The study aims to design and evaluate zinc single-atom catalysts within organic frameworks for enhanced catalytic performance.
Computational modeling techniques were employed to design zinc single-atom catalysts.
Various configurations in organic frameworks were tested for catalytic efficiency.
Performance metrics were analyzed to determine the optimal design.
Identified several zinc single-atom configurations with enhanced catalytic activity.
Showed that lantern organic frameworks significantly improve stability and reactivity of catalysts.
Abstract
The cover image is based on the article Computational Design of Zinc Single-Atom Catalysts in Lantern Organic Framework by Lam Nguyen and Thanh Truong, https://doi.org/10.1002/jcc.70404 . image