articleThe Journal of Physical Chemistry LettersJan 6, 2026Closed access

Natural Photosensitizer for Regulating Organic Solar Cells: Coupling Mechanisms of Intermolecular Interactions and Energy-Charge Transfer

KZKaiyan ZhangMGMeilin GuoYSYing ShiLWLin WangPHPeng Han

Division of Materials Science and Engineering · Northeast Forestry University · +4 more institutions

PubMed
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Abstract

With the expanding application of eco-friendly natural photosensitizers in photovoltaics, thoroughly investigating energy and charge transfer mechanisms is crucial for enhancing the performance of chlorophyll-based devices. Here, we employed quantum chemistry and spectroscopy to explore hybrid systems comprising a sodium zinc chlorophyll (SZC) donor paired with nonfullerene acceptors in various configurations. The L8-BO acceptor demonstrated superior energy level alignment, complementary light absorption, and larger electrostatic potential differences when interacting with SZC, thereby strengthening intermolecular interactions and improving optoelectronic performance. Steady-state optical studies revealed the…

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6
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55.53
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100%
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92
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Topics & keywords

Topics
Keywords
  • Intermolecular force
  • Exciton
  • Stacking
  • Förster resonance energy transfer
  • Organic solar cell
  • Acceptor
  • Dissociation (chemistry)
  • Photosensitizer
UN Sustainable Development Goals
  • Affordable and clean energy
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