Polycyclic NFA Semiconductors for Soluble Stable OE Devices
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Solution Overview
Problem
Existing organic semiconducting materials for organic electronic devices face challenges such as difficulty in synthesis, poor processability, limited solubility in organic solvents, unfavorable morphology, and instability, which affect device performance and efficiency.
Innovation Solution
Development of novel non-fullerene acceptor (NFA) compounds with a polycyclic core and electron-withdrawing terminal groups, offering improved solubility, stability, and charge carrier mobility, suitable for mass production and use in organic photovoltaic, perovskite-based solar cell, organic photodetector, and organic field effect transistor devices.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If fullerenes or fullerene derivatives are used as electron acceptors in OPV or OPD devices, then electron acceptance function is achieved, but synthesis and purification difficulty increases and light absorption in near IR spectrum is limited
Solution Approach 1:
The patent modifies the molecular structure of electron acceptors by replacing traditional fullerene cores with non-fullerene polycyclic structures (such as indacenodithiophene, benzodithiophene, and other fused ring systems). This structural parameter change enables easier synthesis and purification while maintaining electron acceptance functionality and extending light absorption into the near-IR region through adjusted HOMO-LUMO energy levels.
Solution Approach 2:
The invention creates composite electron acceptor molecules by combining electron-withdrawing terminal groups (such as cyano, carbonyl, or fluorinated aromatic groups) with conjugated polycyclic core structures. This composite approach allows optimization of multiple properties simultaneously: synthetic accessibility, light absorption spectrum, electron mobility, and compatibility with donor materials in bulk heterojunction morphologies.
2Reliability
If conventional OSC materials are used, then device function is achieved, but solubility in organic solvents is poor and processability is limited
Solution Approach 1:
The patent introduces solubilizing groups (such as alkoxy chains, alkyl chains, or aromatic substituents) at specific locations on the electron acceptor molecules, particularly at terminal positions or on peripheral rings. This local modification maintains the core electron-accepting functionality while adding regions that enhance solubility in common organic solvents like chloroform, chlorobenzene, or o-dichlorobenzene, enabling solution processing techniques.
3Ease of operation
If OSC materials are used in OE devices, then device operation is achieved, but stability and lifetime are reduced due to oxidation
Solution Approach 1:
The patent designs electron acceptors with extended conjugated polycyclic systems that raise the HOMO energy level, thereby reducing the thermodynamic driving force for oxidation. The use of fully conjugated, planar structures with delocalized electrons creates a more stable electronic configuration that resists oxidative degradation, improving device lifetime while maintaining operational performance.
4Ease of operation
If charge carrier mobility is increased for better OFET performance, then device performance improves, but material stability to oxidation decreases
Solution Approach 1:
The invention creates a balanced composite structure where the polycyclic core provides high charge carrier mobility through efficient π-π stacking and delocalization, while terminal electron-withdrawing groups and peripheral substituents provide oxidative stability by lowering the HOMO level. This composite design achieves both high mobility (>10^-3 cm²V⁻¹s⁻¹) and oxidation resistance simultaneously.
Data Source
AI summary
The invention relates to novel organic semiconducting compounds containing a polycyclic unit, to methods for their preparation and educts or intermediates used therein, to compositions, polymer blends and formulations containing them, to the use of the compounds, compositions and polymer blends as organic semiconductors in, or for the preparation of, organic electronic (OE) devices, especially organic photovoltaic (OPV) devices, perovskite-based solar cell (PSC) devices, organic photodetectors (OPD), organic field effect transistors (OFET) and organic light emitting diodes (OLED), and to OE, OPV, PSC, OPD, OFET and OLED devices comprising these compounds, compositions or polymer blends.