Design strategies for metal-organic frameworks selectively capturing harmful gases

Abstract Metal-organic frameworks (MOFs) have attracted a special attention to the selective capture of harmful gases from air, owing to the presence of a high density of active surfaces that can be tailored by an appropriate modification. In this paper, recent studies on appropriate approaches for the selective capture of harmful gases (NH 3 , CO, H 2 S, NO x , SO x , Cl 2 , etc.) performed via experimental and computational methods are comprehensively reviewed with the aim of establishing well-designed strategies for the specific tasks. Three primary conclusions regarding the design strategy of MOFs are highlighted from the reviewed studies: the introduction of appropriate open metal sites for the selective capture of polar harmful gases, inefficiency of open metal sites introduced for the selective capture of non-polar harmful gases, and introduction of appropriate surface functionality for individual harmful gas. It is believed that the review will play a critical role in designing promising MOFs with appropriate surface chemistry for the selective capture of harmful gases from air.