文献类型：期刊文献

英文题名：Decoding structural complexity in conical carbon nanofibers

作者：Zhu, Yi-An[1,2];Wang, Zi-Jun[1,2];Cheng, Hong-Ye[1];Yang, Qin-Min[3];Sui, Zhi-Jun[1];Zhou, Xing-Gui[1];Chen, De[4]

机构：[1]East China Univ Sci & Technol, State Key Lab Chem Engn, UNLAB, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Shanghai Key Lab Multiphase Mat Chem Engn, Shanghai 200237, Peoples R China;[3]East China Univ Sci & Technol, Dept Math, Shanghai 200237, Peoples R China;[4]Norwegian Univ Sci & Technol, Dept Chem Engn, N-7491 Trondheim, Norway

年份：2017

卷号：19

期号：22

起止页码：14555

外文期刊名：PHYSICAL CHEMISTRY CHEMICAL PHYSICS

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000403327200038)】；

基金：This work is supported by the Natural Science Foundation of China (no. 21473053, 91645122, 21406063, U1663221) and the Fundamental Research Funds for the Central Universities (no. 222201718003). The computational time provided by the Notur project is highly acknowledged.

语种：英文

摘要：Conical carbon nanofibers (CNFs) exist primarily as graphitic ribbons that fold into a cylindrical structure with the formation of a hollow core. Structural analysis aided by molecular modeling proves useful for obtaining a full picture of how the size of the central channel varies from fiber to fiber. From a geometrical perspective, conical CNFs possibly have cone tips that are nearly closed. On the other hand, their fiber wall thickness can be reduced to a minimum possible value that is determined solely by the apex angle, regardless of the outer diameter. A formula has been developed to express the number of carbon atoms present in conical CNFs in terms of measurable structural parameters. It appears that the energetically preferred fiber wall thickness increases not only with the apex angle, but also with the number of atoms in the constituent graphitic cones. The origin of the empirical observation that conical CNFs with small apex angles tend to have a large hollow core lies in the fact that in graphene sheets that are more highly curved the curvature-induced strain energy rises more rapidly as the fiber wall thickens.