Multi-Head-Group Hole Transport Layer for Stable Perovskite Interfaces

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Solution Overview

Problem

Existing hole transport materials in perovskite solar cells have low bonding strength with the positive electrode, leading to incomplete and unstable monomolecular film layers, which suppresses charge extraction and decreases photoelectric conversion efficiency.

Innovation Solution

An organic compound with multiple head groups, a tail group, and a carbon chain is used to enhance bonding strength and distribution uniformity, adjusting polarity to improve the completeness and stability of the monomolecular film layer, thereby enhancing the match between the electrode and perovskite layer energy levels.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Strength

If self-assembled molecules with single head group are used as hole transport material, then the device complexity is low and ease of manufacture is good, but the bonding strength with positive electrode is insufficient leading to incomplete and unstable monomolecular film layer

Engineering Contradiction:
Improvebonding strengthVSAvoidmolecular structure complexity
Core Design Contradiction:
StrengthVSDevice complexity

Solution Approach 1:

The organic compound is segmented into distinct functional regions: head groups (containing —SO3H, —PO(OH)2, or —COOH) that bond to the positive electrode, a carbon chain connecting the head groups to the tail group, and tail groups (aromatic or aromatic heterocyclic groups) that form the monomolecular film layer. This segmentation allows each part to perform its specific function optimally, resolving the contradiction between bonding strength and structural simplicity.

Inventive Principle:
Principle #1Segmentation

Solution Approach 2:

The invention uses composite molecular structure combining multiple functional groups (head groups with specific bonding capabilities, carbon chains for connection, and aromatic tail groups for film formation) into a single organic compound. This composite approach enhances bonding strength while maintaining the self-assembled monomolecular film layer, overcoming the limitation of simple single-group molecules.

Inventive Principle:
Principle #40Composite materials

2Reliability

If existing hole transport materials are used, then the manufacturing process is simple, but the monomolecular film layer is incomplete and easy to fall off resulting in poor charge extraction

Engineering Contradiction:
Improvefilm layer stabilityVSAvoidmanufacturing complexity
Core Design Contradiction:
ReliabilityVSEase of manufacture

Solution Approach 1:

The invention changes key molecular parameters: introducing multiple head groups with specific functional groups (—SO3H, —PO(OH)2, or —COOH) that enhance bonding to the positive electrode, optimizing the carbon chain length and structure, and selecting appropriate aromatic tail groups. These parameter changes improve film layer stability and charge extraction while maintaining compatibility with existing manufacturing processes.

Inventive Principle:
Principle #35Parameter changes

3Strength

If head groups with high bonding strength are introduced, then the bonding strength and film layer stability are improved, but the distribution uniformity on substrate may be affected

Engineering Contradiction:
Improvebonding strengthVSAvoiddistribution uniformity
Core Design Contradiction:
StrengthVSManufacturing precision

Solution Approach 1:

The organic compound exhibits local quality differentiation: head groups with high bonding strength concentrate at the interface with the positive electrode to ensure strong attachment, while the carbon chain and tail groups extend into the film layer to provide uniform distribution and proper packing. This spatial differentiation of molecular properties resolves the contradiction between bonding strength and distribution uniformity.

Inventive Principle:
Principle #3Local quality

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 organic compound significantly improves the bonding strength and stability of the monomolecular film layer, increasing the open-circuit voltage and photoelectric conversion efficiency of the perovskite solar cell by reducing energy loss and enhancing carrier extraction.

Implementation Method 1

the number of head groups of the organic compound in this embodiment of this application is increased to enhance bonding strength and a bonding volume of the organic compound for a substrate surface

Methodology Applied
Scientific EffectChemical bonding: Chemical Bonding

Implementation Method 2

improving completeness of a monomolecular film layer formed by the tail group contained in the organic compound in this embodiment of this application on the substrate surface

Methodology Applied
Scientific EffectSelf-assembly: Self-Assembly

Data Source

PatentUS20250366297A1Organic compound and preparation method thereof and use thereof
Publication Date: 2025.11.27 CONTEMPORARY AMPEREX FUTURE ENERGY RES INST (SHANGHAI) LTD
  • US20250366297A1 patent drawing
  • US20250366297A1 patent drawing
  • US20250366297A1 patent drawing

AI summary

An organic compound, a preparation method of the organic compound, a perovskite solar cell comprising a hole transport layer that comprises the organic compound, a preparation method of the perovskite solar cell, and an electric apparatus comprising the perovskite solar cell. The organic compound includes head groups, a tail group, and a carbon chain, where the carbon chain connects the head groups to the tail group, and there are at least two head groups.