Hop, skip or jump? Proton transport in the CaZrO3 perovskite oxide

M S Islam, R A Davies, J D Gale

Research output: Contribution to journalArticle

Abstract

Ab initio simulations of the CaZrO3 proton conductor predict that the transport mechanism involves proton transfer between adjacent oxygen ions (but predominantly inter-octahedra), and that the energetics of proton-dopant binding is favourable in accord with spectroscopic evidence.
Original languageEnglish
Pages (from-to)661-662
Number of pages2
JournalChemical Communications
Issue number7
Publication statusPublished - 2001

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