhibits extensive twinning – a feature which can be attributed to the large, anisotropic volume expansion of the material on reduction. Magnetisation data reveal a strongly reduced moment of (eff) = 0.505(B) for the d(1) Re6+ centres in the phase, suggesting there remains a large orbital component to the magnetism of the rhenium centres, despite their location in low symmetry coordination environments. |
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Wos |
000450208000019 |
Publication Date |
2018-10-18 |
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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 |
1477-9226 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
4.029 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
Experiments at the Diamond Light Source were performed as part of the Block Allocation Group award “Oxford Solid State Chemistry BAG to probe composition-structure-property relationships in solids” (EE13284). Experiments at the ISIS pulsed neutron facility were supported by a beam time allocation from the STFC. NH acknowledges funding from the “State Programme on Education of Azerbaijani Youth Abroad in 2007-2015” by the Ministry of Education of Azerbaijan. J. V. and N. G. acknowledge funding through the GOA project “Solarpaint” of the University of Antwerp. The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. |
Approved |
Most recent IF: 4.029 |
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Call Number |
EMAT @ emat @c:irua:155771 |
Serial |
5137 |
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Author |
Samaee, V.; Gatti, R.; Devincre, B.; Pardoen, T.; Schryvers, D.; Idrissi, H. |
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Title |
Dislocation driven nanosample plasticity: new insights from quantitative in-situ TEM tensile testing |
Type |
A1 Journal Article |
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Year |
2018 |
Publication |
Scientific Reports |
Abbreviated Journal |
Sci Rep-Uk |
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Volume |
8 |
Issue |
1 |
Pages |
12012 |
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Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
Intrinsic dislocation mechanisms in the vicinity of free surfaces of an almost FIB damage-free single crystal Ni sample have been quantitatively investigated owing to a novel sample preparation method combining twin-jet electro-polishing, in-situ TEM heating and FIB. The results reveal that the small-scale plasticity is mainly controlled by the conversion of few tangled dislocations, still present after heating, into stable single arm sources (SASs) as well as by the successive operation of these sources. Strain hardening resulting from the operation of an individual SAS is reported and attributed to the decrease of the length of the source. Moreover, the impact of the shortening of the dislocation source on the intermittent plastic flow, characteristic of SASs, is discussed. These findings provide essential information for the understanding of the regime of ‘dislocation source’ controlled plasticity and the related mechanical size effect. |
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Wos |
000460200900001 |
Publication Date |
2018-08-07 |
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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 |
2045-2322 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.259 |
Times cited |
9 |
Open Access |
Not_Open_Access |
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Notes |
Financial support from the Flemish (FWO) and German Research Foundation (DFG) through the European M-ERA.NET project “FaSS” (Fatigue Simulation near Surfaces) under the grant numbers GA.014.13 N and SCHW855/5-1, respectively, is gratefully acknowledged. V. Samaee also acknowledges the FWO research project G012012N “Understanding nanocrystalline mechanical behaviour from structural investigations”. H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). Dr. Ruth Schwaiger is acknowledged for providing the Ni foils used to prepare the in-situ TEM tensile specimens. |
Approved |
Most recent IF: 4.259 |
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Call Number |
EMAT @ emat @c:irua:155772 |
Serial |
5136 |
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Author |
Barreca, D.; Gri, F.; Gasparotto, A.; Altantzis, T.; Gombac, V.; Fornasiero, P.; Maccato, C. |
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Title |
Insights into the Plasma-Assisted Fabrication and Nanoscopic Investigation of Tailored MnO2Nanomaterials |
Type |
A1 Journal Article |
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Year |
2018 |
Publication |
Inorganic Chemistry |
Abbreviated Journal |
Inorg Chem |
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Volume |
57 |
Issue |
23 |
Pages |
14564-14573 |
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Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
Among transition metal oxides, MnO2 is of considerable importance for various technological end-uses,from heterogeneous catalysis to gas sensing, owing to its
structural flexibility and unique properties at the nanoscale. In this work, we demonstrate the successful fabrication of supported MnO2 nanomaterials by a catalyst-free, plasmaassisted process starting from a fluorinated manganese(II)
molecular source in Ar/O2 plasmas. A thorough multitechnique characterization aimed at the systematic investigation of material structure, chemical composition, and
morphology revealed the formation of F-doped, oxygendeficient, MnO2-based nanomaterials, with a fluorine content tunable as a function of growth temperature (TG). Whereas phase-pure β-MnO2 was obtained for 100 °C ≤ TG ≤ 300 °C, the formation of mixed phase MnO2 + Mn2O3 nanosystems took place at 400 °C. In addition, the system nano-organization could be finely tailored, resulting in a controllable evolution from wheat-ear columnar arrays to high aspect ratio pointed-tip nanorod assemblies. Concomitantly, magnetic force microscopy analyses suggested the formation of spin domains with features dependent on material morphology. Preliminary tests in Vislight activated photocatalytic degradation of rhodamine B aqueous solutions pave the way to possible applications of the target materials in wastewater purification. |
