In this study, we present an effective molecular design strategy to develop the n-type charge transport characteristics in organic semiconductors, using ring-fused double perylene diimides (DPDIs) as the model compounds.

We investigated the optoelectronic and photovoltaic properties of three types of acceptor-donor-acceptor-based non-fullerene acceptor (NFA) molecules for organic solar cell (OSC) applications. Density functional theory and its time-dependent variant were...

Theoretical investigation of charge transport and optoelectronic properties of the pyromellitic diimide derivatives; BPyDI, BPyDI1, BPIT, BPPIT, and BPPyDI using DFT methodology.

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