Mixed-Orbital Charge Transport in N-Shaped Benzene- and Pyrazine-Fused Organic Semiconductors.

ABSTRACT: The hole-carrier transport of organic semiconductors is widely known to occur via intermolecular orbital overlaps of the highest occupied molecular orbitals (HOMO), though the effect of other occupied molecular orbitals on charge transport is rarely investigated. In this work, we first demonstrate evidence of a mixed-orbital charge transport concept in the high-performance N-shaped decyl-dinaphtho[2,3-d:2',3'-d']benzo[1,2-b:4,5-b']dithiophene (C₁₀-DNBDT-NW), where electronic couplings of the second HOMO (SHOMO) and third HOMO (THOMO) also contribute to the charge transport. We then present the molecular design of an N-shaped bis(naphtho[2',3':4,5]thieno)[2,3-b:2',3'-e]pyrazine (BNTP) π-electron system to induce more pronounced mixed-orbi

SUBMITTER: Yu CP 

PROVIDER: S-EPMC9490824 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature