Pressure-Induced Phase Transitions of Single-Walled Carbon Nanotubes: Simulations of X-Ray Diffraction

被引：2

作者：

Talla, Jamal A. ^{[1
]}

Al-Sharif, Abdullah ^{[2
]}

Al-Jaafari, Abdullah ^{[1
]}

Sabbah, Hussein ^{[1
]}

机构：

[1] King Faisal Univ, Dept Phys, Al Ahsaa 31982, Saudi Arabia

[2] Umm Al Qura Univ, Leith Coll, Mecca 21955, Saudi Arabia

来源：

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE | 2013年 / 10卷 / 11期

关键词：

SWCNTs; X-Ray Diffraction; Simulations; Applied Pressure; Intensity; Bragg Law; FABRICATION;

D O I：

10.1166/jctn.2013.3261

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Pressure-induced structural changes of single-wall carbon nanotubes organized into two-dimensional crystalline bundles are studied by simulating X-ray diffraction. The sizable variation in the Bragg peak position with pressure appears as the induced hydrostatic pressure deforms the tubular cross section. We calculated the X-ray profiles of different simulated nanotube geometries upon the application of hydrostatic pressures ranging from 0 to 4.5 GPa. It was found that an increase in the hydrostatic pressure results in a downshift in the 2 theta angle of the nanotubes; in addition, as a response to the increase in the hydrostatic pressure, the X-ray intensity increased systematically in all profiles.

引用

页码：2631 / 2635

页数：5

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