Endohedral Filling Effects in Sorted and Polymer-Wrapped Single-Wall Carbon Nanotubes

Widespread use of the polymer extraction method for single-wall carbon nanotubes (SWCNTs) and ability endohedral functionalization to alter their material properties make it important examine effect filling on separation result. Rate-zonal centrifugation is used obtain empty, water-filled perfluorooctane-filled large (∼1.45 nm), single-chirality small (∼0.78 nm) diameter SWCNTs. These are transferred from water toluene by dispersion with poly[(9,9-dioctylfluorenyl-2,7-diyl)-alt-co-(6,6′-(2,2′-bipyridine))] (PFO-BPy), absorption Raman spectroscopy follow extent at each step. Measurements made before after (supernatant) but also in pellet. PFO-BPy found stabilize endohedral-functionalized SWCNTs supernatant, a clear preference less-filled or empty species shown. Molecular dynamics simulations model spectrum encapsulated molecules PFO-BPy/SWCNT/toluene system explain why partial difficult directly measure. findings then interpret results obtained raw soot (without intentional filling) view low yield polymer-based SWCNT extraction.