A High-Throughput Approach to Identifying Environment-Friendly Artificial Antisolvents for Efficient Perovskite Solar...

Area of Science:

• Materials Science
• Chemical Engineering
• Optoelectronics

Background:

• Rapid crystallization using antisolvents is key for high-quality perovskite films.
• Conventional solvents pose toxicity and limited-variety challenges for sustainable, large-scale production.

Purpose of the Study:

• To systematically screen antisolvents for perovskite film formation.
• To establish a design rule for environmentally friendly solvent systems.
• To enable sustainable production of perovskite optoelectronics.

Main Methods:

• High-throughput screening of over 40 antisolvents.
• Correlation analysis between antisolvent properties in Hansen solubility space and perovskite film characteristics.
• Construction of a Hansen solubility sphere to define optimal antisolvent regions.
• Mechanism elucidation of antisolvent effects on N,N-dimethylformamide (DMF) extraction and crystallization.

Main Results:

• A significant correlation was found between Hansen solubility parameters and perovskite film quality.
• An optimal Hansen solubility region was identified for high-quality perovskite film formation.
• Antisolvents outside the optimal region led to insufficient DMF extraction or overly rapid DMF extraction, hindering grain growth.
• No single ideal low-toxicity antisolvent was identified, prompting the development of solvent combinations.

Conclusions:

• A design rule for eco-friendly "artificial" solvents based on solvent combinations was developed.
• This approach, validated for various perovskite compositions, facilitates sustainable development of perovskite optoelectronics.
• The findings address limitations of conventional solvents and promote greener manufacturing processes.