Abstract
Carbon nanotube aerogels are interesting platforms for the manufacture of lightweight composites. To guide the development, we screen with tight-binding atomistic calculations two primary crystalline organizations of nanotubes with 1.4-4.5 nm radii and 1-3 number of walls. Calculations reveal a crossover from polygonized nanotubes with hexagonal close-packing organizations to collapsed shapes organized in stacks. The energies of the two modes are captured into a concise form, which predicts the crossover radii and domains of their dominance. The graphite-like phase formed with collapsed nanotubes allows for ∼1 TPa Young's moduli. Bundles of collapsed nanotubes emerge as natural candidates for the developmnent of ultrastrong composites.
Original language | English (US) |
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Pages (from-to) | 5014-5018 |
Number of pages | 5 |
Journal | ACS Applied Nano Materials |
Volume | 3 |
Issue number | 6 |
DOIs | |
State | Published - Jun 26 2020 |
Bibliographical note
Publisher Copyright:© 2020 American Chemical Society.
Keywords
- Young's moduli
- atomistic calculations
- carbon nanotubes
- nanocomposites
- strength