Abstract:Many nanoparticles show
enhanced catalytic activity on particular surfaces. Hence, a key challenge is
to identify strategies to control the expression of such surfaces and to avoid their
disappearance over time. Here, we use density functional theory to explore the
adsorption of carbon dioxide on the surfaces of Cerium oxide (CeO<sub>2</sub>),
and its relationship with the resulting nanoparticle morphology under
conditions of pressure and temperature.<b> </b>CeO<sub>2</sub>
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