Fig. 1. (a) Relative energy of each CO nanotube; (b) the bond angle as a function of the diameter of each CO nanotube(a)每种CO纳米管的相对能量; (b)每种CO纳米管键角相对于直径的函数图像

Fig. 2. Lattice scanning energy diagrams (a) and cross sections (b) of various nanotubes according z direction 各纳米管z方向晶格扫描能量图(a)和横截面图(b)

Fig. 3. (a) Phonon spectra and (b) evolution of energy as a function of time during the molecular dynamics simulations at 300 K of Tube-4− Tube-6(a) Tube-4—Tube-6的声子谱; (b)分子动力学模拟图像

Fig. 4. Structure diagram of nanotube bundleTube-4—Tube-6纳米管堆垛而成的纳米管束结构

Fig. 5. (a) Enthalpy function of five different kinds of carbon monoxide crystals; (b) band gap and structural parameters vary with pressure of Bundles-5(a)五种不同一氧化碳晶体的焓变函数; (b) Bundles-5带隙和结构参数随压强的变化

Fig. 6. Band gap of Tube-4−Tube-6Tube-4—Tube-6的能带结构