Increasing Charge Carrier Mobility through Modifications of Terminal Groups of Y6: A Theoretical Study.

ABSTRACT: The applications of non-fullerene acceptor Y6 with a new type of A₁-DA₂D-A₁ framework and its derivatives have increased the power conversion efficiency (PCE) of organic solar cells (OSCs) up to 19%. Researchers have made various modifications of the donor unit, central/terminal acceptor unit, and side alkyl chains of Y6 to study the influences on the photovoltaic properties of OSCs based on them. However, up to now, the effect of changes of terminal acceptor parts of Y6 on the photovoltaic properties is not very clear. In the present work, we have designed four new acceptors-Y6-NO₂, Y6-IN, Y6-ERHD, and Y6-CAO-with different terminal groups, which possess diverse electron-withdrawing ability. Computed results show that with the enhanced electron-

SUBMITTER: Xiang Y 

PROVIDER: S-EPMC10218651 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature