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Oxygen defects and novel transport mechanisms in apatite ionic conductors: combined 17O NMR and modeling studies

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Oxygen defects and novel transport mechanisms in apatite ionic conductors: combined 17O NMR and modeling studies. / Panchmatia, Pooja M.; Orera, Alodia; Rees, Gregory J. et al.
In: Angewandte Chemie International Edition, Vol. 50, No. 40, 26.09.2011, p. 9328-9333.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Panchmatia, PM, Orera, A, Rees, GJ, Smith, ME, Hanna, JV, Slater, PR & Islam, MS 2011, 'Oxygen defects and novel transport mechanisms in apatite ionic conductors: combined 17O NMR and modeling studies', Angewandte Chemie International Edition, vol. 50, no. 40, pp. 9328-9333. https://doi.org/10.1002/anie.201102064

APA

Panchmatia, P. M., Orera, A., Rees, G. J., Smith, M. E., Hanna, J. V., Slater, P. R., & Islam, M. S. (2011). Oxygen defects and novel transport mechanisms in apatite ionic conductors: combined 17O NMR and modeling studies. Angewandte Chemie International Edition, 50(40), 9328-9333. https://doi.org/10.1002/anie.201102064

Vancouver

Panchmatia PM, Orera A, Rees GJ, Smith ME, Hanna JV, Slater PR et al. Oxygen defects and novel transport mechanisms in apatite ionic conductors: combined 17O NMR and modeling studies. Angewandte Chemie International Edition. 2011 Sept 26;50(40):9328-9333. doi: 10.1002/anie.201102064

Author

Panchmatia, Pooja M. ; Orera, Alodia ; Rees, Gregory J. et al. / Oxygen defects and novel transport mechanisms in apatite ionic conductors : combined 17O NMR and modeling studies. In: Angewandte Chemie International Edition. 2011 ; Vol. 50, No. 40. pp. 9328-9333.

Bibtex

@article{d60ddf776a48480e9b779d4b3fedbcf9,
title = "Oxygen defects and novel transport mechanisms in apatite ionic conductors: combined 17O NMR and modeling studies",
abstract = "Germanium-based apatite compounds are fast oxide-ion conductors for potential use in fuel cells. A combination of solid-state 17O NMR spectroscopy, atomistic modeling, and DFT techniques help to elucidate oxygen defect sites and novel cooperative mechanisms of ion conduction. The picture shows oxygen diffusion in the studied apatite compound from molecular dynamics simulations.",
keywords = "computer simulations, fuel cells, NMR spectroscopy, solid-state structures",
author = "Panchmatia, {Pooja M.} and Alodia Orera and Rees, {Gregory J.} and Smith, {Mark E.} and Hanna, {John V.} and Slater, {Peter R.} and Islam, {M. Saiful}",
year = "2011",
month = sep,
day = "26",
doi = "10.1002/anie.201102064",
language = "English",
volume = "50",
pages = "9328--9333",
journal = "Angewandte Chemie International Edition",
issn = "1433-7851",
publisher = "Wiley-VCH Verlag",
number = "40",

}

RIS

TY - JOUR

T1 - Oxygen defects and novel transport mechanisms in apatite ionic conductors

T2 - combined 17O NMR and modeling studies

AU - Panchmatia, Pooja M.

AU - Orera, Alodia

AU - Rees, Gregory J.

AU - Smith, Mark E.

AU - Hanna, John V.

AU - Slater, Peter R.

AU - Islam, M. Saiful

PY - 2011/9/26

Y1 - 2011/9/26

N2 - Germanium-based apatite compounds are fast oxide-ion conductors for potential use in fuel cells. A combination of solid-state 17O NMR spectroscopy, atomistic modeling, and DFT techniques help to elucidate oxygen defect sites and novel cooperative mechanisms of ion conduction. The picture shows oxygen diffusion in the studied apatite compound from molecular dynamics simulations.

AB - Germanium-based apatite compounds are fast oxide-ion conductors for potential use in fuel cells. A combination of solid-state 17O NMR spectroscopy, atomistic modeling, and DFT techniques help to elucidate oxygen defect sites and novel cooperative mechanisms of ion conduction. The picture shows oxygen diffusion in the studied apatite compound from molecular dynamics simulations.

KW - computer simulations

KW - fuel cells

KW - NMR spectroscopy

KW - solid-state structures

U2 - 10.1002/anie.201102064

DO - 10.1002/anie.201102064

M3 - Journal article

VL - 50

SP - 9328

EP - 9333

JO - Angewandte Chemie International Edition

JF - Angewandte Chemie International Edition

SN - 1433-7851

IS - 40

ER -