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Ceria chemistry at the nanoscale: effect of the environment
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Structural Chemistry.
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Structural Chemistry.
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Structural Chemistry.
2013 (English)In: Solar Hydrogen And Nanotechnology Viii / [ed] Yosuke Kanai and David Prendergast, 2013, 88220D- p.Conference paper, Published paper (Refereed)
Abstract [en]

We use theoretical simulations to study how oxidative and humid environments affect the chemical composition, shape and structure of ceria nanoparticles. Based on our calculations, we predict that small stoichiometric ceria nanoparticles will have a very limited stability range when exposed to these environments. Instead, we find that reduced ceria nanoparticles are stabilized without changing their inherent shape through the adsorption of oxygen molecules in the form of superoxo species and water in the form of hydroxo species. Based on our results, we propose a redox-cycle for meta-stable ceria nanoparticles without the formation of explicit oxygen vacancies, which is important for understanding the low-temperature oxygen chemistry of ceria at the nanoscale.

Place, publisher, year, edition, pages
2013. 88220D- p.
Series
Proceedings of SPIE, ISSN 0277-786X ; 8822
Keyword [en]
ceria, nanoparticles, hydroxylation, superoxo ions, reduced ceria, nano-medicine
National Category
Natural Sciences
Identifiers
URN: urn:nbn:se:uu:diva-212467DOI: 10.1117/12.2027074ISI: 000326640100004ISBN: 978-0-8194-9672-0 (print)OAI: oai:DiVA.org:uu-212467DiVA: diva2:678077
Conference
Conference on Solar Hydrogen and Nanotechnology VIII; 28-29 August 2013; San Diego, CA, USA
Available from: 2013-12-11 Created: 2013-12-10 Last updated: 2013-12-11Bibliographically approved

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Kullgren, JollaHermansson, KerstiBroqvist, Peter

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