DFT based modeling of asymmetric non-fullerene acceptors for high-performance organic solar cell

Non-Fullerene Electron Acceptors for Use in Organic Solar Cells

The active layer in a solution processed organic photovoltaic device comprises a light absorbing electron donor semiconductor, typically a polymer, and an electron accepting fullerene acceptor. Although there has been huge effort targeted to optimize the absorbing, energetic, and transport properties of the donor material, fullerenes remain as the exclusive electron acceptor in all high perform...

Energy Level Tuning of Non-Fullerene Acceptors in Organic Solar Cells

The use of non-fullerene acceptors in organic photovoltaic (OPV) devices could lead to enhanced efficiencies due to increased open-circuit voltage (VOC) and improved absorption of solar light. Here we systematically investigate planar heterojunction devices comprising peripherally substituted subphthalocyanines as acceptors and correlate the device performance with the heterojunction energetics...

Characterization of High-Performance Organic Dyes for Dye- Sensitized Solar Cell: A DFT/TDDFT Study

Covalently Bound Clusters of Alpha-Substituted PDI-Rival Electron Acceptors to Fullerene for Organic Solar Cells.

A cluster type of electron acceptor, TPB, bearing four α-perylenediimides (PDIs), was developed, in which the four PDIs form a cross-like molecular conformation while still partially conjugated with the BDT-Th core. The blend TPB:PTB7-Th films show favorable morphology and efficient charge dissociation. The inverted solar cells exhibited the highest PCE of 8.47% with the extraordinarily high Js...

High‐Performance Non‐Fullerene Organic Solar Cells Based on a Selenium‐Containing Polymer Donor and a Twisted Perylene Bisimide Acceptor

A novel polymer donor (PBDTS-Se) is designed to match with a non-fullerene acceptor (SdiPBI-S). The corresponding solar cells show a high efficiency of 8.22%, which result from synergetic improvements of light harvesting, charge carrier transport and collection, and morphology. The results indicate that rational design of novel donor materials is important for non-fullerene organic solar cells.