Recently, research on direct air capture (DAC) has attracted much attention because it can remove CO₂ directly from the air, making it a powerful tool for reversing the impacts of climate change on a global scale. Developing cost-effective adsorbents with high CO₂ capacity, rapid kinetics, and strong sorption-desorption stability is essential for scaling up the DAC process.

Studies on amine-grafted layered double hydroxides for DAC of CO₂ exhibited that amine-functionalized LDHs are promising for DAC due to their ability to selectively capture CO₂ from low-concentration sources, such as ambient air. However, challenges remain in further enhancing adsorption capacity, reducing desorption energy, and ensuring long-term stability under variable environmental conditions. The current research will employ density functional theory (DFT) calculation to optimize the amine-grafting process to maximize CO₂ adsorption capacity and improve material stability. 

This work has the potential to contribute directly to Alberta’s climate action goals, industrial sustainability, and economic diversification, helping establish the province as a leader in DAC technologies.