Computational modelling of SmCoO3-based cathode materials for solid oxide fuel cells

This thesis presents the results of a computational study of bulk SmCoO3-based perovskites for use as Intermediate Temperature Solid Oxide Fuel Cell (IT-SOFC) cathode. Using both Density Functional Theory with on-site Coulomb corrections (DFT+U), with correction applied to the transition metal d-ele...

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Bibliographic Details
Main Author: Olsson, E. I. K.
Other Authors: de Leeuw, N. H.
Published: University College London (University of London) 2017
Subjects:
540
Online Access:https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.746785