Ohba Tomonori, Kanoh Hirofumi, Yudasaka Masako, Iijima Sumio, Kaneko Katsumi
Department of Chemistry, Faculty of Science, Chiba University, 1-33 Yayoi, Inage, Chiba 263-8522, Japan.
J Phys Chem B. 2005 May 12;109(18):8659-62. doi: 10.1021/jp0503011.
The average interstitial nanopore structure of single-wall carbon nanohorn (SWNH) assemblies was determined using X-ray diffraction and grand canonical Monte Carlo (GCMC) simulation aided N(2) adsorption at 77 K. The interstitial nanopores of SWNH assemblies can be regarded as quasi one-dimensional pores due to the partial orientation of the SWNH particles; the average pore width of the interstitial pores is 0.6 nm. Good agreement between the GCMC simulation of a structural model with one-dimensional interstitial nanopores and an experimental adsorption isotherm below P/P(0) = 10(-4) is evidence of the quasi one-dimensionality of the interstitial nanopores. A snapshot from the GCMC simulation showed one-dimensional growth of adsorbed N(2) molecules.
通过X射线衍射以及在77K下借助巨正则蒙特卡罗（GCMC）模拟的N₂吸附，确定了单壁碳纳米角（SWNH）组装体的平均间隙纳米孔结构。由于SWNH颗粒的部分取向，SWNH组装体的间隙纳米孔可被视为准一维孔；间隙孔的平均孔径为0.6nm。具有一维间隙纳米孔的结构模型的GCMC模拟与P/P(0) = 10⁻⁴以下的实验吸附等温线之间的良好一致性证明了间隙纳米孔的准一维性。GCMC模拟的一张快照显示了吸附的N₂分子的一维生长。
