Fused Aromatic Conjugated Polymers for OPV Charge Mobility
Find Innovative SolutionsGenerate Solutions
Solution Overview
Problem
Current organic semiconducting polymers for OPV and OPD devices have limitations such as high reorganization energy, suboptimal π-stacking, and low charge carrier mobility, which restrict their efficiency and stability, particularly due to the small size of the conjugated system and poor solubility in organic solvents.
Innovation Solution
Development of conjugated polymers with units based on dithieno[3,2-c;2',3'-e]azepine-4,6-dione fused with additional aromatic rings, which enhance π-π contacts, reduce reorganization energy, and improve solubility, allowing for better processability and charge transport properties.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Ease of manufacture
If polymers with small conjugated systems are used, then synthesis is simpler, but charge carrier mobility is lower and reorganization energy is higher
Solution Approach 1:
The patent extends the conjugated system from small linear structures to large two-dimensional fused aromatic systems (triphenylene, pyrene, perylene cores with surrounding benzene rings). This dimensional expansion increases the effective conjugation area, reducing reorganization energy and enhancing charge carrier mobility while maintaining synthetic feasibility through modular construction from smaller precursors
Solution Approach 2:
The patent creates composite molecular structures combining electron-deficient core units (triphenylene, pyrene, perylene) with electron-rich peripheral aromatic rings. This composite approach within the polymer backbone optimizes both electronic properties for charge transport and structural organization, achieving high charge carrier mobility without sacrificing synthesis simplicity
2Ease of manufacture
If polymers with small conjugated systems are used, then synthesis is easier, but π-stacking ability is suboptimal
Solution Approach 1:
The patent transitions from one-dimensional linear conjugation to two-dimensional extended aromatic systems with fused benzene rings arranged in planar configurations. This dimensional change enhances π-orbital overlap in the solid state, promoting superior π-stacking and molecular organization while maintaining synthetic accessibility through stepwise assembly of aromatic building blocks
3Ease of manufacture
If conventional polymers are used, then processability is limited, but solution processing capability is poor
Solution Approach 1:
The patent introduces localized alkyl substituent groups (such as octyl, hexyl, or butyl chains) at specific positions on the aromatic core structures. These local modifications provide steric bulk and hydrophobic character that enhance solubility in organic solvents without disrupting the extended π-conjugation system, enabling solution processing while maintaining electronic performance
4Stability of the object's composition
If bithiophene imide copolymers are used, then solid state order is improved, but hole mobility is lower
Solution Approach 1:
The patent changes key molecular parameters by replacing bithiophene imide units with extended fused aromatic systems featuring larger planar cores and adjusted electron deficiency. This parameter change in molecular structure reduces reorganization energy and enhances charge delocalization, improving hole mobility while preserving or enhancing solid-state molecular organization through optimized π-π stacking geometries
Data Source
AI summary
The invention relates to novel conjugated polymers containing one or more units based on dithieno[3,2-c;2',3'-e]azepine-4,6-dione that is fused to further aromatic rings, to methods for their preparation and educts or intermediates used therein, to polymer blends, mixtures and formulations containing them, to the use of the polymers, polymer blends, mixtures and formulations as organic semiconductors in, or for the preparation of, organic electronic (OE) devices, especially organic photovoltaic (OPV) devices and organic photodetectors (OPD), and to OE, OPV and OPD devices comprising, or being prepared from, these polymers, polymer blends, mixtures or formulations.