Design strategies for metal-organic frameworks selectively capturing harmful gases

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 (NH3, CO, H2S, NOx, SOx, 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. (C) 2017 Elsevier B.V. All rights reserved.