title: Computational insights into the nature of increased ionic conductivity in concentrated samarium-doped ceria: a genetic algorithm study.
abstract: Classical force field simulations and genetic algorithms are used to navigate low-energy configurations of samarium-doped ceria (SDC) at a number of concentrations, up to 20% SDC, such that the experimentally observed peak in ionic conductivity is mapped out in its entirety and fresh insight into samarium's role is reported.
authors.affiliation: Centre for Catalysis Research and Innovation, Department of Chemistry, University of Ottawa, 10 Marie Curie, Ottawa, Ontario K1N 6N5, Canada.
authors.forename: James
authors.initials: J
authors.lastname: Hooper
authors.forename: Arif
authors.initials: A
authors.lastname: Ismail
authors.forename: Javier B
authors.initials: JB
authors.lastname: Giorgi
authors.forename: Tom K
authors.initials: TK
authors.lastname: Woo