论文标题
压力的数值模拟$ sp^2 $ - $ sp^3 $缺陷碳纳米管过渡
Numerical Simulations of Pressure Induced $sp^2$-$sp^3$ Transitions in Defect Carbon Nanotubes
论文作者
论文摘要
研究了压力和空置缺陷的组合，以找到理想的条件，这些条件会造成有意义的$ sp^3 $相互联系而不会对单壁碳纳米管（SWCNT）造成严重损害。自然发生的缺陷无法诱导相互联系。空缺类型的引入降低了SWCNT的塌陷压力。空缺缺陷，高温和低压的组合可引起$ sp^3 $，而不会对纳米管造成严重损害。使用拉曼光谱法分析了纳米管加压之前和之后引起的结构变化。
The combination of pressure and vacancy defects are investigated to find the ideal conditions that would create meaningful $sp^3$ interlinking without causing severe damage to the single-walled carbon nanotubes (SWCNTs). Naturally occurring defects fail to induce interlinking. The introduction of vacancy type defects reduces the collapse pressure of the SWCNTs. The combination of vacancy defects, high temperature and low pressure induces $sp^3$ without causing severe damage to the nanotubes. Structural changes caused before and after pressurization of the nanotubes were analyzed using Raman spectroscopy.
