A Wide Bandgap Acceptor with Large Dielectric Constant and High Electrostatic Potential Values for Efficient Organic Photovoltaic Cells

Jingwen Wang; Yong Cui; Zhihao Chen; Jianqi Zhang; Yang Xiao; Tao Zhang; Wenxuan Wang; Ye Xu; Ni Yang; Huifeng Yao; Xiao-Tao Hao; Zhixiang Wei; Jianhui Hou

doi:10.1021/jacs.3c01634

A Wide Bandgap Acceptor with Large Dielectric Constant and High Electrostatic Potential Values for Efficient Organic Photovoltaic Cells

J Am Chem Soc. 2023 Jun 28;145(25):13686-13695. doi: 10.1021/jacs.3c01634. Epub 2023 Jun 13.

Authors

Jingwen Wang^{1

2}, Yong Cui¹, Zhihao Chen¹, Jianqi Zhang³, Yang Xiao^{1

2}, Tao Zhang^{1

2}, Wenxuan Wang^{1

2}, Ye Xu¹, Ni Yang^{1

2}, Huifeng Yao¹, Xiao-Tao Hao⁴, Zhixiang Wei³, Jianhui Hou^{1

2}

Affiliations

¹ State Key Laboratory of Polymer Physics and Chemistry, Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China.
² University of Chinese Academy of Sciences, Beijing 100049, China.
³ Key Laboratory of Nanosystem and Hierarchical Fabrication, National Center for Nanoscience and Technology, Beijing 100190, China.
⁴ School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan, Shandong 250100, P. R. China.

PMID: 37311087
DOI: 10.1021/jacs.3c01634

Abstract

Low-bandgap materials have achieved rapid development and promoted the enhancement of power conversion efficiencies (PCEs) of organic photovoltaic (OPV) cells. However, the design of wide-bandgap non-fullerene acceptors (WBG-NFAs), required by indoor applications and tandem cells, has been lagging far behind the development of OPV technologies. Here, we designed and synthesized two NFAs named ITCC-Cl and TIDC-Cl by finely optimizing ITCC. In contrast with ITCC and ITCC-Cl, TIDC-Cl can maintain a wider bandgap and a higher electrostatic potential simultaneously. When blending with the donor PB2, the highest dielectric constant is also obtained in TIDC-Cl-based films, enabling efficient charge generation. Therefore, the PB2:TIDC-Cl-based cell possessed a high PCE of 13.8% with an excellent fill factor (FF) of 78.2% under the air mass 1.5G (AM 1.5G) condition. Furthermore, an exciting PCE of 27.1% can be accomplished in the PB2:TIDC-Cl system under the illumination of 500 lux (2700 K light-emitting diode). Combined with the theoretical simulation, the tandem OPV cell based on TIDC-Cl was fabricated and exhibited an excellent PCE of 20.0%.