Organic Solar Cells Based on Non-fullerene Small-Molecule Acceptors: Impact of Substituent Position

Tonghui Wang, Jean Luc Brédas

Research output: Contribution to journalArticlepeer-review

20 Scopus citations

Abstract

In the active layers of organic solar cells, varying the positions of functional groups on the end groups of non-fullerene small-molecule acceptors is known to significantly influence the morphological and electronic properties of blends with polymer donors. Here, molecular dynamics simulations are combined with long-range corrected density functional theory calculations to provide a comprehensive molecular-scale understanding of the impact of the substitution position and to rationalize the evolution of photovoltaic device performance.

Original languageEnglish (US)
Pages (from-to)119-135
Number of pages17
JournalMatter
Volume2
Issue number1
DOIs
StatePublished - Jan 8 2020
Externally publishedYes

Keywords

  • MAP2: Benchmark
  • charge-transfer states
  • density functional theory calculations
  • exciton dissociation
  • intermolecular packing
  • molecular dynamics simulations
  • morphology
  • non-fullerene small-molecule acceptors
  • non-radiative recombination
  • organic solar cells
  • voltage loss

ASJC Scopus subject areas

  • Materials Science(all)

Fingerprint

Dive into the research topics of 'Organic Solar Cells Based on Non-fullerene Small-Molecule Acceptors: Impact of Substituent Position'. Together they form a unique fingerprint.

Cite this