| Records |
| Author |
Bladt, E. |
| Title |
Two- and three-dimensional transmission electron microscopy of colloidal nanoparticles : from struture to composition |
Type |
Doctoral thesis |
| Year |
2017 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
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| Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Open Access |
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Approved  |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:146083 |
Serial |
4756 |
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| Author |
De Backer, A.; van den Bos, K.H.W.; Van den Broek, W.; Sijbers, J.; Van Aert, S. |
| Title |
StatSTEM: An efficient program for accurate and precise model-based quantification of atomic resolution electron microscopy images |
Type |
P1 Proceeding |
| Year |
2017 |
Publication |
Journal of physics : conference series
T2 – Electron Microscopy and Analysis Group Conference 2017 (EMAG2017), 3-6 July 2017, Manchester, UK |
Abbreviated Journal |
J. Phys.: Conf. Ser. |
| Volume |
902 |
Issue |
|
Pages |
012013 |
| Keywords |
P1 Proceeding; Electron microscopy for materials research (EMAT); Vision lab |
| Abstract |
An efficient model-based estimation algorithm is introduced in order to quantify the atomic column positions and intensities from atomic resolution (scanning) transmission electron microscopy ((S)TEM) images. This algorithm uses the least squares estimator on image segments containing individual columns fully accounting for the overlap between neighbouring columns, enabling the analysis of a large field of view. For this algorithm, the accuracy and precision with which measurements for the atomic column positions and scattering cross-sections from annular dark field (ADF) STEM images can be estimated, is investigated. The highest attainable precision is reached even for low dose images. Furthermore, advantages of the model- based approach taking into account overlap between neighbouring columns are highlighted. To provide end-users this well-established quantification method, a user friendly program, StatSTEM, is developed which is freely available under a GNU public license. |
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Wos |
000416370700013 |
Publication Date |
2017-10-16 |
| 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 |
1742-6588 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
1 |
Open Access |
OpenAccess |
| Notes |
The authors acknowledge nancial support from the Research Foundation Flanders (FWO, Belgium) through project funding (G.0374.13N, G.0368.15N, G.0369.15N, WO.010.16N) and a PhD research grant to K H W van den Bos, and a postdoctoral research grant to A De Backer. 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). A Rosenauer is acknowledged for providing the STEMsim program. |
Approved |
Most recent IF: NA |
| Call Number |
EMAT @ emat @c:irua:147188 |
Serial |
4764 |
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| |
| Author |
Mirzakhani, M. |
| Title |
Electronic properties and energy levels of graphene quantum dots |
Type |
Doctoral thesis |
| Year |
2017 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
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| Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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Place of Publication |
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UA library record |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:147179 |
Serial |
4781 |
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| |
| Author |
Sentosun, K.; Lobato, I.; Bladt, E.; Zhang, Y.; Palenstijn, W.J.; Batenburg, K.J.; Van Dyck, D.; Bals, S. |
| Title |
Artifact Reduction Based on Sinogram Interpolation for the 3D Reconstruction of Nanoparticles Using Electron Tomography |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Particle and particle systems characterization |
Abbreviated Journal |
Part. Part. Syst. Charact. |
| Volume |
34 |
Issue |
34 |
Pages |
1700287 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Vision lab |
| Abstract |
Electron tomography is a well-known technique providing a 3D characterization of the morphology and chemical composition of nanoparticles. However, several reasons hamper the acquisition of tilt series with a large number of projection images, which deteriorate the quality of the 3D reconstruction. Here, an inpainting method that is based on sinogram interpolation is proposed, which enables one to reduce artifacts in the reconstruction related to a limited tilt series of projection images. The advantages of the approach will be demonstrated for the 3D characterization of nanoparticles using phantoms and several case studies. |
| Address |
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| Corporate Author |
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Thesis |
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Place of Publication |
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Wos |
000418416100005 |
Publication Date |
2017-10-27 |
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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 |
1521-4117 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
2 |
Open Access |
OpenAccess |
| Notes |
K.S. and S.B. acknowledge support from the Fund for Scientific ResearchFlanders (FWO) (G019014N and G021814N). S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078-COLOURATOM). Y.Z. acknowledges financial support from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie Grant Agreement No. 665501 through a FWO [PEGASUS]2 Marie Skłodowska-Curie fellowship (12U4917N). The authors would like to thank Prof. Luis Liz-Marzán for provision of the samples. (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); saraecas; ECAS_Sara; |
Approved |
Most recent IF: NA |
| Call Number |
EMAT @ emat @c:irua:147857UA @ admin @ c:irua:147857 |
Serial |
4798 |
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| Author |
Schattschneider, P.; Schachinger, T.; Verbeeck, J. |
| Title |
Ein Whirlpool aus Elektronen: Transmissions-Elektronenmikroskopie mit Elektronenwirbeln |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Physik in unserer Zeit |