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Place of Publication |
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Language |
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Wos |
000452344400016 |
Publication Date |
2018-12-03 |
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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 |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.857 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
The present work was financially supported by Padova University DOR 2016−2018 and P-DiSC #03BIRD2016- UNIPD projects. T.A. acknowledges a postdoctoral grant from the Research Foundation Flanders (FWO). Thanks are also due to Prof. Sara Bals (EMAT, University of Antwerp, Belgium) and to Dr. Giorgio Carraro (Department of Chemical Sciences, Padova University, Italy) for valuable support and experimental assistance. |
Approved |
Most recent IF: 4.857 |
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Call Number |
EMAT @ emat @c:irua:156245 |
Serial |
5147 |
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Author |
He, L.; Wang, H.; Chen, L.; Wang, X.; Xie, H.; Jiang, C.; Li, C.; Elibol, K.; Meyer, J.; Watanabe, K.; Taniguchi, T.; Wu, Z.; Wang, W.; Ni, Z.; Miao, X.; Zhang, C.; Zhang, D.; Wang, H.; Xie, X. |
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Title |
Isolating hydrogen in hexagonal boron nitride bubbles by a plasma treatment |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
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Volume |
10 |
Issue |
1 |
Pages |
2815 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Atomically thin hexagonal boron nitride (h-BN) is often regarded as an elastic film that is impermeable to gases. The high stabilities in thermal and chemical properties allow h-BN to serve as a gas barrier under extreme conditions. Here, we demonstrate the isolation of hydrogen in bubbles of h-BN via plasma treatment. Detailed characterizations reveal that the substrates do not show chemical change after treatment. The bubbles are found to withstand thermal treatment in air, even at 800°C. Scanning transmission electron microscopy investigation shows that the h-BN multilayer has a unique aligned porous stacking nature, which is essential for the character of being transparent to atomic hydrogen but impermeable to hydrogen molecules. In addition, we successfully demonstrated the extraction of hydrogen gases from gaseous compounds or mixtures containing hydrogen element. The successful production of hydrogen bubbles on h-BN flakes has potential for further application in nano/ micro-electromechanical systems and hydrogen storage. |
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Language |
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Wos |
000473002500004 |
Publication Date |
2019-06-27 |
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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 |
2041-1723 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.124 |
Times cited |
8 |
Open Access |
Not_Open_Access |
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Notes |
The work was partially supported by the National Key R&D program (Grant No. 2017YFF0206106), the Strategic Priority Research Program of Chinese Academy of Sciences (Grant No. XDB30000000), the National Science Foundation of China (Grant Nos. 51772317, 51302096), the Science and Technology Commission of Shanghai Municipality (Grant No. 16ZR1442700), the Hubei Provincial Natural Science Foundation of China (Grant No. ZRMS2017000370), and the Fundamental Research Funds of Wuhan City (No. 2016060101010075). K.W. and T.T. acknowledge support from the Elemental Strategy Initiative conducted by the MEXT, Japan and JSPS KAKENHI Grant Numbers JP15K21722. C.L. acknowledges support from the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie Grants No. 656378—Interfacial Reactions. L.H. acknowledges financial support from the program of China Scholarships Council (No. 201706160037). H.W. and D.Z. thank Y. Gu, Y. Ma, X. Chen (Shanghai Institute of Technical Physics, Chinese Academy of Sciences) for FTIR spectra measurement. L.C. and L.H. thank Q. Liu and Z. Liu (Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences) for measurement in XPS spectra and mass spectra. |
Approved |
Most recent IF: 12.124 |
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Call Number |
EMAT @ emat @c:irua:160714 |
Serial |
5191 |
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Author |
Albrecht, W.; Bladt, E.; Vanrompay, H.; Smith, J.D.; Skrabalak, S.E.; Bals, S. |
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Title |
Thermal Stability of Gold/Palladium Octopods Studied in Situ in 3D: Understanding Design Rules for Thermally Stable Metal Nanoparticles |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
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Volume |
13 |
Issue |
13 |
Pages |
6522-6530 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Multifunctional metal nanoparticles (NPs) such as anisotropic multimetallic NPs are crucial for boosting nanomaterial based applications. Advanced synthetic protocols exist to make a large variety of such nanostructures. However, a major limiting factor for the usability of them in real life applications is their stability. Here, we show that Au/Pd octopods, 8-branched nanocrystals with Oh symmetry, with only a low amount of Pd exhibited a high thermal stability and maintained strong plasmon resonances up to 600 ◦C. Furthermore, we study the influence of the composition, morphology and environment on the thermal stability and define key parameters for the design of thermally stable multifunctional NPs. |
