Li Yiming, Peng Shu, Mann David, Cao Jien, Tu Ryan, Cho K J, Dai Hongjie
Department of Chemistry and Laboratory for Advanced Materials, Stanford University, Stanford, California 94305, USA.
J Phys Chem B. 2005 Apr 21;109(15):6968-71. doi: 10.1021/jp050868h.
A correlation is observed between the diameters (d) of single-walled carbon nanotubes and the percentages of metallic and semiconducting tubes synthesized at 600 degrees C by plasma-assisted chemical vapor deposition. Small tubes (d approximately 1.1 nm) show semiconductor percentages that are much higher than expected for a random chirality distribution. Density functional theory calculations reveal differences in the heat of formation energies for similar-diameter metallic, quasi-metallic, and semiconducting nanotubes. Semiconducting tubes exhibit the lowest energies and the stabilization scales with approximately 1/d(2). This could be a thermodynamic factor in the preferential growth of small semiconducting nanotubes.
通过等离子体辅助化学气相沉积在600摄氏度下合成的单壁碳纳米管的直径（d）与金属管和半导体管的百分比之间存在相关性。小管（d约为1.1纳米）显示出的半导体百分比远高于随机手性分布所预期的百分比。密度泛函理论计算揭示了直径相似的金属、准金属和半导体纳米管在生成热能量方面的差异。半导体管表现出最低的能量，且稳定性尺度约为1/d(2)。这可能是小半导体纳米管优先生长的一个热力学因素。