Abbreviated Journal |
Phys. Unserer Zeit |
| Volume |
49 |
Issue |
1 |
Pages |
22-28 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Elektronen bewegen sich im feldfreien Raum immer gleichförmig geradlinig, so steht es in den Lehrbüchern. Falsch, sagen wir. Elektronen lassen sich zu Tornados formen, die theoretisch Nanopartikel zerreißen können. In der Elektronenmikroskopie eingesetzt, versprechen sie neue Erkenntnisse in der Festkörperphysik. |
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Wos |
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Publication Date |
2018-01-02 |
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Edition |
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| ISSN |
0031-9252 |
ISBN |
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UA library record |
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Times cited |
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Open Access |
Not_Open_Access |
| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @c:irua:148159 |
Serial |
4806 |
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| Author |
Reijniers, J.; Partoens, B.; Peremans, H. |
| Title |
DIY measurement of your personal HRTF at home : low-cost, fast and validated |
Type |
P3 Proceeding |
| Year |
2017 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
1-5 |
| Keywords |
P3 Proceeding; Engineering sciences. Technology; Engineering Management (ENM); Condensed Matter Theory (CMT) |
| Abstract |
<script type='text/javascript'>document.write(unpmarked('The breakthrough of 3D audio has been hampered by the lack of personalized head-related transfer functions (HRTF) required to create realistic 3D audio environments using headphones. In this paper we present a new method for the user to personalize his/her HRTF, similar to the measurement in an anechoic room, yet it is low-cost and can be carried out at home. We compare the resulting HRTFs with those measured in an anechoic room. Subjecting the participants to a virtual localization experiment, we show that they perform significantly better when using their personalized HRTF, compared to a generic HRTF. We believe this method has the potential of opening the way for large scale commercial use of 3D audio through headphones.')); |
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Audio Engineering Society |
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Additional Links |
UA library record |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:148068 |
Serial |
4871 |
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| Author |
Aierken, Y. |
| Title |
First-principles studies of novel two-dimensional materials and their physical properties |
Type |
Doctoral thesis |
| Year |
2017 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
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| Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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Place of Publication |
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Additional Links |
UA library record; |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:147503 |
Serial |
4874 |
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| Author |
van den Bos, K.H.W. |
| Title |
Quantitative atomic resolution transmission electron microscopy for heterogeneous nanomaterials |
Type |
Doctoral thesis |
| Year |
2017 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
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| Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
| Abstract |
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Place of Publication |
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Additional Links |
UA library record |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:147953 |
Serial |
4892 |
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| Author |
van der Torren, A.J.H.; Liao, Z.; Xu, C.; Gauquelin, N.; Yin, C.; Aarts, J.; van der Molen, S.J. |
| Title |
Formation of a conducting LaAlO3/SrTiO3 interface studied by low-energy electron reflection during growth |
Type |
A1 Journal Article |
| Year |
2017 |
Publication |
Physical Review Materials |
Abbreviated Journal |
Phys. Rev. Materials |
| Volume |
1 |
Issue |
7 |
Pages |
075001 |
| Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
| Abstract |
The two-dimensional electron gas occurring between the band insulators SrTiO 3 and LaAlO 3 continues to attract considerable interest, due to the possibility of dynamic control over the carrier density, and the ensuing phenomena such as magnetism and superconductivity. The formation of this conducting interface is sensitive to the growth conditions, but despite numerous investigations, there are still questions about the details of the physics involved. In particular, not much is known about the electronic structure of the growing LaAlO 3 layer at the growth temperature (around 800 ◦ C) in oxygen (pressure around 5 × 10 −5 mbar), since analysis techniques at these conditions are not readily available. We developed a pulsed laser deposition system inside a low-energy electron microscope in order to study this issue. The setup allows for layer-by-layer growth control and in-situ measurements of the angle-dependent electron reflection intensity, which can be used as a fingerprint of the electronic structure of the surface layers during growth. By using different substrate terminations and growth conditions we observe two families of reflectivity maps, which we can connect either to samples with an AlO 2 -rich surface and a conducting interface; or to samples with a LaO-rich surface and an insulating interface. Our observations emphasize that substrate termination and stoichiometry determine the electronic structure of the growing layer, and thereby the conductance of the interface. |
| Address |
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Thesis |
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Place of Publication |
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Editor |
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Wos |
