Perovskite Single Crystals via Vapor Diffusion

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Solution Overview

Problem

Current methods for producing organometallic halide perovskite single crystals face challenges in achieving high crystallinity and low defect densities, limiting the efficiency of perovskite solar cells due to the difficulty in growing large, high-quality single crystals with long charge-carrier diffusion lengths.

Innovation Solution

A method involving vapor diffusion-assisted crystallization is employed, using separate reservoirs for precursors and an antisolvent to grow sizable, crack-free organometallic halide perovskite single crystals with controlled dimensions and low trap-state densities, resulting in crystals with dimensions up to 8 mm and trap-state densities around 1×10^10 cm^-3, enhancing charge-carrier mobility and diffusion lengths.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Manufacturing precision

If conventional solution processing methods are used to grow perovskite crystals, then the process is simple and fast, but the crystallinity is poor and defect density is high

Engineering Contradiction:
ImprovecrystallinityVSAvoidprocess complexity
Core Design Contradiction:
Manufacturing precisionVSDevice complexity

Solution Approach 1:

The crystallization process is divided into two separate reservoirs: one containing the perovskite precursor solution and another containing the antisolvent. This segmentation allows independent control of crystallization conditions and enables high-quality single crystal growth through controlled vapor diffusion, resolving the contradiction between manufacturing precision and process complexity.

Inventive Principle:
Principle #1Segmentation

Solution Approach 2:

Vapor diffusion serves as an intermediary mechanism between the two reservoirs, allowing controlled mass transport of the antisolvent into the precursor solution. This intermediary process enables gradual crystallization that achieves high crystallinity while maintaining a relatively simple overall setup, thus resolving the technical contradiction.

Inventive Principle:
Principle #24Intermediary (Mediator)

2Productivity

If rapid crystallization is used to increase productivity, then crystal growth speed increases, but defect density increases and crystal quality decreases

Engineering Contradiction:
Improvecrystal growth speedVSAvoiddefect density
Core Design Contradiction:
ProductivityVSReliability

Solution Approach 1:

The crystallization process utilizes dynamic vapor diffusion where the antisolvent concentration in the precursor solution evolves over time. This dynamic control allows the system to maintain optimal crystallization conditions throughout the process, achieving both high productivity and low defect density by adapting the crystallization rate as the process progresses.

Inventive Principle:
Principle #15Dynamics

Solution Approach 2:

The system changes physical parameters (solvent composition, concentration, temperature) during the crystallization process through controlled vapor diffusion. This parameter evolution enables the system to transition from rapid initial crystal formation to slower defect-healing stages, simultaneously achieving high productivity and low defect density.

Inventive Principle:
Principle #35Parameter changes

3Length of moving object

If large single crystals are grown to increase diffusion length, then charge carrier diffusion length increases, but the risk of cracks and defects increases

Engineering Contradiction:
Improvediffusion lengthVSAvoidcrack-free quality
Core Design Contradiction:
Length of moving objectVSReliability

Solution Approach 1:

The method utilizes controlled phase transitions during vapor diffusion crystallization, where the perovskite forms from solution through a controlled solidification process. This phase transition approach enables growth of large single crystals with internal structural integrity, achieving long diffusion lengths without cracks or defects.

Inventive Principle:
Principle #36Phase transitions

Solution Approach 2:

The vapor diffusion process provides beforehand cushioning by gradually introducing the antisolvent to control crystallization kinetics. This gradual process prevents rapid stress accumulation that would cause cracks, enabling growth of large defect-free single crystals with long diffusion lengths.

Inventive Principle:
Principle #11Beforehand cushioning (Prior cushioning)

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 approach enables the production of high-quality single crystals with exceptionally low trap-state densities and long charge-carrier diffusion lengths, significantly improving the performance of perovskite solar cells by increasing charge transport efficiency and photocurrent generation.

Implementation Method 1

allowing for vapor diffusion of the second liquid into the first liquid to form a modified first liquid

Methodology Applied
Scientific EffectVapor diffusion: Diffusion

Implementation Method 2

precipitating out an organometallic halide perovskite single crystal in the first reservoir

Methodology Applied
Scientific EffectPrecipitation: Precipitation

Data Source

PatentUS10483046B2Organometallic halide perovskite single crystals having low defect density and methods of preparation thereof
Publication Date: 2019.11.19 KING ABDULLAH UNIV OF SCI & TECH
  • US10483046B2 patent drawing
  • US10483046B2 patent drawing
  • US10483046B2 patent drawing

AI summary

Embodiments of the present disclosure provide for single crystal organometallic halide perovskites, methods of making, methods of use, devices incorporating single crystal organometallic halide perovskites, and the like.