Carbon nanotubes are considered as promising nanoscale materials because of their unique structural, mechanical, and electronic properties. From the unique structure of long seamless cylindrical shape, it would be applied as effective nano-channels for mass transfer and relevant container for hydrogen molecules. We study hydrogen transport mechanisms in single-walled carbon nanotube (SWNT) for various chiral indices and different peculiarities, using the molecular dynamics simulation and quantum mechanics. The behavior of hydrogen molecules (H2) inside a SWNT is analyzed using mean-square displacements. From the quantum mechanics, also, the electronic density of SWNT is calculated for verifying the smooth characteristics of inner surfaces of nanotubes.
- Nanotechnology Institute
Transport of Hydrogen Molecules in Single-Walled Carbon Nanotube
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Oh, KS, Kim, D, Park, S, Kwon, O, Choi, YK, & Lee, JS. "Transport of Hydrogen Molecules in Single-Walled Carbon Nanotube." Proceedings of the 2008 Second International Conference on Integration and Commercialization of Micro and Nanosystems. 2008 Second International Conference on Integration and Commercialization of Micro and Nanosystems. Clear Water Bay, Kowloon, Hong Kong. June 3–5, 2008. pp. 401-403. ASME. https://doi.org/10.1115/MicroNano2008-70248
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