000418770200003 |
Publication Date |
2017-12-06 |
| 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 |
2475-9953 |
ISBN |
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Additional Links |
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| Impact Factor |
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Times cited |
2 |
Open Access |
Not_Open_Access |
| Notes |
Nederlandse Organisatie voor Wetenschappelijk Onderzoek; Fonds Wetenschappelijk Onderzoek, G.0044.13N ; European Cooperation in Science and Technology, MP 1308 ; We want to acknowledge Ruud Tromp, Daniel Gee- len, Johannes Jobst, Regina Dittmann, Gert Jan Koster, Guus Rijnders and Jo Verbeek for discussions and ad- vice and Ruud van Egmond and Marcel Hesselberth for technical assistance. This work was supported by the Netherlands Organization for Scientific Research (NWO) by means of an ”NWO Groot” grant and by the Leiden- Delft Consortium NanoFront. The work is part of the re- search programmes NWOnano and DESCO, which are fi- nanced by NWO. N.G. acknowledges funding through the GOA project “Solarpaint” of the University of Antwerp and from the FWO project G.0044.13N (Charge order- ing). The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. We would also like to acknowledge networking support by the COST Action MP 1308 (COST TO-BE). |
Approved |
Most recent IF: NA |
| Call Number |
EMAT @ emat @ |
Serial |
4903 |
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| Author |
Bogaerts, A.; Neyts, E.C. |
| Title |
Plasma Technology: An Emerging Technology for Energy Storage |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
ACS energy letters |
Abbreviated Journal |
Acs Energy Lett |
| Volume |
3 |
Issue |
4 |
Pages |
1013-1027 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Plasma technology is gaining increasing interest for gas conversion applications, such as CO2 conversion into value-added chemicals or renewable fuels, and N2 fixation from the air, to be used for the production of small building blocks for, e.g., mineral fertilizers. Plasma is generated by electric power and can easily be switched on/off, making it, in principle, suitable for using intermittent renewable electricity. In this Perspective article, we explain why plasma might be promising for this application. We briefly present the most common types of plasma reactors with their characteristic features, illustrating why some plasma types exhibit better energy efficiency than others. We also highlight current research in the fields of CO2 conversion (including the combined conversion of CO2 with CH4, H2O, or H2) as well as N2 fixation (for NH3 or NOx synthesis). Finally, we discuss the major limitations and steps to be taken for further improvement. |
| Address |
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Thesis |
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Place of Publication |
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Wos |
000430369600035 |
Publication Date |
2018-04-13 |
| 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 |
2380-8195 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
56 |
Open Access |
OpenAccess |
| Notes |
Universiteit Antwerpen, TOP research project 32249 ; Fonds Wetenschappelijk Onderzoek, G.0217.14N G.0254.14N G.0383.16N ; |
Approved |
Most recent IF: NA |
| Call Number |
PLASMANT @ plasmant @c:irua:150358 |
Serial |
4919 |
| Permanent link to this record |
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| Author |
Sathiya, M.; Jacquet, Q; Doublet, M.L; Karakulina, O.M.; Hadermann, J.; Tarascon, J.-M. |
| Title |
A Chemical Approach to Raise Cell Voltage and Suppress Phase Transition in O3 Sodium Layered Oxide Electrodes |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Advanced energy materials |
Abbreviated Journal |
Adv. Energy Mater. |
| Volume |
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Issue |
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Pages |
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| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Sodium ion batteries (NIBs) are one of the versatile technologies for lowcost rechargeable batteries. O3-type layered sodium transition metal oxides (NaMO2, M = transition metal ions) are one of the most promising positive electrode materials considering their capacity. However, the use of O3 phases is limited due to their low redox voltage and associated multiple phase transitions which are detrimental for long cycling. Herein, a simple strategy is proposed to successfully combat these issues. It consists of the introduction of a larger, nontransition metal ion Sn4+ in NaMO2 to prepare a series of NaNi0.5Mn0.5−y SnyO2 (y = 0–0.5) compositions with attractive electrochemical performances, namely for y = 0.5, which shows a single-phase transition from O3 ⇔ P3 at the very end of the oxidation process. Na-ion NaNi0.5Sn0.5O2/C coin cells are shown to deliver an average cell voltage of 3.1 V with an excellent capacity retention as compared to an average stepwise voltage of ≈2.8 V and limited capacity retention for the pure NaNi0.5Mn0.5O2 phase. This study potentially shows the way to manipulate the O3 NaMO2 for facilitating their practical use in NIBs. |
| 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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Wos |
000430163100013 |
Publication Date |
2018-01-11 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
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ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
21.875 |
Times cited |
28 |
Open Access |
OpenAccess |
| Notes |
M.S. and Q.J. contributed equally to this work. The authors thank Dr. Daniel Alves Dalla Corte and Sujoy Saha for electronic conductivity measurements and Prof. Dominique Larcher for fruitful discussions. Q.J. thanks the ANR “Deli-Redox” for Ph.D. funding. J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014)/ERC Grant-Project 670116-ARPEMA. TGA analysis by Matthieu Courty, LRCS, Amiens, is greatly acknowledged. J.H. and O.M.K. acknowledge funding from FWO Vlaanderen project G040116N. |
Approved |
Most recent IF: NA |
| Call Number |
