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Organic solar cells (OSCs) efficiency is boosted by reducing non-radiative energy loss. Intra-moiety excitation (i-EX) pathways, regulated by halogen substitution, minimize energy loss and enhance charge generation.

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Area of Science:

  • Materials Science
  • Photovoltaics
  • Organic Electronics

Background:

  • Non-radiative energy loss limits organic solar cell (OSC) efficiency.
  • Charge-transfer (CT) states are prone to non-radiative recombination, hindering performance.
  • Intra-moiety excitation (i-EX) offers an alternative pathway to reduce CT-mediated energy loss.

Purpose of the Study:

  • To investigate the molecular regulation of i-EX pathways in OSCs.
  • To clarify the photophysical characteristics of i-EX-mediated charge generation.
  • To establish structure-property relationships for minimizing energy loss in OSCs.

Main Methods:

  • Systematic halogen substitution on acceptor molecules.
  • Analysis of competition between CT and i-EX charge generation pathways.
  • Investigation of photophysical properties including spin-triplet recombination and electron-phonon coupling.

Main Results:

  • Increasing halogen atomic number (F to I) enhances i-EX formation and suppresses CT pathways.
  • Reduced CT involvement diminishes spin-triplet recombination and non-radiative energy loss.
  • Heavier halogens stabilize delocalized excitations, enabling efficient i-EX charge generation at room temperature.

Conclusions:

  • Halogen substitution effectively regulates i-EX and CT pathways for improved OSC performance.
  • Optimized balance leads to significant reductions in non-radiative energy loss.
  • Achieved power conversion efficiencies of 20.3% (binary) and over 21% (ternary) OSCs.