Computational Investigation of Interacting Nanohole Defects for Carbon Nanotube Cross-Linking and Functionalization with Bismaleimide: Implications for Ultrastrong, Lightweight Nanocomposites
Abstract:Carbon nanotubes (CNTs) reinforced with bismaleimide
(BMI) are
promising extreme materials for space exploration. Irradiation is
a potential method to improve their mechanical properties, but the
atomic-level details of how radiation affects CNTs are not well understood.
Using density functional theory based tight-binding, we investigate
interacting nanohole defects in bilayer graphene as model systems
for radiation-treated, flattened CNTs. The covalent cross-linking
improves the load transfer between the grap… Show more
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