| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Chroneos, Alexander
University of Thessaly
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (13/13 displayed)
- 2024Using the Bond Valence Sum Model to calculate Li-diffusion pathways in Silicene with MgX2 (X=Cl, Br, I) substrates
- 2023Efficient and Stable Air-Processed Ternary Organic Solar Cells Incorporating Gallium-Porphyrin as an Electron Cascade Material.
- 2023A density functional theory study of the CiN and the CiNOi complexes in siliconcitations
- 2022DFT insights into the electronic structure, mechanical behaviour, lattice dynamics and defect processes in the first Sc-based MAX phase Sc2SnCcitations
- 2022Carbon Nanodots as Electron Transport Materials in Organic Light Emitting Diodes and Solar Cells.
- 2022Core–shell carbon-polymer quantum dot passivation for near infrared perovskite light emitting diodescitations
- 2021Defect processes in halogen doped SnO2citations
- 2020The interstitial carbon–dioxygen center in irradiated siliconcitations
- 2019Impact of local composition on the energetics of E-centres in Si1−xGex alloyscitations
- 2019Engineering Transport in Manganites by Tuning Local Nonstoichiometry in Grain Boundariescitations
- 2018Smartphones as an integrated platform for monitoring driver behaviour: The role of sensor fusion and connectivitycitations
- 2017M3AlC2 MAX phases for nuclear applications
- 2017Defect processes of Ti3AC2 MAX phases: Insights from atomistic modelling
Places of action
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document
Defect processes of Ti3AC2 MAX phases: Insights from atomistic modelling
Abstract
Mn+1AXn phases (M = early transition metal; A = group 13-16 element and X = C or N) have numerous advantageous metallic and ceramic properties constituting them appropriate for structural applications particularly where high thermal conductivity and operating temperature is necessary. These are key properties for materials considered for nuclear fuel cladding. Here, we employ density functional theory calculations to investigate the intrinsic defect processes of a range of new Ti3AC2 phases. We discuss the findings in comparison with the recent available experimental results. Based on the intrinsic defect reactions we discuss which compositions can be employed for nuclear fuel cladding and the storage of nuclear waste.