Orateur
Tanguy Colleu-Banse
({UAI}0440984F)
Description
The first part of this work focuses on finding a potential to describe graphitic materials with their registry dependance. Five different potential have been studied by checking the C-C bond-lengh in Graphene, the interlayer distance in Graphite, the binding energy shift for different stacking configuration and the diametre at which collapsed carbon nanotubes (CCNT) are more stable than carbon nanotubes. The second part is about studying chiral CCNT's self-twisting through thermal treatment simulation in a NVT environment with a focus on the registry's implication.
| Choix de session parallèle | Autres: Matière Condensée |
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Author
Tanguy Colleu-Banse
({UAI}0440984F)
Co-auteurs
Anthony Impellizzeri
(IMN Nantes)
Dr
Jeremy Rio
(IMN Nantes)
Yuman Sayed-Ahmad Baraza
(IMN Nantes)
Dr
Xiaoyang Che
(IMN Nantes / CRPP Bordeaux)
Christopher EWELS
({CNRS}UMR6502)
