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

M S Islam; R A Davies; J D Gale

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

M S Islam, R A Davies, J D Gale

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

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 language	English
Pages (from-to)	661-662
Number of pages	2
Journal	Chemical Communications
Issue number	7
Publication status	Published - 2001

Bibliographical note

ID number: ISI:000168009700036

Cite this

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

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.",

author = "Islam, {M S} and Davies, {R A} and Gale, {J D}",

note = "ID number: ISI:000168009700036",

year = "2001",

language = "English",

pages = "661--662",

journal = "Chemical Communications",

issn = "1359-7345",

publisher = "Royal Society of Chemistry",

number = "7",

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T1 - Hop, skip or jump? Proton transport in the CaZrO3 perovskite oxide

AU - Islam, M S

AU - Davies, R A

AU - Gale, J D

N1 - ID number: ISI:000168009700036

PY - 2001

Y1 - 2001

N2 - 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.

AB - 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.

M3 - Article

SN - 1359-7345

SP - 661

EP - 662

JO - Chemical Communications

JF - Chemical Communications

IS - 7

ER -

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

Abstract

Bibliographical note

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