In Figure 11, we can identify this T shape, and also the cited polar interaction with the ether groups in the cavity. This mutual orientation is quite stable but, as displayed also in Figure 11, the breakup of this conformation provokes one of the CO22 to abandon the cavity, this ...
In addition, the theoretical studies of the CO–H2 interaction on the various ceria surfaces have been complemented with experimental characterization of shape-engineered ceria samples representative of the modelled terminations. CO-PROX operando diffuse reflectance infrared Fourier-transformed spectroscopy (...