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Author |
Zhurkin, E.; Hou, M.; van Swygenhoven, H.; Pauwels, B.; Yandouzi, M.; Schryvers, D.; Van Tendeloo, G.; Lievens, P.; Verschoren, G.; Kuriplach, J.; van Peteghem, S.; Segers, D.; Dauwe, C. |
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Title |
Atomic scale modeling of supported and assembled nanoparticles |
Type |
P3 Proceeding |
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Year |
2001 |
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Issue |
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Pages |
B8.2,1-6 |
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Keywords |
P3 Proceeding; Electron microscopy for materials research (EMAT) |
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s.l. |
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0000-00-00 |
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UA library record |
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Notes  |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:48391 |
Serial |
186 |
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Author |
Kuriplach, J.; van Petegem, S.; Hou, M.; Van Tendeloo, G.; Schryvers, D.; et al. |
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Title |
Positron annihilation study of nanocrystalline Ni3Al : simulations and measurements |
Type |
A1 Journal article |
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Year |
2001 |
Publication |
Materials science forum
T2 – 12th International Conference on Positron Annihilation (ICPA-12), AUG 06-12, 2000, UNIV BUNDERSWEHR MUNCHEN, NEUBIBERG, GERMANY |
Abbreviated Journal |
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Volume |
363-3 |
Issue |
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Pages |
94-96 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A positron lifetime experiment is performed on samples produced by the compaction of nanocrystalline Ni3Al powder synthesized by the inert-gas condensation technique. In the lifetime spectrum we observe two components corresponding to defects. Computer (virtual) samples of n-Ni3Al are obtained using molecular dynamics combined with the Metropolis Monte Carlo technique. Positron lifetime calculations are then performed on selected regions of simulated samples. For this purpose, a new computational technique based on a generalization of the atomic superposition method for non-periodic systems was developed. Lifetimes calculated in this way are compared to experiment. |
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Place of Publication |
Lausanne |
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Wos |
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0000-00-00 |
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ISSN |
0-87849-875-3 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Notes |
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Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:102865 |
Serial |
2681 |
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Author |
Barbiellini, B.; Kuriplach, J.; Saniz, R. |
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Title |
Study of rechargeable batteries using advanced spectroscopic and computational techniques |
Type |
Editorial |
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Year |
2021 |
Publication |
Condensed Matter |
Abbreviated Journal |
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Volume |
6 |
Issue |
3 |
Pages |
26 |
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Keywords |
Editorial; Electron microscopy for materials research (EMAT) |
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Abstract |
Improving the efficiency and longevity of energy storage systems based on Li- and Na-ion rechargeable batteries presents a major challenge. The main problems are essentially capacity loss and limited cyclability. These effects are due to a hierarchy of factors spanning various length and time scales, interconnected in a complex manner. As a consequence, and in spite of several decades of research, a proper understanding of the ageing process has remained somewhat elusive. In recent years, however, combinations of advanced spectroscopy techniques and first-principles simulations have been applied with success to tackle this problem. In this Special Issue, we are pleased to present a selection of articles that, by precisely applying these methods, unravel key aspects of the reduction-oxidation reaction and intercalation processes. Furthermore, the approaches presented provide improvements to standard diagnostic and characterisation techniques, enabling the detection of possible Li-ion flow bottlenecks causing the degradation of capacity and cyclability. |
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000699368400001 |
Publication Date |
2021-07-26 |
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ISSN |
2410-3896 |
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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 |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:181630 |
Serial |
6890 |
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