Publications [#261089] of Stefano Curtarolo

Papers Published
  1. Harutyunyan, AR; Mora, E; Tokune, T; Bolton, K; Rosén, A; Jiang, A; Awasthi, N; Curtarolo, S, Hidden features of the catalyst nanoparticles favorable for single-walled carbon nanotube growth, Applied Physics Letters, vol. 90 no. 16 (2007), pp. 163120 [1.2730730], [doi] .

    Combining in situ studies of the catalyst activity during single-walled carbon nanotube (SWCNT) growth by mass spectrometry with differential scanning calorimetry and Raman spectroscopy results, the authors expose the favorable features of small catalyst for SWCNT growth and their relationship with synthesis parameters. The sequential introduction of 12C and 13C labeled hydrocarbon reveals the influence of catalyst composition on its lifetime and the growth termination path. Ab initio and molecular dynamics simulations corroborate "V"-shape liquidus line of metal-carbon nanoparticle binary phase diagram, which explains observed carbon-induced solid-liquid-solid phase transitions during nanotube growth. © 2007 American Institute of Physics.