Issue 32, 2010
From the journal:

Chemical Communications

Greatly facilitated oxygen vacancy formation in ceria nanocrystallites†

Annapaola Migani,*a   Georgi N. Vayssilov,b   Stefan T. Bromley,ac   Francesc Illasac  and  Konstantin M. Neyman*ac  

* Corresponding authors

a Departament de Química Física and Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, 08028 Barcelona, Spain
E-mail: amigani@ub.edu, konstantin.neyman@ub.edu
Fax: +34 9340 21231
Tel: +34 9340 37212

b Faculty of Chemistry, University of Sofia, 1126 Sofia, Bulgaria

c Institució Catalana de Recerca i Estudis Avançats (ICREA), 08010 Barcelona, Spain
E-mail: konstantin.neyman@icrea.es

Abstract

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.

Graphical abstract: Greatly facilitated oxygen vacancy formation in ceria nanocrystallites

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Article information

DOI
https://doi.org/10.1039/C0CC01091J
Article type
Communication
Submitted
23 Apr 2010
Accepted
27 May 2010
First published
02 Jul 2010

Chem. Commun., 2010,46, 5936-5938

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Greatly facilitated oxygen vacancy formation in ceria nanocrystallites

A. Migani, G. N. Vayssilov, S. T. Bromley, F. Illas and K. M. Neyman, Chem. Commun., 2010, 46, 5936 DOI: 10.1039/C0CC01091J

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