Selective Wrapping and Supramolecular Structures of Polyfluorene–Carbon Nanotube Hybrids

Abstract

We report on the photophysical properties of single-walled carbon nanotube (SWNT) suspensions in toluene solutions of poly[9,9-dioctylfluorenyl-2,7-diyl](PFO). Steady-state and time-resolved photoluminescence spectroscopy in the near-infrared and visible spectral regions are used to study the interaction of the dispersed SWNTs with the wrapped polymer. Molecular dynamics simulations of the PFO-SWNT hybrids in toluene were carried out to evaluate the energetics of different wrapping geometries. The simulated fluorescence spectra in the visible region were obtained by the quantum chemical ZINDO-CI method, using a sampling of structures obtained from the dynamics trajectories. The tested schemes consider polymer chains aligned along the nanotube axis, where chirality has a minimal effect, or forming helical structures, where a preference for high chiral angles is evidenced. Moreover, toluene affects the polymer structure favoring the helical conformation. Simulations show that the most stable hybrid system is the PFO-wrapped (8,6) nanotube, in agreement with the experimentally observed selectivity.

A review on the role of interface in mechanical, thermal, and electrical properties of polymer composites

“…Wrapping fillers by polymer chains, in addition to increment of the interaction, is useful for better dispersion of the fillers in the matrix [51][52][53][54]. Wrapping of the nanotubes by the polymer chains has been explained by presence of π-π stacking [55][56][57][58][59], hydrophobic [60], and VDW interactions [61,62].…”

Inkjet Printed Single‐Walled Carbon Nanotube Based Ambipolar and Unipolar Transistors for High‐Performance Complementary Logic Circuits

“…[ 20,21 ] Among those, non-covalent functionalization through conjugated polymers chains is proving to be a powerful approach for the high-yield sorting of s-SWCNTs and the production of stable dispersions. [22][23][24][25][26] Following this approach, high mobility FETs, with values up to 33 cm 2 V −1 s −1 and on-off ratios up to 10 8 have been recently demonstrated by adopting coating techniques such casting or blade-coating. [ 21,24,27,28 ] Scalable printing techniques enabling the patterning of the semiconductor would also be important in allowing the deposition of controlled volumes in specifi c areas of circuits thus reducing materials waste, parasitism and enabling complex circuits fabrication.…”

Interação de nanotubos de carbono e cadeias de polifluoreno: Dinâmica molecular e espectroscopia

“…4.11. (a) Fotoluminescência do PFO livre (azul tracejado) e interagindo com nanotubos CoMoCAT (preto), conforme medido em [36] . Espera-se que cadeias de PFO tenham menos liberdade de movimento quando envolvem nanotubos de carbono.…”

“…Discussões sobre esse resultado levaram o grupo de M. A. Loi a repetir o experimento [36] utilizando nanotubos produzidos pelo método de conversão de CO a alta pressão (HiPCO), que produz nanotubos de maior diâmetro que o CoMoCAT, de forma que a espécie mais abundante na suspensão é a (8,6) [28] . O resultado se encontra na Fig.…”

“…4.12. Nela, observamos que a presença do tubo (8, 6) na amostra (a) Fotoluminescência do PFO livre (azul tracejado) e interagindo com nanotubos HiPCO (preto), conforme medido em [36] . não modi ca tão drasticamente o espectro quanto no caso anterior, apenas uma redução no primeiro pico, referente à transição (0 -0).…”