EMAT @ emat @c:irua:149515 |
Serial |
4907 |
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| Author |
Şentosun, K. |
| Title |
2D and 3D characterization of plasmonic and porous nanoparticles using transmission electron microscopy |
Type |
Doctoral thesis |
| Year |
2018 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
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| Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
| Abstract |
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| Address |
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Thesis |
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Place of Publication |
Antwerp |
Editor |
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Wos |
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Publication Date |
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Series Title |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:149802 |
Serial |
4926 |
| Permanent link to this record |
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| Author |
Jelić, Ž. |
| Title |
Emergent vortex phenomena in spatially and temporally modulated superconducting condensates |
Type |
Doctoral thesis |
| Year |
2018 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
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| Keywords |
Doctoral thesis; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Place of Publication |
Liège |
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Edition |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:149394 |
Serial |
4932 |
| Permanent link to this record |
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| Author |
Berthelot, A. |
| Title |
Modeling of microwave plasmas for carbon dioxide conversion |
Type |
Doctoral thesis |
| Year |
2018 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
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| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
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Thesis |
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| Publisher |
University of Antwerp |
Place of Publication |
Antwerp |
Editor |
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Wos |
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Series Title |
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Abbreviated Series Title |
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Edition |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:150338 |
Serial |
4944 |
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| Author |
De Clercq, M.; Moors, K.; Sankaran, K.; Pourtois, G.; Dutta, S.; Adelmann, C.; Magnus, W.; Sorée, B. |
| Title |
Resistivity scaling model for metals with conduction band anisotropy |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Physical review materials |
Abbreviated Journal |
|
| Volume |
2 |
Issue |
3 |
Pages |
033801 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
It is generally understood that the resistivity of metal thin films scales with film thickness mainly due to grain boundary and boundary surface scattering. Recently, several experiments and ab initio simulations have demonstrated the impact of crystal orientation on resistivity scaling. The crystal orientation cannot be captured by the commonly used resistivity scaling models and a qualitative understanding of its impact is currently lacking. In this work, we derive a resistivity scaling model that captures grain boundary and boundary surface scattering as well as the anisotropy of the band structure. The model is applied to Cu and Ru thin films, whose conduction bands are (quasi-) isotropic and anisotropic, respectively. After calibrating the anisotropy with ab initio simulations, the resistivity scaling models are compared to experimental resistivity data and a renormalization of the fitted grain boundary reflection coefficient can be identified for textured Ru. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Physical Society |
Place of Publication |
College Park, Md |
Editor |
|
| Language |
|
Wos |
000426787600001 |
Publication Date |
2018-03-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
; The authors acknowledge the support by the Fonds National de la Recherche Luxembourg (ATTRACT Grant No. 7556175). ; |
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:149866UA @ admin @ c:irua:149866 |
Serial |
4947 |
| Permanent link to this record |
| |
|
| |
| Author |
Sun, S. |
| Title |
Study of carbon dioxide dissociation mechanisms in a gliding arc discharge |
Type |
Doctoral thesis |
| Year |
2018 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Beihang University, School of Astronautics |
Place of Publication |
Beijing |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
|
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record; |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:149824 |
Serial |
4950 |
| Permanent link to this record |
| |
|
| |
| Author |
Bekaert, J. |
| Title |
Ab initio description of multicomponent superconductivity in bulk to atomically thin materials |
Type |
Doctoral thesis |
| Year |
2018 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Antwerpen |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
|
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:151304 |
Serial |
4961 |
| Permanent link to this record |
| |
|
| |
| Author |
Perez, A.J.; Jacquet, Q.; Batuk, D.; Iadecola, A.; Saubanere, M.; Rousse, G.; Larcher, D.; Vezin, H.; Doublet, M.-L.; Tarascon, J.-M. |
| Title |
Approaching the limits of cationic and anionic electrochemical activity with the Li-rich layered rocksalt Li3IrO4 |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Nature energy |
Abbreviated Journal |
Nat Energy |
| Volume |
2 |
Issue |
12 |
Pages |
954-962 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