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Place of Publication |
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Language |
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Wos |
000473248300038 |
Publication Date |
2019-06-25 |
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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 |
1936-0851 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
13.942 |
Times cited |
46 |
Open Access |
OpenAccess |
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| |
Notes |
W. A. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in Horizon 2020. H. V. acknowledges financial support by the Research Foundation Flanders (FWO grant 1S32617N). E. B. acknowledges a post-doctoral grant from the Research Foundation Flanders (FWO, Belgium). J. D. S. and S.E.S acknowledge funding from the US National Science Foundation (award number: CHE-1602476). The authors acknowledge funding from the European Commission Grant (EUSMI E180600101 to S. B. and S. E. S.) and European Research Council (ERC Starting Grant #335078-COLOURATOMS). Realnano 815128; sygma |
Approved |
Most recent IF: 13.942 |
|
| |
Call Number |
EMAT @ emat @c:irua:161356 |
Serial |
5285 |
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| Permanent link to this record |
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| |
|
Author |
Blommaerts, N.; Vanrompay, H.; Nuti, S.; Lenaerts, S.; Bals, S.; Verbruggen, S.W. |
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| |
Title |
Unraveling Structural Information of Turkevich Synthesized Plasmonic Gold-Silver Bimetallic Nanoparticles |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Small |
Abbreviated Journal |
Small |
|
| |
Volume |
15 |
Issue |
15 |
Pages |
1902791 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) |
|
| |
Abstract |
For the synthesis of gold-silver bimetallic nanoparticles, the Turkevich method has been the state-of-the-art method for several decades. It has been presumed that this procedure results in a homogeneous alloy, although this has been debatable for many years. In this work, it is shown that neither a full alloy, nor a perfect core-shell particle is formed but rather a core-shell-like particle with altering metal composition along the radial direction. In-depth wet-chemical experiments are performed in combination with advanced transmission electron microscopy, including EDX tomography, and Finite Element Method modeling to support the observations. From the electron tomography results, the core-shell structure could be clearly visualized and the spatial distribution of gold and silver atoms could be quantified. Theoretical simulations are performed to demonstrate that even though UV-Vis spectra show only one plasmon band, this still originates from core-shell type structures. The simulations also indicate that the core-shell morphology does not so much affect the location of the plasmon band, but mainly results in significant band broadening. Wet-chemistry experiments provide the evidence that the synthesis pathway starts with gold enriched alloy cores, and later on in the synthesis mainly silver is incorporated to end up with a silver enriched alloy shell. |
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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 |
000482637100001 |
Publication Date |
2019-08-25 |
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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 |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1613-6810 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
8.643 |
Times cited |
26 |
Open Access |
OpenAccess |
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| |
Notes |
Universiteit Antwerpen; Fonds Wetenschappelijk Onderzoek, 1S32617N G.0369.15N G.0381.16N ; |
Approved |
Most recent IF: 8.643 |
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| |
Call Number |
EMAT @ emat @c:irua:161636 |
Serial |
5290 |
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| Permanent link to this record |
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Author |
Choudhary, K.; Bercx, M.; Jiang, J.; Pachter, R.; Lamoen, D.; Tavazza, F. |
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| |
Title |
Accelerated Discovery of Efficient Solar Cell Materials Using Quantum and Machine-Learning Methods |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
|
| |
Volume |
31 |
Issue |
15 |
Pages |
5900-5908 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Solar energy plays an important role in solving serious environmental
problems and meeting the high energy demand. However, the lack of suitable
materials hinders further progress of this technology. Here, we present the largest
inorganic solar cell material search till date using density functional theory (DFT) and
machine-learning approaches. We calculated the spectroscopic limited maximum
efficiency (SLME) using the Tran−Blaha-modified Becke−Johnson potential for 5097
nonmetallic materials and identified 1997 candidates with an SLME higher than 10%,
including 934 candidates with a suitable convex-hull stability and an effective carrier
mass. Screening for two-dimensional-layered cases, we found 58 potential materials
and performed G0W0 calculations on a subset to estimate the prediction uncertainty. As the above DFT methods are still computationally expensive, we developed a high accuracy machine-learning model to prescreen efficient materials and applied it to over a million materials. Our results provide a general framework and universal strategy for the design of high-efficiency solar
cell materials. The data and tools are publicly distributed at: https://www.ctcms.nist.gov/~knc6/JVASP.html, https://www.
