Effect of Arylmethylene Substitutions on Molecular Structure, Optoelectronic Properties and Photovoltaic Performance of Dithienocyclopentafluorene‐Based Small‐Molecule Acceptors. Issue 58 (24th September 2021)

• Record Type: Journal Article
• Authors: Tang, Xuejiao; Liao, Haitao; Zheng, Tao; Yin, Pan; Cao, Jing; Zeng, Xiaoying; Weng, Chao; Shen, Ping
• Is Part Of: Chemistry. Volume 27:Issue 58(2021)
• Page Start: 14508
• Page End: 14519
• Publication Date: 2021-09-24
• Subjects: DFT calculations -- dithienocyclopentafluorene -- photovoltaics -- small-molecule acceptors -- solar cells; Chemistry -- Periodicals; 540
• DOI: 10.1002/chem.202102252
• Languages: English
• ISSNs: 0947-6539

Abstract

Abstract: Two dithienocyclopentafluorene‐based small‐molecule acceptors (SMAs) were developed that feature methylene‐functionalized conjugated side chains, to study the effect of arylmethylene substitution and its number on structure, optoelectronic properties and device performance. Results showed that two SMAs have better absorption properties and planarity, lower bandgaps and higher LUMOs compared with the control SMA without conjugated side chains. The synthesized SMAs were tested in polymer solar cells for examples of their applicability. This work argues that the introduction of methylene‐functionalized conjugated side chains has great potential in tuning molecular structure, optoelectronic properties, device physics and photovoltaic performance of SMAs. Abstract : Arylmethylene‐functionalized conjugated side chains : Two dithienocyclopentafluorene‐based small‐molecule acceptors (SMAs) featuring methylene‐functionalized conjugated side chains have been developed to systemically investigate the impact of arylmethylene substitution and its number on molecular structure, optoelectronic properties and photovoltaic performance. Better light‐harvesting properties and molecular planarity, lower bandgaps and higher LUMO levels are achieved, enabling improvements in device efficiency both for halogenated and non‐halogenated processing solvents.