The Li-rich rocksalt oxides Li2MO3 (M = 3d/4d/5d transition metal) are promising positive-electrode materials for Li-ion batteries, displaying capacities exceeding 300 mAh g(-1) thanks to the participation of the oxygen non-bonding O(2p) orbitals in the redox process. Understanding the oxygen redox limitations and the role of the O/M ratio is therefore crucial for the rational design of materials with improved electrochemical performances. Here we push oxygen redox to its limits with the discovery of a Li3IrO4 compound (O/M = 4) that can reversibly take up and release 3.5 electrons per Ir and possesses the highest capacity ever reported for any positive insertion electrode. By quantitatively monitoring the oxidation process, we demonstrate the material's instability against O-2 release on removal of all Li. Our results show that the O/M parameter delineates the boundary between the material's maximum capacity and its stability, hence providing valuable insights for further development of high-capacity materials. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000430218300001 |
Publication Date |
2017-12-06 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2058-7546 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
55 |
Open Access |
Not_Open_Access |
| Notes |
; We thank P. Pearce for providing the beta-Li<INF>2</INF>IrO<INF>3</INF> and L. Lemarquis for helping in the DEMS experiment. We are particularly grateful to S. Belin, V. Briois and L. Stievano for helpful discussions on XAS analysis and synchrotron SOLEIL (France) for providing beamtime at the ROCK beamline (financed by the French National Research Agency (ANR) as part of the 'Investissements d'Avenir' programme, reference: ANR-10-EQPX-45). A.J.P and A. I. acknowledge the GdR C(RS) 2 for the workshop organized on a chemometric approach for XAS data analysis. V. Nassif is acknowledged for her help during neutron diffraction experiments performed at Institut Laue Langevin on D1B. Use of the 11-BM mail service of the APS at Argonne National Laboratory was supported by the US Department of Energy under contract No. DE-AC02-06CH11357 and is gratefully acknowledged. This work has been performed with the support of the European Research Council (ERC) (FP/2014)/ERC Grant- Project 670116 ARPEMA. ; |
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:150926 |
Serial |
4962 |
| Permanent link to this record |
| |
|
| |
| Author |
Andelkovic, M.; Covaci, L.; Peeters, F.M. |
| Title |
DC conductivity of twisted bilayer graphene: Angle-dependent transport properties and effects of disorder |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Physical review materials |
Abbreviated Journal |
|
| Volume |
2 |
Issue |
3 |
Pages |
034004 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The in-plane dc conductivity of twisted bilayer graphene is calculated using an expansion of the real-space Kubo-Bastin conductivity in terms of Chebyshev polynomials. We investigate within a tight-binding approach the transport properties as a function of rotation angle, applied perpendicular electric field, and vacancy disorder. We find that for high-angle twists, the two layers are effectively decoupled, and the minimum conductivity at the Dirac point corresponds to double the value observed in monolayer graphene. This remains valid even in the presence of vacancies, hinting that chiral symmetry is still preserved. On the contrary, for low twist angles, the conductivity at the Dirac point depends on the twist angle and is not protected in the presence of disorder. Furthermore, for low angles and in the presence of an applied electric field, we find that the chiral boundary states emerging between AB and BA regions contribute to the dc conductivity, despite the appearance of localized states in the AA regions. The results agree qualitatively with recent transport experiments in low-angle twisted bilayer graphene. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Physical Society |
Place of Publication |
College Park, Md |
Editor |
|
| Language |
|
Wos |
000427822700002 |
Publication Date |
2018-03-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
27 |
Open Access |
|
| Notes |
; We acknowledge financial support from the graphene FLAG-ERA project TRANS2DTMD. ; |
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:150838UA @ admin @ c:irua:150838 |
Serial |
4964 |
| Permanent link to this record |
| |
|
| |
| Author |
Loo, R.; Arimura, H.; Cott, D.; Witters, L.; Pourtois, G.; Schulze, A.; Douhard, B.; Vanherle, W.; Eneman, G.; Richard, O.; Favia, P.; Mitard, J.; Mocuta, D.; Langer, R.; Collaert, N. |
| Title |
Epitaxial CVD growth of ultra-thin Si passivation layers on strained Ge fin structures |
Type |
P1 Proceeding |
| Year |
2017 |
Publication |
Semiconductor Process Integration 10 |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
241-252 |
| Keywords |
P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Epitaxially grown ultra-thin Si layers are often used to passivate Ge surfaces in the high-k gate module of (strained) Ge FinFET devices. We use Si4H10 as Si precursor as it enables epitaxial Si growth at temperatures down to 330 degrees C. C-V characteristics of blanket capacitors made on Ge virtual substrates point to the presence of an optimal Si thickness. In case of compressively strained Ge fin structures, the Si growth results in non-uniform and high strain levels in the strained Ge fin. These strain levels have been calculated for different shapes of the Ge fin and in function of the grown Si thickness. The high strain is the driving force for potential (unwanted) Ge surface reflow during the Si deposition. The Ge surface reflow is strongly affected by the strength of the H-passivation during Si-capping and can be avoided by carefully selected process conditions. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Electrochemical soc inc |
Place of Publication |
Pennington |
Editor |
|
| Language |
|
Wos |
000426269800024 |
Publication Date |
2017-10-17 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
80 |
Series Issue |
4 |
Edition |
|
| ISSN |
978-1-60768-821-1; 978-1-62332-473-5 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
|
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:149965 |
Serial |
4966 |
| Permanent link to this record |
| |
|
| |
| Author |
Roxana Vlad, V.; Bartolome, E.; Vilardell, M.; Calleja, A.; Meledin, A.; Obradors, X.; Puig, T.; Ricart, S.; Van Tendeloo, G.; Usoskin, A.; Lee, S.; Petrykin, V.; Molodyk, A. |
| Title |
