Computational insights into the nature of increased ionic conductivity in concentrated samarium-doped ceria: a genetic algorithm study.
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.
Hooper
James
J
Centre for Catalysis Research and Innovation, Department of Chemistry, University of Ottawa, 10 Marie Curie, Ottawa, Ontario K1N 6N5, Canada.
Ismail
Arif
A
Giorgi
Javier B
JB
Woo
Tom K
TK