Recent experiments have shown that the oxygen storage capacity of ceria at the nanoscale is strongly shape and size. For example, an increased activity towards oxygen has been observed for particles of exotic shapes (such as nanorods and nanocubes), and even more interesting perhaps, is the dramatic increased OSC measured for very small nanoparticles (d &lt; 5nm). In the current contribution, the strong size dependence in oxygen chemistry is examined with micro kinetic modelling based on density functional theory. The simulations suggests, that the unusual behaviour is linked with superoxide ions which are stabilized at the particle ridges. The chemistry of such “superoxide enriched” particles is discussed in detail and a new mechanism, capable of resolving apparent discrepancies between experiments and theory is presented.

Size dependent oxygen chemistry of CeO<sub>2</sub> nanoparticles

2019 Fall National Meeting

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Size dependent oxygen chemistry of CeO2 nanoparticles

Size dependent oxygen chemistry of CeO₂ nanoparticles