ctcms.nist.gov/jarvisml/, https://jarvis.nist.gov/, and https://github.com/usnistgov/jarvis. |
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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 |
000480826900060 |
Publication Date |
2019-08-13 |
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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 |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0897-4756 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
9.466 |
Times cited |
6 |
Open Access |
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| |
Notes |
; ; |
Approved |
Most recent IF: 9.466 |
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| |
Call Number |
EMAT @ emat @c:irua:161814 |
Serial |
5291 |
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| Permanent link to this record |
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Author |
Callaert, C.; Bercx, M.; Lamoen, D.; Hadermann, J. |
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| |
Title |
Interstitial defects in the van der Waals gap of Bi2Se3 |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online) |
Abbreviated Journal |
Acta Crystallogr B |
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| |
Volume |
75 |
Issue |
4 |
Pages |
717-732 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Bi<sub>2</sub>Se<sub>3</sub>is a thermoelectric material and a topological insulator. It is slightly conducting in its bulk due to the presence of defects and by controlling the defects different physical properties can be fine tuned. However, studies of the defects in this material are often contradicting or inconclusive. Here, the defect structure of Bi<sub>2</sub>Se<sub>3</sub>is studied with a combination of techniques: high-resolution scanning transmission electron microscopy (HR-STEM), high-resolution energy-dispersive X-ray (HR-EDX) spectroscopy, precession electron diffraction tomography (PEDT), X-ray diffraction (XRD) and first-principles calculations using density functional theory (DFT). Based on these results, not only the observed defects are discussed, but also the discrepancies in results or possibilities across the techniques. STEM and EDX revealed interstitial defects with mainly Bi character in an octahedral coordination in the van der Waals gap, independent of the applied sample preparation method (focused ion beam milling or cryo-crushing). The inherent character of these defects is supported by their observation in the structure refinement of the EDT data. Moreover, the occupancy probability of the defects determined by EDT is inversely proportional to their corresponding DFT calculated formation energies. STEM also showed the migration of some atoms across and along the van der Waals gap. The kinetic barriers calculated using DFT suggest that some paths are possible at room temperature, while others are most probably beam induced. |
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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 |
000480512600024 |
Publication Date |
2019-08-01 |
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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 |
2052-5206 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.032 |
Times cited |
|
Open Access |
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Notes |
University of Antwerp, 31445 ; Acknowledgements We thank Artem M. Abakumov for providing the original Bi2Se3 sample and are also very grateful to Christophe Vandevelde for trying repeatedly to get good single crystal X-ray diffraction data out of each of our failed attempts at making an undeformed single crystal. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. |
Approved |
Most recent IF: 2.032 |
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| |
Call Number |
EMAT @ emat @c:irua:161847 |
Serial |
5295 |
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| Permanent link to this record |
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Author |
Nerl, H.C.; Pokle, A.; Jones, L.; Müller‐Caspary, K.; Bos, K.H.W.; Downing, C.; McCarthy, E.K.; Gauquelin, N.; Ramasse, Q.M.; Lobato, I.; Daly, D.; Idrobo, J.C.; Van Aert, S.; Van Tendeloo, G.; Sanvito, S.; Coleman, J.N.; Cucinotta, C.S.; Nicolosi, V. |
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| |
Title |
Self‐Assembly of Atomically Thin Chiral Copper Heterostructures Templated by Black Phosphorus |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Advanced functional materials |
Abbreviated Journal |
Adv Funct Mater |
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| |
Volume |
29 |
Issue |
37 |
Pages |
1903120 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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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 |
000478478400001 |
Publication Date |
2019-07-17 |
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Series Editor |
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Series Title |
|
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 |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
12.124 |
Times cited |
1 |
Open Access |
OpenAccess |
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| |
Notes |
European Research Council, 2DNanoCaps TC2D CoG 3D2DPrint CoG Picometrics grant agreement No. 770887; Engineering and Physical Sciences Research Council, EP/P033555/1 EP/R029431 ; Science Foundation Ireland, HPC1600932 ; |
Approved |
Most recent IF: 12.124 |
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| |
Call Number |
EMAT @ emat @c:irua:161901 |
Serial |
5362 |
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| Permanent link to this record |
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Author |
Cremers, V.; Rampelberg, G.; Baert, K.; Abrahami, S.; Claes, N.; de Oliveira, T.M.; Terryn, H.; Bals, S.; Dendooven, J.; Detavernier, C. |
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| |
Title |
Corrosion protection of Cu by atomic layer deposition |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Journal of vacuum science and technology: A: vacuum surfaces and films |
Abbreviated Journal |
J Vac Sci Technol A |
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| |
Volume |
37 |
Issue |
37 |
Pages |
060902 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Atomic layer deposition (ALD) is a vapor phase technique that is able to deposit uniform, conformal thin films with an excellent thickness control at the atomic scale. 18 nm thick Al2O3 and TiO2 coatings were deposited conformaly and pinhole-free onto micrometer-sized Cu powder, using trimethylaluminum and tetrakis(dimethylamido)titanium(IV), respectively, as a precursor and de-ionized water as a reactant. The capability of the ALD coating to protect the Cu powder against corrosion was investigated. Therefore, the stability of the coatings was studied in solutions with different pH in the range of 0–14, and in situ raman spectroscopy was used to detect the emergence of corrosion products of Cu as an indication that the protective coating starts to fail. Both ALD coatings provide good protection at standard pH values in the range of 5–7. In general, the TiO2 coating shows a better barrier protection against corrosion than the Al2O3 coating. However, for the most extreme pH conditions, pH 0 and pH 14, the TiO2 coating starts also to degrade. |