Inkjet printing multideposited YBCO on CGO/LMO/MgO/Y2O3/Al2O3/Hastelloy tape for 2G-coated conductors |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
IEEE transactions on applied superconductivity |
Abbreviated Journal |
|
| Volume |
28 |
Issue |
4 |
Pages |
6601805 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
We present the preparation of a new architecture of coated conductor by Inkjet printing of low fluorine YBa2Cu3O7-x (YBCO) on top of SuperOx tape: CGO/LMO/IBAD-MgO/Y2O3/Al-2 O-3/Hastelloy. A five-layered multideposited, 475-nm-thick YBCO film was structurally and magnetically characterized. A good texture was achieved using this combination of buffer layers, requiring only a 30-nm-thin ion-beam-assisted deposition (IBAD)-MgO layer. The LF-YBCO CC reaches self-field critical current density values of J(c)(GB) similar to NJ 15.9 MA/cm(2) (5 K), similar to 1.23 MA/cm(2) (77 K) corresponding to an I-c (77 K) = 58.4 A/cm-width. Inkjet printing offers a flexible and cost effective method for YBCO deposition, allowing patterning of structures. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000429010900001 |
Publication Date |
2018-02-22 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1051-8223 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.288 |
Times cited |
2 |
Open Access |
Not_Open_Access |
| Notes |
; This work was performed within the framework of the EUROTAPES Project FP7-NMP.2011.2.2-1 under Grant280432, funded by the EU. ICMAB research was financed by the Ministry of Economy and Competitiveness, and FEDER funds under Projects MAT2011-28874-C02-01, MAT2014-51778-C2-1-R, ENE2014-56109-C3-3-R, and Consolider Nanoselect CSD2007-00041, and by Generalitat de Catalunya (2009 SGR 770, 2015 SGR 753, and Xarmae). ICMAB acknowledges support from Severo Ochoa Program (MINECO) under Grant SEV-2015-0496. ; |
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:150711 |
Serial |
4971 |
| Permanent link to this record |
| |
|
| |
| Author |
Pourtois, G.; Dabral, A.; Sankaran, K.; Magnus, W.; Yu, H.; de de Meux, A.J.; Lu, A.K.A.; Clima, S.; Stokbro, K.; Schaekers, M.; Houssa, M.; Collaert, N.; Horiguchi, N. |
| Title |
Probing the intrinsic limitations of the contact resistance of metal/semiconductor interfaces through atomistic simulations |
Type |
P1 Proceeding |
| Year |
2017 |
Publication |
Semiconductors, Dielectrics, And Metals For Nanoelectronics 15: In Memory Of Samares Kar |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
303-311 |
| Keywords |
P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In this contribution, we report a fundamental study of the factors that set the contact resistivity between metals and highly doped semiconductors. We investigate the case of n-type doped Si contacted with amorphous TiSi combining first-principles calculations with Non-Equilibrium Green functions transport simulations. The intrinsic contact resistivity is found to saturate at similar to 2x10(-10) Omega.cm(2) with the doping concentration and sets an intrinsic limit to the ultimate contact resistance achievable for n-doped Si vertical bar amorphous-TiSi. This limit arises from the intrinsic properties of the semiconductor and of the metal such as their electron effective masses and Fermi energies. We illustrate that, in this regime, contacting metals with a heavy electron effective mass helps reducing the interface intrinsic contact resistivity. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Electrochemical soc inc |
Place of Publication |
Pennington |
Editor |
|
| Language |
|
Wos |
000426271800028 |
Publication Date |
2017-10-17 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
80 |
Series Issue |
1 |
Edition |
|
| ISSN |
978-1-62332-470-4; 978-1-60768-818-1 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
1 |
Open Access |
Not_Open_Access |
| Notes |
; ; |
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:149966 |
Serial |
4976 |
| Permanent link to this record |
| |
|
| |
| Author |
Verreck, D.; Verhulst, A.S.; Van de Put, M.L.; Sorée, B.; Magnus, W.; Collaert, N.; Mocuta, A.; Groeseneken, G. |
| Title |
Self-consistent 30-band simulation approach for (non-)uniformly strained confined heterostructure tunnel field-effect transistors |
Type |
P1 Proceeding |
| Year |
2017 |
Publication |
Simulation of Semiconductor Processes and, Devices (SISPAD)AND DEVICES (SISPAD 2017) |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
29-32 |
| Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
| Abstract |
Heterostructures of III-V materials under a mechanical strain are being actively researched to enhance the performance of the tunnel field-effect transistor (TFET). In scaled III-V device structures, however, the interplay between the effects of strain and quantum confinement on the semiconductor band structure and hence the performance is highly non-trivial. We have therefore developed a computationally efficient quantum mechanical simulator Pharos, which enables self-consistent full-zone k.p-based simulations of III-V TFETs under a general non-uniform strain. We present the self-consistent procedure and demonstrate it on confined staggered bandgap GaAs0.5Sb0.5/In0.53Ga0.47As TFETs. We find a large performance degradation due to size-induced quantum confinement compared to non-confined devices. We show that some performance can be regained either by applying a uniform biaxial tensile strain or through the non-uniform strain profile at a lattice-mismatched heterostructure. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Ieee |
Place of Publication |
New york |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
|
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
978-4-86348-610-2 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:149949 |
Serial |
4978 |
| Permanent link to this record |
| |
|
| |
| Author |
Zhang, H.; Gauquelin, N.; McMahon, C.; Hawthorn, D.G.; Botton, G.A.; Wei, J.Y.T. |
| Title |
Synthesis of high-oxidation Y-Ba-Cu-O phases in superoxygenated thin films |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Physical review materials |
Abbreviated Journal |
|
| Volume |
2 |
Issue |
3 |
Pages |
