Reduced ceria nanofilms from structure prediction
Author:
Affiliation:
1. Departament de Química Física and Institut de Química Teòrica i Computacional (IQTCUB)
2. Universitat de Barcelona
3. 08028 Barcelona, Spain
4. Institució Catalana de Recerca i Estudis Avançats (ICREA)
5. 08010 Barcelona, Spain
Abstract
A search yielding >30 distinct Ce2O3 nanofilm structures predicts a new stable structure and helps to rationalise experimental observations.
Funder
Consejo Superior de Investigaciones Científicas
Publisher
Royal Society of Chemistry (RSC)
Subject
General Materials Science
Link
http://pubs.rsc.org/en/content/articlepdf/2015/NR/C4NR07458K
Reference48 articles.
1. Approaching nanoscale oxides: models and theoretical methods
2. Catalysis by Ceria and Related Materials, ed. A. Trovarelli and P. Fornasiero, Imperial College Press, London, 2nd edn, 2013
3. Oxygen Defects and Surface Chemistry of Ceria: Quantum Chemical Studies Compared to Experiment
4. Greatly facilitated oxygen vacancy formation in ceria nanocrystallites
5. Dramatic reduction of the oxygen vacancy formation energy in ceria particles: a possible key to their remarkable reactivity at the nanoscale
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