| Journal: | Brazilian journal of physics |
| Database: | PERIÓDICA |
| System number: | 000390400 |
| ISSN: | 0103-9733 |
| Authors: | Rouhi, Saeed1 Ghasemi, Ali2 Salmalian, Kaveh1 |
| Institutions: | 1Islamic Azad University, Young Researchers Club, Langroud, Guilan. Irán 2Islamic Azad University, Science and Research Branch, Teherán. Irán |
| Year: | 2015 |
| Season: | Abr |
| Volumen: | 45 |
| Number: | 2 |
| Pages: | 206-212 |
| Country: | Brasil |
| Language: | Inglés |
| Document type: | Artículo |
| Approach: | Experimental, analítico |
| English abstract | Molecular dynamics (MD) simulation is used to investigate the vibrational behavior of γ-graphyne and its family. Five different nanosheet types including graphyne, graphdiyne, 3-graphyne, 4-graphyne, and 5-graphyne are considered for investigation. The fundamental natural frequencies of armchair and zigzag nanosheets with different geometrical sizes under different boundary conditions are computed. It is shown that increasing the size of γ-graphyne results in decreasing the natural frequency. Comparing the vibrational behavior of armchair and zigzag nanosheets, it is shown that for large nanosheets, the effect of atomic structure on the fundamental natural frequency can be neglected. Besides, it is represented that increasing the number of acetylene links connecting neighboring hexagons in the structure of nanosheets leads to decreasing the frequency |
| Disciplines: | Física y astronomía |
| Keyword: | Física de materia condensada, Graphyne, Vibración, Dinámica molecular, Carbono |
| Keyword: | Physics and astronomy, Condensed matter physics, Graphyne, Vibration, Molecular dynamics, Carbon |
| Full text: | Texto completo (Ver PDF) |
