Pressure Effects on the Structural, Electronic, and Optical Properties of Si-n@SWCNTs
文献类型：期刊论文
| 作者 | Zhang YH ; Meng J ; Zhang XQ ; Li H ; Taft CA |
| 刊名 | international journal of quantum chemistry
 |
| 出版日期 | 2009 |
| 卷号 | 109期号:6页码:1385-1395 |
| 关键词 | CARBON NANOTUBES NANOWIRES TRANSISTORS |
| ISSN号 | 0020-7608 |
| 通讯作者 | taft ca |
| 中文摘要 | well-ordered single, double/four parallel, three/four-strands helical chains, and five-strand helical chain with a single atom chain at the center of si nanowires (nws) inside single-walled carbon nanotubes (si-n@swcnts) are obtained by means of molecular dynamics. on the basis of these optimized structures, the structural evolution of si-n@swcnts subjected to axial stress at low temperature is also investigated. interestingly, the double parallel chains depart at the center and transform into two perpendicular parts, the helical shell transformed into chain, and the strand number of si nws increases during the stress load. through analyzis of pair correlation function (pcf), the density of states (dos), and the z-axis polarized absorption spectra of si-n@swcnts, we find that the behavior of si-n@swcnts under stress strongly depends on swcnts' symmetry, diameter, as well as the shape of nws, which provide valuable information for potential application in high pressure cases such as seabed cable. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000264573900022 |
| 公开日期 | 2010-06-18 |
| 源URL | [http://202.98.16.49/handle/322003/13017]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Zhang YH,Meng J,Zhang XQ,et al. Pressure Effects on the Structural, Electronic, and Optical Properties of Si-n@SWCNTs[J]. international journal of quantum chemistry,2009,109(6):1385-1395. |
| APA | Zhang YH,Meng J,Zhang XQ,Li H,&Taft CA.(2009).Pressure Effects on the Structural, Electronic, and Optical Properties of Si-n@SWCNTs.international journal of quantum chemistry,109(6),1385-1395. |
| MLA | Zhang YH,et al."Pressure Effects on the Structural, Electronic, and Optical Properties of Si-n@SWCNTs".international journal of quantum chemistry 109.6(2009):1385-1395. |
入库方式： OAI收割
来源：长春应用化学研究所
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