High and Selective Carbon Dioxide Capture in Nitrogen-Containing Aerogels via Synergistic Effects of Electrostatic In-Plane and Dispersive π–π-Stacking Interactions

A new strategy for CO₂ capture is reported based on the synergistic effect of electrostatic in-plane and dispersive π-π-stacking interactions of amide and indole with CO₂. Density functional theory illustrated that the amide group can have an increased ability to capture CO₂ molecules that were just desorbed from an adjacent indole unit. We used this strategy to fabricate a microporous aerogel that exhibited a superior CO₂ capture performance in both dry and wet conditions. The proposed synergistic effect is expected to be a new rationale for the design of CO₂ capture materials.