Delocalization of exciton and electron wavefunction in non-fullerene acceptor molecules enables efficient organic solar cells.

ABSTRACT: A major challenge for organic solar cell (OSC) research is how to minimize the tradeoff between voltage loss and charge generation. In early 2019, we reported a non-fullerene acceptor (named Y6) that can simultaneously achieve high external quantum efficiency and low voltage loss for OSC. Here, we use a combination of experimental and theoretical modeling to reveal the structure-property-performance relationships of this state-of-the-art OSC system. We find that the distinctive π-π molecular packing of Y6 not only exists in molecular single crystals but also in thin films. Importantly, such molecular packing leads to (i) the formation of delocalized and emissive excitons that enable small non-radiative voltage loss, and (ii) delocalization of electron wavefunctions at donor/acceptor interf

SUBMITTER: Zhang G 

PROVIDER: S-EPMC7414148 | biostudies-literature | 2020 Aug

REPOSITORIES: biostudies-literature