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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 |
000517925800003 |
Publication Date |
2019-09-19 |
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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 |
0734-2101 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.374 |
Times cited |
7 |
Open Access |
OpenAccess |
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Notes |
The authors acknowledge financial support from the Strategic Initiative Materials in Flanders (SIM, SBO-FUNC project) and the Special Research Fund BOF of Ghent University (No. GOA 01G01513). J.D. acknowledges the Research Foundation Flanders (FWO-Vlaanderen) for a postdoctoral fellowship. |
Approved |
Most recent IF: 1.374 |
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| |
Call Number |
EMAT @ emat @c:irua:162640 |
Serial |
5361 |
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| Permanent link to this record |
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Author |
Idrissi, H.; Ghidelli, M.; Béché, A.; Turner, S.; Gravier, S.; Blandin, J.-J.; Raskin, J.-P.; Schryvers, D.; Pardoen, T. |
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| |
Title |
Atomic-scale viscoplasticity mechanisms revealed in high ductility metallic glass films |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
|
| |
Volume |
9 |
Issue |
1 |
Pages |
13426 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The fundamental plasticity mechanisms in thin freestanding Zr65Ni35 metallic glass films are investigated in order to unravel the origin of an outstanding strength/ductility balance. The deformation process is homogenous until fracture with no evidence of catastrophic shear banding. The creep/relaxation behaviour of the films was characterized by on-chip tensile testing, revealing an activation volume in the range 100–200 Å3. Advanced high-resolution transmission electron microscopy imaging and spectroscopy exhibit a very fine glassy nanostructure with well-defined dense Ni-rich clusters embedded in Zr-rich clusters of lower atomic density and a ~2–3 nm characteristic length scale. Nanobeam electron diffraction analysis reveals that the accumulation of plastic deformation at roomtemperature
correlates with monotonously increasing disruption of the local atomic order. These results provide experimental evidences of the dynamics of shear transformation zones activation in metallic glasses. The impact of the nanoscale structural heterogeneities on the mechanical properties including the rate dependent behaviour is discussed, shedding new light on the governing plasticity mechanisms in metallic glasses with initially heterogeneous atomic arrangement. |
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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 |
000486139700008 |
Publication Date |
2019-09-17 |
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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 |
2045-2322 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.259 |
Times cited |
|
Open Access |
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Notes |
H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). This work was supported by the FNRS under Grant PDR – T.0178.19. FWO project G093417N (‘Compressed sensing enabling low dose imaging in transmission electron microscopy’) and Hercules fund ‘Direct electron detector for soft matter TEM’ from Flemish Government are acknowledged. |
Approved |
Most recent IF: 4.259 |
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Call Number |
EMAT @ emat @c:irua:162786 |
Serial |
5375 |
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| Permanent link to this record |
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Author |
Samaee, V.; Sandfeld, S.; Idrissi, H.; Groten, J.; Pardoen, T.; Schwaiger, R.; Schryvers, D. |
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Title |
Dislocation structures and the role of grain boundaries in cyclically deformed Ni micropillars |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Materials Science And Engineering A-Structural Materials Properties Microstructure And Processing |
Abbreviated Journal |
Mat Sci Eng A-Struct |
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| |
Volume |
769 |
Issue |
|
Pages |
138295 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Transmission electron microscopy and finite element-based dislocation simulations were combined to study the development of dislocation microstructures after cyclic deformation of single crystal and bicrystal Ni micropillars oriented for multi-slip. A direct correlation between large accumulation of plastic strain and the presence of dislocation cell walls in the single crystal micropillars was observed, while the presence of the grain boundary hampered the formation of wall-like structures in agreement with a smaller accumulated plastic strain. Automated crystallographic orientation and nanostrain mapping using transmission electron microscopy revealed the presence of lattice heterogeneities associated to the cell walls including long range elastic strain fields. By combining the nanostrain mapping with an inverse modelling approach, information about dislocation density, line orientation and Burgers vector direction was derived, which is not accessible otherwise in such dense dislocation structures. Simulations showed that the image forces associated with the grain boundary in this specific bicrystal configuration have only a minor influence on dislocation behavior. Thus, the reduced occurrence of “mature” cell walls in the bicrystal can be attributed to the available volume, which is too small to accommodate cell structures. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000500373800018 |
Publication Date |
2019-08-21 |
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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 |
0921-5093 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
6.4 |
Times cited |
1 |
Open Access |
OpenAccess |
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Notes |
Financial support from the Flemish (FWO) and German Research Foundation (DFG) through the European M-ERA.NET project “FaSS” (Fatigue Simulation near Surfaces) under the grant numbers GA.014.13 N,SCHW855/5-1, and SA2292/2-1 is gratefully acknowledged. V.S. acknowledges the FWO research project G012012 N “Understanding nanocrystalline mechanical behaviour from structural investigations”. H.I. is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). S.S. acknowledges financial support from the European Research Council through the ERC Grant Agreement No. 759419 (MuDiLingo – A Multiscale Dislocation Language for Data- Driven Materials Science). |
Approved |
Most recent IF: 6.4; 2020 IF: 3.094 |
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| |
Call Number |
EMAT @ emat @c:irua:163475 |
Serial |
5371 |
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| Permanent link to this record |
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Author |
Ramachandran, R.K.; Filez, M.; Solano, E.; Poelman, H.; Minjauw, M.M.; Van Daele, M.; Feng, J.-Y.; La Porta, A.; Altantzis, T.; Fonda, E.; Coati, A.; Garreau, Y.; Bals, S.; Marin, G.B.; Detavernier, C.; Dendooven, J. |
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Title |
Chemical and Structural Configuration of Pt Doped Metal Oxide Thin Films Prepared by Atomic Layer Deposition |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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| |
Volume |
31 |
Issue |
31 |
Pages |
9673-9683 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
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| |
Abstract |
Pt doped semiconducting metal oxides and Pt metal clusters embedded in an oxide matrix are of interest for applications such as catalysis and gas sensing, energy storage and memory devices. Accurate tuning of the dopant level is crucial for adjusting the properties of these materials. Here, a novel atomic layer deposition (ALD) based method for doping Pt into In2O3 in specific, and metals in metal oxides in general, is demonstrated. This approach combines alternating exposures of Pt and In2O3 ALD processes in a single ‘supercycle’, followed by supercycle repetition leading to multilayered nanocomposites. The atomic level control of ALD and its conformal nature make the method suitable for accurate dopant control even on high surface area supports. Oxidation state, local structural environment and crystalline phase of the embedded Pt dopants were obtained by means of X-ray characterization methods and high angle annular dark-field scanning transmission electron microscopy (HAADF-STEM). In addition, this approach allows characterization of the nucleation stages of metal ALD processes, by stacking those states multiple times in an oxide matrix. Regardless of experimental conditions, a few Pt ALD cycles leads to the formation of oxidized Pt species due to their highly dispersed nature, as proven by X-ray absorption spectroscopy (XAS). Grazing-incidence small-angle X-ray scattering (GISAXS) and highresolution scanning transmission electron microscopy, combined with energy dispersive X-ray spectroscopy (HR-STEM/EDXS) show that Pt is evenly distributed in the In2O3 metal oxide matrix without the formation of clusters. For a larger number of Pt ALD
cycles, typ. > 10, the oxidation state gradually evolves towards fully metallic, and metallic Pt clusters are obtained within the In2O3 metal oxide matrix. This work reveals how tuning of the ALD supercycle approach for Pt doping allows controlled engineering of the Pt compositional and structural configuration within a metal oxide matrix. |
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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 |
000502418000010 |
Publication Date |
2019-11-11 |
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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 |
0897-4756 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
9.466 |
Times cited |
6 |
Open Access |
OpenAccess |
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| |
Notes |
This research was supported by the Flemish Research Foundation (FWO-Vlaanderen), the Flemish Government (Long term structural funding – Methusalem funding and Medium scale research infrastructure funding-Hercules funding), the Special Research Fund BOF of Ghent University (GOA 01G01513) and the CALIPSO Trans National Access Program funded by the European Commission in supplying financing of travel costs. We are grateful to the SIXS and SAMBA-SOLEIL staff for smoothly running the beamline facilities. J.D. and R.K.R. are postdoctoral fellows of the FWO. |
Approved |
Most recent IF: 9.466 |
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| |
Call Number |
EMAT @ emat @c:irua:164056 |
Serial |
5380 |
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| Permanent link to this record |
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Author |
Nord, M.; Verbeeck, J. |
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Title |
Towards Reproducible and Transparent Science of (Big) Electron Microscopy Data Using Version Control |
Type |
P1 Proceeding |
| |
Year |
2019 |
Publication |
Microscopy and microanalysis
T2 – Microscopy & Microanalysis 2019, 4-8 August, 2019, Portland, Oregon |
Abbreviated Journal |
Microsc Microanal |
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| |
Volume |
25 |
Issue |
S2 |
Pages |
232-233 |
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Keywords |
P1 Proceeding; Electron microscopy for materials research (EMAT) |
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Abstract |
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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 |
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Publication Date |
2019-08-05 |
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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 |
1431-9276 |
ISBN |
|
Additional Links |
UA library record |
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| |
Impact Factor |
1.891 |
Times cited |
|
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 1.891 |
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| |
Call Number |
EMAT @ emat @c:irua:164058 |
Serial |
5377 |
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| Permanent link to this record |
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Author |
Nord, M.; Semisalova, A.; Kákay, A.; Hlawacek, G.; MacLaren, I.; Liersch, V.; Volkov, O.M.; Makarov, D.; Paterson, G.W.; Potzger, K.; Lindner, J.; Fassbender, J.; McGrouther, D.; Bali, R. |
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Title |
Strain Anisotropy and Magnetic Domains in Embedded Nanomagnets |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Small |
Abbreviated Journal |
Small |
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Volume |
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Issue |
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Pages |