033803 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
It is known that solid-state reaction in high-pressure oxygen can stabilize high-oxidation phases of Y-Ba-Cu-O superconductors in powder form. We extend this superoxygenation concept of synthesis to thin films which, due to their large surface-to-volume ratio, are more reactive thermodynamically. Epitaxial thin films of YBa2Cu3O7-delta grown by pulsed laser deposition are annealed at up to 700 atm O-2 and 900 degrees C, in conjunction with Cu enrichment by solid-state diffusion. The films show the clear formation of Y2Ba4Cu7O15-delta and Y2Ba4Cu8O16 as well as regions of YBa2Cu5O9-delta and YBa2Cu6O10-delta phases, according to scanning transmission electron microscopy, x-ray diffraction, and x-ray absorption spectroscopy. Similarly annealed YBa2Cu3O7-delta powders show no phase conversion. Our results demonstrate a route of synthesis towards discovering more complex phases of cuprates and other superconducting oxides. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Physical Society |
Place of Publication |
College Park, Md |
Editor |
|
| Language |
|
Wos |
000428244900004 |
Publication Date |
2018-03-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
2 |
Open Access |
Not_Open_Access |
| Notes |
; This work is supported by NSERC, CFI-OIT, and CIFAR. The electron microscopy work was carried out at the Canadian Centre for Electron Microscopy, a National Facility supported by the Canada Foundation for Innovation under the Major Science Initiative program, McMaster University, and NSERC. The XAS work was performed at the Canadian Light Source, which is supported by NSERC, NRC, CIHR, and the University of Saskatchewan. ; |
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:150829 |
Serial |
4982 |
| Permanent link to this record |
| |
|
| |
| Author |
Sieger, M.; Pahlke, P.; Lao, M.; Meledin, A.; Eisterer, M.; Van Tendeloo, G.; Schultz, L.; Nielsch, K.; Huehne, R. |
| Title |
Thick secondary phase pinning-enhanced YBCO films on technical templates |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
IEEE transactions on applied superconductivity |
Abbreviated Journal |
|
| Volume |
28 |
Issue |
4 |
Pages |
8000505 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The critical current I-c(B) of YBa2Cu3O7-delta (YBCO) coated conductors can be increased by growing thicker superconductor layers as well as improving the critical current density J(c)(B) by the incorporation of artificial pinning centers. We studied the properties of pulsed laser deposited BaHfO3 (BHO)-doped YBCO films with thicknesses of up to 5 mu m on buffered rolling-assisted biaxially textured Ni-5 at % W tape and alternating beam assisted deposition textured Yttrium-stabilized ZrO2 layers on stainless steel. X-Ray diffraction confirms the epitaxial growth of the superconductor on the buffered metallic template. BHO additions reduce the film porosity and lower the probability to grow misoriented grains, hence preventing the J(c) decrease observed in undoped YBCO films with thicknesses > 2 mu m. Thereby, a continuous increase in I-c at 77 K is achieved. A mixed structure of secondary phase nanorods and platelets with different orientations increases J(c)(B) in the full angular range and simultaneously lowers the J(c) anisotropy compared to pristine YBCO. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000427623700001 |
Publication Date |
2018-01-30 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1051-8223 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.288 |
Times cited |
1 |
Open Access |
Not_Open_Access |
| Notes |
; This work was supported by EUROTAPES, a collaborative project funded by the European Commission's Seventh Framework Program (FP7 / 2007 – 2013) under Grant Agreement no. 280432. Max Sieger acknowledges funding by the Graduate Academy of the Technical University Dresden, funded by means of the Excellence Initiative by the German Federal and State Governments. ; |
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:150712 |
Serial |
4986 |
| Permanent link to this record |
| |
|
| |
| Author |
Razzokov, J.; Yusupov, M.; Bogaerts, A. |
| Title |
Possible Mechanism of Glucose Uptake Enhanced by Cold Atmospheric Plasma: Atomic Scale Simulations |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Plasma |
Abbreviated Journal |
|
| Volume |
1 |
Issue |
1 |
Pages |
|
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Cold atmospheric plasma (CAP) has shown its potential in biomedical applications, such as wound healing, cancer treatment and bacterial disinfection. Recent experiments have provided evidence that CAP can also enhance the intracellular uptake of glucose molecules which is important in diabetes therapy. In this respect, it is essential to understand the underlying mechanisms of intracellular glucose uptake induced by CAP, which is still unclear. Hence, in this study we try to elucidate the possible mechanism of glucose uptake by cells by performing computer simulations. Specifically, we study the transport of glucose molecules through native and oxidized membranes. Our simulation results show that the free energy barrier for the permeation of glucose molecules across the membrane decreases upon increasing the degree of oxidized lipids in the membrane. This indicates that the glucose permeation rate into cells increases when the CAP oxidation level in the cell membrane is increased. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
|
Publication Date |
2018-06-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2571-6182 |
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
| Notes |
The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the Universiteit Antwerpen. |
Approved |
Most recent IF: NA |
| Call Number |
PLASMANT @ plasmant @ plasma1010011c:irua:152176 |
Serial |
4990 |
| Permanent link to this record |
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| Author |
van den Bos, K.H.W.; Altantzis, T.; De Backer, A.; Van Aert, S.; Bals, S. |
| Title |
Recent breakthroughs in scanning transmission electron microscopy of small species |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Advances in Physics: X |
