Materials process informatics-assisted precise particle size control of metal–organic frameworks
Abstract
) of 0.90 on the test set. Furthermore, SHapley Additive exPlanations (SHAP) analysis identified the precursor concentration ratio and reaction time as the most influential parameters governing particle size. Experimental validation using an automated synthesis platform showed excellent agreement between predicted and measured particle sizes, confirming the model's robustness and predictive reliability. Overall, the proposed framework enables intelligent synthesis optimization and targeted experimental design, thereby providing a practical route toward controllable MOF synthesis. This work demonstrates how materials process informatics can shift MOF particle-size engineering from empirical optimization toward data-driven design, offering a broadly applicable strategy for advanced materials synthesis.
Fields of Study & Subjects
Metal-Organic Frameworks: Synthesis and Applications
Zeolite Catalysis and Synthesis
Mesoporous Materials and Catalysis
Publication details
- Journal / source
- Chemical Science
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 17
- Issue
- 31
- Pages
- 15034–15043
- Publication date
- 1 January 2026
- Language
- EN