Impact of the Bonding Sites at the Inner or Outer π-Bridged Positions for Non-Fullerene Acceptors

Shouli Ming; Cai'e Zhang; Pengcheng Jiang; Qinglin Jiang; Zaifei Ma; Jinsheng Song; Zhishan Bo

doi:10.1021/acsami.9b02964

Impact of the Bonding Sites at the Inner or Outer π-Bridged Positions for Non-Fullerene Acceptors

ACS Appl Mater Interfaces. 2019 May 29;11(21):19444-19451. doi: 10.1021/acsami.9b02964. Epub 2019 May 15.

Authors

Shouli Ming¹, Cai'e Zhang¹, Pengcheng Jiang¹, Qinglin Jiang², Zaifei Ma³, Jinsheng Song⁴, Zhishan Bo¹

Affiliations

¹ Beijing Key Laboratory of Energy Conversion and Storage Materials, College of Chemistry , Beijing Normal University , Beijing 100875 , China.
² College of Chemistry and Molecular Engineering , Qingdao University of Science & Technology , Qingdao 266042 , China.
³ Center for Advanced Low-Dimension Materials, State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Materials Science and Engineering , Donghua University , Shanghai 201620 , China.
⁴ Engineering Research Center for Nanomaterials , Henan University , Kaifeng 475004 , China.

PMID: 31060351
DOI: 10.1021/acsami.9b02964

Abstract

Two A-π-D-π-A-type non-fullerene acceptors (IDT-T_oFIC and IDT-T_iFIC) with 5-hexylthienyl chains substituted at the inner and outer β-positions of the thiophene π-bridge have been designed, respectively. Impacts of varied positional modifications are systematically studied. By utilizing PBDB-T as the donor, polymer solar cells are constructed with these two molecules as acceptors. Power conversion efficiencies of 11.09 and 9.46% are acquired for IDT-T_oFIC- and IDT-T_iFIC-based devices, respectively. Our studies have demonstrated that the use of thiophene spacers carrying one conjugated side chain at different positions can markedly enhance the photovoltaic properties relative to the corresponding control molecule IDTT2F.

Keywords: and quantum calculation; conjugated lateral chains; non-fullerene acceptors; polymer solar cells; steric effect.