Abbreviated Journal |
Advances in Physics: X |
| Volume |
3 |
Issue |
3 |
Pages |
1480420 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Over the last decade, scanning transmission electron microscopy has become one of the most powerful tools to characterise nanomaterials at the atomic scale. Often, the ultimate goal is to retrieve the three-dimensional structure, which is very challenging since small species are typically sensitive to electron irradiation. Nevertheless, measuring individual atomic positions is crucial to understand the relation between the structure and physicochemical properties of these (nano)materials. In this review, we highlight the latest approaches that are available to reveal the 3D atomic structure of small species. Finally, we will provide an outlook and will describe future challenges where the limits of electron microscopy will be pushed even further. |
| 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 |
000441619500001 |
Publication Date |
2018-08-13 |
| 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 |
2374-6149 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
8 |
Open Access |
OpenAccess |
| Notes |
This work was supported by the Research Foundation Flanders (FWO, Belgium) under Grant G.0368.15N, G.0369.15N, and G.0267.18N, by personal FWO Grants to K. H. W. van den Bos, T. Altantzis, and A. De Backer, and the European Research Council under Grant 335078 COLOURATOM to S. Bals. The authors would like to thank the colleagues who have contributed to this work over the years, including A. M. Abakumov, K. J. Batenburg, E. Countiño-Gonzalez, C. de Mello Donega, R. Erni, J. J. Geuchies, B. Goris, J. Hofkens, L. Jones, P. Lievens, L. M. Liz-Marzán, I. Lobato, G. T. Martinez, P. D. Nellist, B. Partoens, M. B. J. Roeffaers, M.D. Rossell, B. Schoeters, M. J. Van Bael, W. van der Stam, M. van Huis, G. Van Tendeloo, D. Vanmaekelbergh, and N. Winckelmans. (ROMEO:green; preprint:; postprint:can ; pdfversion:can); saraecas; ECAS_Sara; |
Approved |
Most recent IF: NA |
| Call Number |
EMAT @ emat @c:irua:152820UA @ admin @ c:irua:152820 |
Serial |
5007 |
| Permanent link to this record |
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| Author |
Hai, G.-Q.; Candido, L.; Brito, B.G.A.; Peeters, F.M. |
| Title |
Electron pairing: from metastable electron pair to bipolaron |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Journal of physics communications |
Abbreviated Journal |
|
| Volume |
2 |
Issue |
3 |
Pages |
Unsp 035017 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Starting from the shell structure in atoms and the significant correlation within electron pairs, we distinguish the exchange-correlation effects between two electrons of opposite spins occupying the same orbital from the average correlation among many electrons in a crystal. In the periodic potential of the crystal with lattice constant larger than the effective Bohr radius of the valence electrons, these correlated electron pairs can form a metastable energy band above the corresponding single-electron band separated by an energy gap. In order to determine if these metastable electron pairs can be stabilized, we calculate the many-electron exchange-correlation renormalization and the polaron correction to the two-band system with single electrons and electron pairs. We find that the electron-phonon interaction is essential to counterbalance the Coulomb repulsion and to stabilize the electron pairs. The interplay of the electron-electron and electron-phonon interactions, manifested in the exchange-correlation energies, polaron effects, and screening, is responsible for the formation of electron pairs (bipolarons) that are located on the Fermi surface of the single-electron band. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
IOP Publishing |
Place of Publication |
Bristol |
Editor |
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| Language |
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Wos |
000434996900022 |
Publication Date |
2018-02-13 |
| 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 |
2399-6528 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
9 |
Open Access |
|
| Notes |
; This work was supported by the Brazilian agencies FAPESP and CNPq. GQH would like to thank Prof. Bangfen Zhu for his invaluable support and expert advice. ; |
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:152079UA @ admin @ c:irua:152079 |
Serial |
5022 |
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| Author |
Saberi-Pouya, S. |
| Title |
Many body properties in monolayer and doublelayer black phosphorus |
Type |
Doctoral thesis |
| Year |
2018 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
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| Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
| Abstract |
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Thesis |
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Place of Publication |
Antwerpen |
Editor |
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Wos |
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Publication Date |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:151744 |
Serial |
5032 |
| Permanent link to this record |
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| |
| Author |
Karakulina, O. |
| Title |
Quantitative electron diffraction tomography for structure characterization of cathode materials for Li-ion batteries |
Type |
Doctoral thesis |
| Year |
2018 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
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| Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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Place of Publication |
Antwerpen |
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Wos |
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Publication Date |
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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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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:151805 |
Serial |
5039 |
| Permanent link to this record |
