Department of Electrical Engineering, Kun Shan University, Tainan, Taiwan, Republic of China.
Phys Chem Chem Phys. 2011 Apr 7;13(13):6138-44. doi: 10.1039/c0cp02097d. Epub 2011 Feb 24.
The optical properties of carbon nanoscrolls in the presence of uniform electric fields are investigated by using gradient approximation. Absorption spectra exhibit rich prominent peaks structures, which is caused by one-dimensional sub-bands. The numbers, spectral intensities, and energies of the absorption peaks are strongly dependent on the geometry and the electric field strength. There exists an optical selection rule originating from the two equivalent sublattices in graphene. The two-fold degeneracy of the absorption peaks can be lifted by the inter-wall interactions or the electric field. The variations of the absorption peak energies with the geometry and field strength are also explored. These theoretical predictions can be validated by optical absorption measurements.
采用梯度近似方法研究了均匀电场存在下碳纳米卷的光学性质。吸收光谱呈现出丰富的显著峰值结构,这是由一维子带引起的。吸收峰的数量、谱强度和能量强烈依赖于几何形状和电场强度。存在一个源于石墨烯中两个等效子晶格的光学选择定则。通过壁间相互作用或电场可以消除吸收峰的两倍简并性。还研究了吸收峰能量随几何形状和场强的变化。这些理论预测可以通过光学吸收测量来验证。