1904738 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Nanoscale modifications of strain and magnetic anisotropy can open pathways to engineering magnetic domains for device applications. A periodic magnetic domain structure can be stabilized in sub‐200 nm wide linear as well as curved magnets, embedded within a flat non‐ferromagnetic thin film. The nanomagnets are produced within a non‐ferromagnetic B2‐ordered Fe60Al40 thin film, where local irradiation by a focused ion beam causes the formation of disordered and strongly ferromagnetic regions of A2 Fe60Al40. An anisotropic lattice relaxation is observed, such that the in‐plane lattice parameter is larger when measured parallel to the magnet short‐axis as compared to its length. This in‐plane structural anisotropy manifests a magnetic anisotropy contribution, generating an easy‐axis parallel to the short axis. The competing effect of the strain and shape anisotropies stabilizes a periodic domain pattern in linear as well as spiral nanomagnets, providing a versatile and geometrically controllable path to engineering the strain and thereby the magnetic anisotropy at the nanoscale. |
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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 |
000495563400001 |
Publication Date |
2019-11-11 |
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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 |
1613-6810 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.643 |
Times cited |
2 |
Open Access |
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Notes |
Deutsche Forschungsgemeinschaft, BA5656/1‐1 ; Engineering and Physical Sciences Research Council, EP/M009963/1 ; |
Approved |
Most recent IF: 8.643 |
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Call Number |
EMAT @ emat @c:irua:164059 |
Serial |
5376 |
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| Permanent link to this record |
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Author |
Skorikov, A.; Albrecht, W.; Bladt, E.; Xie, X.; van der Hoeven, J.E.S.; van Blaaderen, A.; Van Aert, S.; Bals, S. |
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Title |
Quantitative 3D Characterization of Elemental Diffusion Dynamics in Individual Ag@Au Nanoparticles with Different Shapes |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
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| |
Volume |
13 |
Issue |
13 |
Pages |
13421-13429 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Anisotropic bimetallic nanoparticles are promising candidates for plasmonic and catalytic applications. Their catalytic performance and plasmonic properties are closely linked to the distribution of the two metals, which can change during applications in which the particles are exposed to heat. Due to this fact, correlating the thermal stability of complex heterogeneous nanoparticles to their microstructural properties is of high interest for the practical applications of such materials. Here, we employ quantitative electron tomography in high-angle annular dark-field scanning transmission electron microscopy (HAADFSTEM) mode to measure the 3D elemental diffusion dynamics in individual anisotropic Au−Ag nanoparticles upon heating in situ. This approach allows us to study the elemental redistribution in complex, asymmetric nanoparticles on a single particle level, which has been inaccessible to other techniques so far. In this work, we apply the proposed method to compare the alloying dynamics of Au−Ag nanoparticles with different shapes and compositions and find that the shape of the nanoparticle does not exhibit a significant effect on the alloying speed whereas the composition does. Finally, comparing the experimental results to diffusion simulations allows us to estimate the diffusion coefficients of the metals for individual nanoparticles. |
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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 |
000500650000115 |
Publication Date |
2019-10-25 |
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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 |
1936-0851 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
13.942 |
Times cited |
29 |
Open Access |
OpenAccess |
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Notes |
This project has received funding from the European Commission (grant 731019, EUSMI) and European Research Council (ERC Consolidator Grants 815128, REALNANO; 770887, PICOMETRICS; 648991, 3MC; and ERC Advanced Grant 291667, HierarSACol). This project has also received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement 823717, ESTEEM3. W.A. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in Horizon 2020 program (grant 797153, SOPMEN). E.B. acknowledges a postdoctoral grant 12T2719N from the Research Foundation Flanders (FWO, Belgium). X.X. acknowledges financial support from the EU H2020-MSCAITN-2015 project 676045, MULTIMAT. The authors also acknowledge financial support by the Research Foundation Flanders (FWO grants G038116N, G026718N, and G036915N).; sygma; esteem3JRA; esteem3reported |
Approved |
Most recent IF: 13.942 |
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Call Number |
EMAT @ emat @c:irua:164061 |
Serial |
5379 |
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| Permanent link to this record |
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Author |
Jin, L.; Batuk, M.; Kirschner, F.K.K.; Lang, F.; Blundell, S.J.; Hadermann, J.; Hayward, M.A. |
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Title |
Exsolution of SrO during the Topochemical Conversion of LaSr3CoRuO8to the Oxyhydride LaSr3CoRuO4H4 |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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Volume |
58 |
Issue |
21 |
Pages |
14863-14870 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Reaction of the n = 1 Ruddlesden-Popper oxide LaSr3CoRuO8 with CaH2 yields the oxyhydride phase LaSr3CoRuO4H4 via topochemical anion-exchange. Close inspection of X-ray and neutron powder diffraction data in combination with HAADF-STEM images reveals that nanoparticles of SrO are exsolved from the system during the reaction, with the change in cation stoichiometry accommodated by the inclusion of n > 1 (Co/Ru)nOn+1H2n ‘perovskite’ layers into the Ruddlesden-Popper stacking sequence. This novel pseudo-topochemical process offers a new route for the formation of n > 1 Ruddlesden-Popper structured materials. Magnetization data are consistent with a LaSr3Co1+Ru2+O4H4 (Co1+, d8, S = 1; Ru2+, d6, S = 0) oxidation/spin state combination. Neutron diffraction and μ+SR data show no evidence for long-range magnetic order down to 2 K, suggesting the diamagnetic Ru2+ centers impede the Co-Co magnetic exchange interactions. |
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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 |
000494894400062 |
Publication Date |
2019-11-04 |
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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 |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.857 |
