Abstract:Carbon capture and storage (CCS) is a key strategy for reducing atmospheric CO2 concentrations and stabilising global temperatures. Based on the low atmospheric CO2 concentration (about 0.415 ‰), the high energy (21 kJ/mol) required for the adsorption process, and the huge economic investment (at least 10 Gt of CO2 will need to be captured annually by 2050), the development of adsorbents with high selectivity for CO2 adsorption, structural stability, and low cost is of great significance. Small molecule adsorbents show good application prospects in CO2 capture due to their excellent CO2 uptake rate, low desorption temperature (below 120°C) and low cost. In this paper, we review the research progress of small molecule adsorbents for direct CO2 uptake from air in recent years, focusing on the design and application of some typical supramolecular-body adsorbents, such as the molecular structures of adsorbents with different shapes, such as linear, dobby, ring, and cage shapes. These small molecule adsorbents usually include hydrogen bond donor units such as ureido, thiourea, and guanidino groups, which enable carbon dioxide fixation through their hydrogen bonding interactions with HCO3/CO3 ions.