Identification of CO2 adsorption sites on MgO nanosheets by solid-state nuclear magnetic resonance spectroscopy

The detailed information on the surface structure and binding sites of oxide nanomaterials is crucial to understand the adsorption and catalytic processes and thus the key to develop better materials for related applications. However, experimental methods to reveal this information remain scarce. Here we show that O-17 solid-state nuclear magnetic resonance (NMR) spectroscopy can be used to identify specific surface sites active for CO2 adsorption on MgO nanosheets. Two 3-coordinated bare surface oxygen sites, resonating at 39 and 42 ppm, are observed, but only the latter is involved in CO2 adsorption. Double resonance NMR and density functional theory (DFT) calculations results prove that the difference between the two species is the close proximity to H, and CO2 does not bind to the oxygen ions with a shorter O center dot center dot center dot H distance of approx. 3.0 angstrom. Extensions of this approach to explore adsorption processes on other oxide materials can be readily envisaged. The characterization of the surface structure and binding sites of materials is crucial for designing advanced materials for adsorption processes. Here, the authors use O-17 solid-state nuclear magnetic resonance spectroscopy to identify specific CO2 adsorption sites on MgO nanosheets.

Automated summary

Understanding the surface structure and binding sites of oxide nanomaterials is crucial for developing better materials for adsorption and catalytic processes. This study demonstrates the use of O-17 solid-state nuclear magnetic resonance spectroscopy to identify specific CO2 adsorption sites on MgO nanosheets. The results provide valuable insights into the difference between two surface oxygen sites and their involvement in CO2 adsorption.