2020
DOI: 10.26434/chemrxiv.11522565.v2
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Influence of Carbon Dioxide on the Energetics of Cerium Oxide Surfaces and Nanoparticle Morphology

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> … Show more

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