Self-Assembly and Its Impact on Interfacial Charge Transfer in Carbon Nanotube/P3HT Solar Cells

Bernardi, Marco
Giulianini, Michele
Grossman, Jeffrey C.

Publication date

November 2010

Publisher

American Chemical Society (ACS)

Abstract

Charge transfer at the interface of conjugated polymer and nanoscale inorganic acceptors is pivotal in determining the efficiency of excitonic solar cells. Despite intense efforts, carbon nanotube/polymer solar cells have resulted in disappointing efficiencies (<2%) due in large part to poor charge transfer at the interface. While the interfacial energy level alignment is clearly important, the self-assembly and the interface structure also play a major role in facilitating this charge transfer. To understand and control this effect to our advantage, we study the interface of commonly used conductive polymer poly-3-hexylthiophene (P3HT) and single-walled carbon nanotubes (SWNTs) with a combination of molecular dynamics simulations, absorpti...