Times cited |
1 |
Open Access |
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Notes |
We thank P. Manuel for assistance collecting the neutron powder diffraction data. We thank The Leverhulme Trust grant award RPG-2014-366 “Topochemical reduction of 4d and 5d transition metal oxides” for supporting this work. Experiments at the Diamond Light Source were performed as part of the Block Allocation Group award “Oxford Solid State Chemistry BAG to probe composition-structure-property relationships in solids” (EE13284). Investigation by TEM was supported through the FWO grant G035619N. |
Approved |
Most recent IF: 4.857 |
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Call Number |
EMAT @ emat @c:irua:164625 |
Serial |
5434 |
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| Permanent link to this record |
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Author |
Gvozdetskyi, V.; Bhaskar, G.; Batuk, M.; Zhao, X.; Wang, R.; Carnahan, S.L.; Hanrahan, M.P.; Ribeiro, R.A.; Canfield, P.C.; Rossini, A.J.; Wang, C.-Z.; Ho, K.-M.; Hadermann, J.; Zaikina, J.V. |
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Title |
Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
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Volume |
58 |
Issue |
44 |
Pages |
15855-15862 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Two novel lithium nickel boride polymorphs RT-LiNiB and HT-LiNiB with layered crystal structures are reported. This family of compounds was theoretically predicted by using the adaptive genetic algorithm (AGA) and subsequently synthesized via a hydride route with LiH precursor as a lithium source. Being unique among the known ternary transition metal borides, the LiNiB structures feature Li layers alternating with nearly planar [NiB] layers, composed of Ni hexagonal rings centered by B-B pairs. A comprehensive study using a combination of single crystal/synchrotron powder X-ray diffraction data, solid-state 7Li and 11B NMR, scanning transmission electron microscopy, quantum chemistry calculations, and magnetism has shed light on the intrinsic features of these polymorphic compounds. The unique layered structures of LiNiB compounds make them ultimate precursors to further study their exfoliation, paving a way toward two-dimensional transition metal borides, MBenes. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000491219600038 |
Publication Date |
2019-10-28 |
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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 |
1433-7851 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.994 |
Times cited |
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Open Access |
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Notes |
the Gordon and Betty Moore Foundation’s EPiQS Initiative through Grant GBMF4411. The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under contract #DE-AC02-07CH11358. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. |
Approved |
Most recent IF: 11.994 |
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Call Number |
EMAT @ emat @c:irua:164752 |
Serial |
5433 |
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| Permanent link to this record |
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Author |
Boyat, X.; Ballat-Durand, D.; Marteau, J.; Bouvier, S.; Favergeon, J.; Orekhov, A.; Schryvers, D. |
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Title |
Interfacial characteristics and cohesion mechanisms of linear friction welded dissimilar titanium alloys: Ti–5Al–2Sn–2Zr–4Mo–4Cr (Ti17) and Ti–6Al–2Sn–4Zr–2Mo (Ti6242) |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Materials characterization |
Abbreviated Journal |
Mater Charact |
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Volume |
158 |
Issue |
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Pages |
109942 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
A detailed microstructural examination endeavoring to understand the interfacial phenomena yielding to cohesion
in solid-state assembling processes was performed. This study focuses on the transition zone of a dissimilar
titanium alloy joint obtained by Linear Friction Welding (LFW) the β-metastable Ti17 to the near-α
Ti6242. The transition zone delimitating both alloys is characterized by a sharp microstructure change from
acicular HCP (Hexagonal Close-Packed) α′ martensitic laths in the Ti6242 to equiaxed BCC β (Body-Centered
Cubic) subgrains in the Ti17; these α′ plates were shown to precipitate within prior-β subgrains remarkably more
rotated than the ones formed in the Ti17. Both α′ and β microstructures were found to be intermingled within
transitional subgrains demarcating a limited gradient from one chemical composition to the other. These peculiar
interfacial grains revealed that the cohesive mechanisms between the rubbing surfaces occurred in the
single-phase β domain under severe strain and high-temperature conditions. During the hot deformation process,
the mutual migration of the crystalline interfaces from one material to another assisted by a continuous dynamic
recrystallization process was identified as the main adhesive mechanism at the junction zone. The latter led to
successful cohesion between the rubbing surfaces. Once the reciprocating motion stopped, fast cooling caused
both materials to experience either a βlean→α′ or βlean→βmetastable transformation in the interfacial zone depending
on their local chemical composition. The limited process time and the subsequent hindered chemical
homogenization at the transition zone led to retaining the so-called intermingled α’/βm subgrains constituting
the border between both Ti-alloys. |
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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 |
000503314000018 |
Publication Date |
2019-10-16 |
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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 |
1044-5803 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.714 |
Times cited |
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Open Access |
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Notes |
The authors gratefully acknowledge the financial support of the French National Research Agency (ANR) through the OPTIMUM ANR- 14-CE27-0017 project. The authors would also like to thank the Hautsde- France Region and the European Regional Development Fund (ERDF) 2014/2020 for the co-funding of this work. The authors would also like to thank ACB for providing LFW samples as well as Airbus for their technical support. |
Approved |
Most recent IF: 2.714 |
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Call Number |
EMAT @ emat @c:irua:165084 |
Serial |
5441 |
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| Permanent link to this record |
