4.7 Article

Greatly facilitated oxygen vacancy formation in ceria nanocrystallites

Journal

CHEMICAL COMMUNICATIONS
Volume 46, Issue 32, Pages 5936-5938

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c0cc01091j

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Funding

  1. Generalitat de Catalunya (GC) [2009SGR1041, XRQTC]
  2. Spanish MICINN [FIS2008-02238, CTQ2007-30547-E/BQU]
  3. NSF Bulgaria [DTK02/36, DO02-115]
  4. ICREA Funding Source: Custom

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The formation of oxygen vacancies in nanoparticles CenO2n (n <= 80), studied using density-functional calculations, is found to be greatly facilitated compared to extended surfaces, which explains the observed spectacular reactivity of nanostructured ceria.

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