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

Fingerprint

Perovskite
Oxides
Protons
Proton transfer
Doping (additives)
Ions
Oxygen
perovskite

Cite this

Hop, skip or jump? Proton transport in the CaZrO3 perovskite oxide. / Islam, M S; Davies, R A; Gale, J D.

In: Chemical Communications, No. 7, 2001, p. 661-662.

Research output: Contribution to journalArticle

@article{90f8ce74e87843a1b0ff18f7e828c90b,
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 (Cambridge, England)",
issn = "1359-7345",
publisher = "Royal Society of Chemistry",
number = "7",

}

TY - JOUR

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

SP - 661

EP - 662

JO - Chemical communications (Cambridge, England)

JF - Chemical communications (Cambridge, England)

SN - 1359-7345

IS - 7

ER -