ArticleScience advances2022
Even a little delocalization produces large kinetic enhancements of charge-separation efficiency in organic photovoltaics.
Article in Science advances, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed.
- Synthesis and photovoltaic evaluation of fluorinated PTB7-Th derivatives in binary and ternary organic solar cells.RSC advances · 2026Article
- Synergistic Steric Hindrance and Chlorination Enable Efficient Binary Organic Solar Cells with Low Energy Loss.Nature communications · 2026Article
- Introducing 4-Methoxythiophene Side Chains into β-Functionalized Porphyrins to Enhance Their Photovoltaic Performance.ChemSusChem · 2026Article
- Correlated solvent coordinates accelerate multi-donor proton-coupled electron transfer.Chemical science · 2026Article
- Transiently delocalised hybrid quantum states are gateways for efficient exciton dissociation at organic donor-acceptor interfaces.Nature communications · 2025Article
- Article
- Review
- Delocalisation enables efficient charge generation in organic photovoltaics, even with little to no energetic offset.Chemical science · 2024Article
- Missing Excitons: How Energy Transfer Competes with Free Charge Generation in Dilute-Donor/Acceptor Systems.ACS energy letters · 2024Article
- Photogenerated outer electric field induced electrophoresis of organic nanocrystals for effective solid-solid photocatalysis.Nature communications · 2024Article
- Large Coherent States Formed from DisorderedEntropy (Basel, Switzerland) · 2023Article
- Hydrogen Bond-Induced Activation of Photocatalytic and Piezophotocatalytic Properties in Calcium Nitrate Doped Electrospun PVDF Fibers.Polymers · 2023Article
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Authors and funding
2 authors.
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Abstract
In organic photovoltaics, charges can separate efficiently even if their Coulomb attraction is an order of magnitude greater than the available thermal energy. Delocalization has been suggested to explain this fact, because it could increase the initial separation of charges in the charge-transfer (CT) state, reducing their attraction. However, understanding the mechanism requires a kinetic model of delocalized charge separation, which has proven difficult because it involves tracking the correlated quantum-mechanical motion of the electron and the hole in large simulation boxes required for disordered materials. Here, we report the first three-dimensional simulations of charge-separation dynamics in the presence of disorder, delocalization, and polaron formation, finding that even slight delocalization, across less than two molecules, can substantially enhance the charge-separation efficiency, even starting with thermalized CT states. Delocalization does not enhance efficiency by reducing the Coulomb attraction; instead, the enhancement is a kinetic effect produced by the increased overlap of electronic states.
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