Enhanced early‐stage adsorption of chemical warfare agent simulant by MIL‐68‐(X%OH)

Abstract The development of porous adsorbents for removing hazardous chemicals is of paramount significance in mitigating the risks posed by these substances. Among these hazardous chemicals, chemical warfare agents (CWAs) are of primary concern due to their significant threat. Here, we report the development of porous metal–organic framework‐based adsorbents designed to efficiently adsorb CWA simulant, particularly during the early stages of exposure. We selected MIL‐68, which has a rigid Kagomé structure, as a model system for investigating the adsorption of 2‐chloroethyl ethyl sulfide (CEES). The introduction of a dangling hydroxyl (OH) group within the MIL‐68 framework significantly enhances CEES adsorption during the early stages of exposure to CEES vapors. However, it is crucial to note that an excessive presence of dangling OH groups can negatively impact adsorption ability. Therefore, it is imperative to carefully control the amount of dangling OH groups introduced into the MIL‐68 framework to optimize CEES adsorption performance.