title: Solubility of cerium in LaCoO3-influence on catalytic activity.
abstract: The recent interest in the catalytic properties of lanthanum perovskites for methane combustion and three way catalysis has led to considerable debate as to their structure and defect chemistry. We have investigated the doping of LaCoO3 with the tetravalent cerium cation using atomistic simulation techniques. We have compared three routes for cerium insertion and identified the favoured doping mechanism, which explain experimental observations relating to the effect of cerium on catalytic activity.
authors.affiliation: Royal Institution of Great Britain, 21 Albemarle St, London, UK W1S 4BS. sam@ri.ac.uk
authors.forename: S A
authors.initials: SA
authors.lastname: French
authors.forename: C R A
authors.initials: CR
authors.lastname: Catlow
authors.forename: R J
authors.initials: RJ
authors.lastname: Oldman
authors.forename: S C
authors.initials: SC
authors.lastname: Rogers
authors.forename: S A
authors.initials: SA
authors.lastname: Axon