Publications [#261079] of Stefano Curtarolo

Papers Published
  1. Duan, H; Ding, F; Rosén, A; Harutyunyan, A; Tokune, T; Curtarolo, S; Bolton, K, Initial growth of single-walled carbon nanotubes on supported iron clusters: A molecular dynamics study, The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics, vol. 43 no. 1-3 (2007), pp. 185-189 [doi] .

    Abstract:
    Molecular dynamics simulations were used to study the initial growth of single-walled carbon nanotubes (SWNTs) on a supported iron cluster (Fe 50). Statistical analysis shows that the growth direction of SWNTs becomes more perpendicular to the substrate over time due to the weak interaction between carbon nanotube and the substrate. The diameter of the nanotube also increases with the simulation time and approaches the size of the supported iron cluster. © EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2007.