Ternary Polymer Donor Composition for Energy Level and Morphology Balance

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Solution Overview

Problem

Existing polymer donor materials in organic photovoltaic devices face challenges in achieving a balance between driving force and energy loss, often resulting in reduced fill factor (FF) and short-circuit current density (JSC) due to excessive molecular energy level adjustments using chlorination, which disrupts polymer morphology.

Innovation Solution

A ternary polymer donor material is synthesized through a Stille cross-coupling reaction, incorporating varying proportions of chlorinated and fluorinated thiophene units, allowing for controlled molecular energy levels and improved compatibility, thereby balancing driving force and energy loss.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Loss of energy

If chlorination is used to adjust molecular energy levels of polymer donor materials, then the molecular energy levels are reduced effectively, but the large atomic radius of Cl atoms causes large steric hindrance that destroys planarity of conjugated polymers and affects morphology and photovoltaic performance

Engineering Contradiction:

Improvemolecular energy levelsVSAvoidplanarity of conjugated polymers

Core Design Contradiction:

Loss of energyVSShape

Solution Approach 1:

The patent applies local quality by using fluorination at specific positions (alpha position) of the polymer chain rather than widespread chlorination. This localized modification allows energy level adjustment at key sites while preserving the planarity and conjugation of the main polymer backbone, thus resolving the contradiction between energy level reduction and structural integrity

Inventive Principle:

Principle #3Local quality

Solution Approach 2:

The patent employs composite materials by combining fluorinated and chlorinated units within the same polymer structure. This composite approach allows the benefits of both elements: fluorine provides effective energy level adjustment with minimal steric hindrance, while controlled chlorination contributes to molecular weight and morphology control, achieving a balance between energy level modification and structural preservation

Inventive Principle:

Principle #40Composite materials

2Shape

If fluorination is used to adjust molecular energy levels, then the polymer donor materials maintain good planarity and morphology, but the energy level reduction is less effective compared to chlorination

Engineering Contradiction:

Improveplanarity of conjugated polymersVSAvoidmolecular energy levels

Core Design Contradiction:

ShapeVSLoss of energy

Solution Approach 1:

The patent applies parameter changes by systematically varying the ratio of fluorinated to chlorinated units in the polymer structure. By adjusting this compositional parameter, the patent optimizes the balance between maintaining polymer planarity (favored by fluorination) and achieving effective energy level reduction (enhanced by chlorination), allowing fine-tuning of both structural and electronic properties

Inventive Principle:

Principle #35Parameter changes

3Power

If excessive chlorination is applied to reduce molecular energy levels, then the driving force for exciton diffusion is increased, but the fill factor and short-circuit current density are reduced due to destroyed polymer morphology

Engineering Contradiction:

Improvedriving force for exciton diffusionVSAvoidfill factor and short-circuit current density

Core Design Contradiction:

PowerVSProductivity

Solution Approach 1:

The patent applies partial action by using moderate, controlled amounts of chlorination rather than excessive chlorination. This partial approach provides sufficient driving force for exciton diffusion while avoiding the extreme effects of over-chlorination that would destroy polymer morphology and reduce device performance metrics like fill factor and short-circuit current density

Inventive Principle:

Principle #16Partial or excessive 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

The ternary polymer donor material enhances fill factor and short-circuit current density while increasing open-circuit voltage, resulting in improved photoelectric conversion efficiency and semiconductor performance.

Implementation Method 1

a preparation method of the ternary polymer donor material by Stille cross-coupling reaction of a compound (I), a compound (II) and a compound (III)

Methodology Applied

Scientific EffectStille cross-coupling reaction: Chemical Bonding

Data Source

PatentUS12479953B2Ternary polymer donor material, preparation method and application thereof

Publication Date: 2025.11.25 TAIZHOU HUIMO TECH CO LTD

AI summary

Disclosed are a ternary polymer donor material, a preparation method and application thereof. The ternary polymer donor material is prepared by Still cross-coupling reaction of chlorinated thiophene (BDT-2Cl), fluorinated thiophene (BDT-2F) and brominated thiophene (BDT-2Br). Terpolymer synthesized in the application is a ternary polymeric donor material based on synergistic effect of fluorine (F) and chlorine (Cl), molecular energy levels of the ternary polymeric donor material are effectively adjusted by controlling contents of the BDT-2Cl, thereby showing graded voltage change, and a balance between driving force and energy loss is achieved through the synergistic effect of the F and the Cl.