Hole transport in sulflower revisited: New insight from the band structure

Sulflower, a thiophene-based circulene, is a well-rounded candidate for hole transport with no experimental data so far living up to theoretical predictions. By calculating the band structure on its single crystal using density functional theory methods, we show that when in the band regime, charge transport in sulflower may not be extraordinary. (C) 2016 Elsevier B.V. All rights reserved.