Modified Non-Fullerene Acceptors for Stable OPVs

Resolve Bottlenecks,
Find Innovative Solutions
Generate Solutions

Solution Overview

Problem

Organic photovoltaic cells (OPVs) face challenges due to impurities that affect their performance and operational lifetime, particularly from end-capping exchange reactions between non-fullerene acceptors (NFAs) during material blending, leading to reduced power conversion efficiency and stability.

Innovation Solution

Designing NFAs with reduced reactivity of the β-carbon in exocyclic vinyl double bonds and controlling the blending process to suppress end-capping exchange reactions, using ultra-high-quality anhydrous solvents, and incorporating C70 and IC-SAM buffer layers to prevent chemical changes at organic/inorganic interfaces.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Productivity

If non-fullerene acceptors are used to improve power conversion efficiency, then PCE increases from 10% to over 17%, but end-capping exchange reactions occur during blending leading to reduced stability and lifetime

Engineering Contradiction:
Improvepower conversion efficiencyVSAvoidoperational lifetime
Core Design Contradiction:
ProductivityVSReliability

Solution Approach 1:

The patent modifies the chemical structure of non-fullerene acceptors by changing the substituents at the β-carbon positions of exocyclic vinyl double bonds. By replacing reactive hydrogen atoms with less reactive groups (such as fluorine, chlorine, or alkyl groups), the reactivity parameter of the β-carbon is altered to suppress end-capping exchange reactions while maintaining high power conversion efficiency above 17%.

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The patent applies local quality modification by specifically targeting the β-carbon positions in the NFA molecular structure. Instead of modifying the entire molecule, only the reactive end-capping groups at specific locations are altered to reduce their reactivity toward exchange reactions, thereby improving stability without compromising overall device performance.

Inventive Principle:
Principle #3Local quality

2Adaptability or versatility

If material blending is performed to create ternary blend OPVs, then spectral coverage and efficiency are improved, but end-capping exchange reactions between NFAs occur leading to formation of dipolar reaction products

Engineering Contradiction:
Improvespectral coverageVSAvoiddipolar reaction products
Core Design Contradiction:
Adaptability or versatilityVSObject-generated harmful factors

Solution Approach 1:

The patent applies preliminary anti-action by pre-modifying the NFA structures with less reactive end-capping groups before the blending process. This preventive modification stops the harmful end-capping exchange reactions from occurring during ternary blend fabrication, allowing materials to be blended for improved spectral coverage without generating dipolar reaction products that would harm device performance.

Inventive Principle:
Principle #9Preliminary anti-action

3Reliability

If high purity source materials are used to improve device reliability, then operational lifetime increases, but material cost and synthesis complexity increase

Engineering Contradiction:
Improveoperational lifetimeVSAvoidsynthesis complexity
Core Design Contradiction:
ReliabilityVSDevice complexity

Solution Approach 1:

The patent implements preliminary action by incorporating stability-enhancing structural features directly into the NFA synthesis stage. By designing NFAs with less reactive end-capping groups from the outset, the materials inherently resist degradation during device operation and processing, achieving high reliability without requiring additional complex purification steps or specialized handling procedures.

Inventive Principle:
Principle #10Preliminary action

Applied Scientific Principles

This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.

Function Achieved in This Case

Enhances the stability and reproducibility of ternary blend OPVs by minimizing the formation of dipolar reaction products, maintaining high power conversion efficiency and extending operational lifetime under illumination.

Implementation Method 1

incorporating C70 and IC-SAM buffer layers to prevent chemical changes at organic/inorganic interfaces

Methodology Applied
Scientific EffectPhysical barrier:

Implementation Method 2

Designing NFAs with reduced reactivity of the β-carbon in exocyclic vinyl double bonds and controlling the blending process to suppress end-capping exchange reactions

Methodology Applied
Scientific EffectChemical reactivity reduction:

Data Source

PatentEP4383990A1Materials for optoelectronic applications
Publication Date: 2024.06.12 THE RGT UNIV OF MICHIGAN
  • EP4383990A1 patent drawingFigure 1
  • EP4383990A1 patent drawingFigure 2
  • EP4383990A1 patent drawingFigure 3

AI summary

Provided are compounds of Formula I. Also provided are formulations comprising these compounds. Further provided are optoelectronic devices that utilize these compounds.