| Autor: |
Zhili Zhu, Qiang Sun, Yu Jia |
| Jazyk: |
angličtina |
| Rok vydání: |
2016 |
| Předmět: |
|
| Zdroj: |
AIP Advances, Vol 6, Iss 3, Pp 035012-035012-6 (2016) |
| Druh dokumentu: |
article |
| ISSN: |
2158-3226 |
| DOI: |
10.1063/1.4944621 |
| Popis: |
The geometric and electronic properties of grain boundary (GB) in two-dimensional (2D) stanene have been investigated by first-principles calculations. Four typical GB structures with particularly low formation energies were found. These extended defects act as quasi-one-dimensional semiconductor or metallic wires depending on their geometric structures. Moreover, they are reactive and the adsorption of H atoms at the GB region is more stable than the stanene bulk region. A single H adsorption poses a drastic effect on the electronic behavior of GB defects, and the band structures can be tuned by the coverages of H adsorption at these GB defects in stanene. The present results indicate that GBs are important defects in stanene which may be useful for nanomaterial devices. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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