Model experiments on the scattering of hydrogen atoms by the carbon nanotube surface have been carried out using molecular dynamics methods (ReaxFF, LAMMPS). A single-layer carbon nanotube with chirality (5.5), 0.693 nm in diameter, and 2.275 nm in length has been constructed in this work. It has been shown that the adsorption process prevails within the hydrogen atom energy range of 1−8 eV, while the maximum encapsulation process prevails within the range of 14−16 eV. It has been shown that the nature of the occurring processes depends both on the energy of scattered atoms and on the number of hydrogen atoms.
| Mualliflar | Улжаев, У.Б., Алябьев, Д.В., Ядгаров, И.Д. |
|---|---|
| Jurnal | O‘zbekiston fizika jurnali |
| Nashr sanasi | 2022-12-09 |
| Jild | 24 |
| Son | 4 |
| Betlar | 273-277 |
| Til | Rus |
| DOI | 10.52304/.v24i4.381 |
DOI: 10.52304/.v24i4.381 · Maqolaning asl sahifasi
хиральность, взаимодействия водорода, диаметр нанотрубки, углеродная нанотрубка, инплантация, атом водорода, моделирование, адсорбция, chirality, hydrogen interactions, nanotube diameter, carbon nanotube, implantation, hydrogen atom, modeling, аdsorption
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