Fraunhofer Institute for Mechanics of Material IWM, Freiburg, Germany.
ACS Nano. 2010 Dec 28;4(12):7587-95. doi: 10.1021/nn102118y. Epub 2010 Nov 9.
We study the restructuring of solid nickel catalyst nanoparticles during carbon nanotube growth by environmental transmission electron microscopy and multiscale modeling. Our molecular dynamics/continuum transport calculations of surface-diffusion-mediated restructuring are in quantitative agreement with the experimentally observed catalyst shape evolutions. The restructuring time scale is determined by reduced Ni diffusion through the stepped Ni-C interface region where the catalyst surface strongly anchors to the growing nanotube.
我们通过环境透射电子显微镜和多尺度建模研究了碳纳米管生长过程中固体镍催化剂纳米颗粒的重构。我们对表面扩散介导的重构的分子动力学/连续传输计算与实验观察到的催化剂形状演化定量一致。重构时间尺度由通过 Ni-C 界面区域的 Ni 扩散速率决定，其中催化剂表面强烈锚定在生长的纳米管上。
