Intramolecular Chloro–Sulfur Interaction and Asymmetric Side-Chain Isomerization to Balance Crystallinity and Miscibility in All-Small-Molecule Solar Cells

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

3 Scopus Citations
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Author(s)

  • Wei Gao
  • Mengyun Jiang
  • Ziang Wu
  • Baobing Fan
  • Wenlin Jiang
  • Ning Cai
  • Hua Xie
  • Francis R. Lin
  • Qiaoshi An
  • Han Young Woo

Detail(s)

Original languageEnglish
Article numbere202205168
Journal / PublicationAngewandte Chemie - International Edition
Volume61
Issue number33
Online published23 Jun 2022
Publication statusPublished - 15 Aug 2022

Abstract

Intramolecular Cl−S non-covalent interaction is introduced to modify molecular backbone of a benzodithiophene terthiophene rhodamine (BTR) benchmark structure, helping planarize and rigidify the molecular framework for improving charge transport. Theoretical simulations and temperature-variable NMR experiments clearly validate the existence of Cl−S non-covalent interaction in two designed chlorinated donors and explain its important role in enhancing planarity and rigidity of the molecules for enhancing their crystallinity. The asymmetric isomerization of side-chains further optimizes the molecular orientation and surface energy to strike a balance between its crystallinity and miscibility. This carefully manipulated molecular design helps result in increased carrier mobility and suppressed charge recombination to obtain simultaneously enhanced short-circuit current (Jsc) and fill factor (FF) and a very high efficiency of 15.73 % in binary all-small-molecule organic solar cells.

Research Area(s)

  • Crystallinity, Intramolecular Interaction, Miscibility, Small Molecule Donors, Solar Cells

Citation Format(s)

Intramolecular Chloro–Sulfur Interaction and Asymmetric Side-Chain Isomerization to Balance Crystallinity and Miscibility in All-Small-Molecule Solar Cells. / Gao, Wei; Jiang, Mengyun; Wu, Ziang et al.

In: Angewandte Chemie - International Edition, Vol. 61, No. 33, e202205168, 15.08.2022.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review