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Highly Efficient Nonfullerene Acceptor with Sulfonyl-Based Ending Groups.

Lupiao Tao^1,2, Xiaohui Liu³, Changbo Deng¹

¹Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, China.

ACS Applied Materials & Interfaces

|October 26, 2020

Summary

This study introduces BTP-IS, a new nonfullerene acceptor (NFA) with sulfonyl ending groups, achieving a high power conversion efficiency (PCE) of 12.79% in organic solar cells. This demonstrates the critical role of ending groups in NFA design for improved performance.

Keywords:

molecule design nonfullerene acceptors organic solar cells synthesis

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Area of Science:

Materials Science
Organic Electronics
Photovoltaics

Background:

Ending groups are crucial for tuning the electronic properties of low-band gap nonfullerene acceptors (NFAs).
Understanding the impact of different ending groups is key to advancing organic solar cell (OSC) technology.

Purpose of the Study:

To synthesize and characterize a novel NFA, BTP-IS, utilizing sulfonyl-based ending groups.
To evaluate the performance of BTP-IS in organic solar cells and compare it with a ketone-based counterpart (BTP-IC).
To elucidate the structure-property relationships governing the performance of NFAs based on their ending groups.

Main Methods:

Synthesis of the novel nonfullerene acceptor, BTP-IS, featuring sulfonyl ending groups.
Fabrication and characterization of organic solar cells using BTP-IS as the acceptor and PM6 as the donor.
Spectroscopic analysis (absorption spectra) and energy level determination (lowest unoccupied molecular orbital).
Device performance testing, including power conversion efficiency (PCE), short circuit current (Jsc), and fill factor (FF).

Main Results:

BTP-IS exhibits a red-shifted absorption spectrum and a lower lowest unoccupied molecular orbital level compared to BTP-IC.
BTP-IS-based organic solar cells achieved a high power conversion efficiency (PCE) of 12.79%, significantly outperforming BTP-IC devices (7.54% PCE).
The enhanced performance is attributed to efficient charge transfer, balanced charge transport, and favorable photoactive morphology, leading to improved exciton dissociation and charge collection.

Conclusions:

Sulfonyl-based ending groups are effective in designing high-performance nonfullerene acceptors.
The BTP-IS NFA demonstrates significant potential for advancing organic solar cell efficiency.
This research highlights the strategic importance of ending group modification in the development of novel NFAs for next-generation organic photovoltaics.