Journal article

Local structure and lithium-ion diffusion pathway of cubic Li<sub>7</sub>La<sub>3</sub>Zr<sub>2</sub>O<sub>12</sub> studied by total scattering and the Reverse Monte Carlo method

Abstract:: The cubic phase of Li 7 La 3 Zr 2 O 12 shows fast diffusion of the lithium ions. Combining total scattering measurements analysed by the RMC method with molecular dynamics simulations gives a detailed picture of the distribution of the Li + ions.

Publication status:: Published

Peer review status:: Peer reviewed

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APA Style

Tian, H., Cai, G., Tan, L., Lin, H., Phillips, A. E., Abrahams, I., Keen, D. A., Keeble, D. S., Fiedler, A., Zhang, J., Kong, X. Y., & Dove, M. T. (2023). Local structure and lithium-ion diffusion pathway of cubic Li<sub>7</sub>La<sub>3</sub>Zr<sub>2</sub>O<sub>12</sub> studied by total scattering and the Reverse Monte Carlo method. Journal of Materials Chemistry A: Materials for Energy and Sustainability, 11(46), 25516–25533.

MLA Style

Tian, H, et al. “Local Structure and Lithium-Ion Diffusion Pathway of Cubic Li<Sub>7</Sub>La<Sub>3</Sub>Zr<Sub>2</Sub>O<Sub>12</Sub> Studied by Total Scattering and the Reverse Monte Carlo Method.” Journal of Materials Chemistry A: Materials for Energy and Sustainability, vol. 11, no. 46, 2023, pp. 25516–33.

Chicago Style

Tian, H, G Cai, L Tan, et al. 2023. “Local Structure and Lithium-Ion Diffusion Pathway of Cubic Li<Sub>7</Sub>La<Sub>3</Sub>Zr<Sub>2</Sub>O<Sub>12</Sub> Studied by Total Scattering and the Reverse Monte Carlo Method.” Journal of Materials Chemistry A: Materials for Energy and Sustainability 11 (46): 25516–33.
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Files:: Tian_et_al_2023_Local_structure_and.pdf

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Publisher copy:: 10.1039/d3ta04495e

Authors

+ Tian, H More by this author

Role:: Author
ORCID:: 0000-0003-0585-8279

+ Cai, G More by this author

Role:: Author
ORCID:: 0000-0001-8144-5084

+ Tan, L More by this author

Role:: Author
ORCID:: 0000-0002-8094-2705

+ Lin, H More by this author

Role:: Author
ORCID:: 0000-0002-9907-8494

+ Phillips, AE More by this author

Role:: Author
ORCID:: 0000-0003-4225-0158

More authors...

+ China Scholarship Council More from this funder

Funder identifier:: 10.13039/501100004543
Grant:: 201704910231

+ Diamond Light Source More from this funder

Funder identifier:: 10.13039/100011889
Grant:: ee19378

+ National Natural Science Foundation of China More from this funder

Funder identifier:: 10.13039/501100001809
Grant:: 12174274

+ ISIS Neutron and Muon Source More from this funder

Funder identifier:: 10.13039/501100021200
Grant:: RB1910237

Publisher:: Royal Society of Chemistry
Journal:: Journal of Materials Chemistry A: materials for energy and sustainability More from this journal
Volume:: 11
Issue:: 46
Pages:: 25516-25533
Publication date:: 2023-11-28
DOI:: 10.1039/d3ta04495e
EISSN:: 2050-7496
ISSN:: 2050-7488

Language:: English
Keywords:: Phase (matter)

Analytical Chemistry (journal)

Reverse Monte Carlo

Thermodynamics

Optics

Crystal structure

Crystallography

Materials science

Lithium (medication)

Ion

Diffusion

Physics

Chemistry

Scattering

Atomic physics
Pubs id:: 1557014
Local pid:: pubs:1557014
Source identifiers:: W4387349839
Deposit date:: 2026-06-01
ARK identifier:: ark:/29072/ora_6d6b7cb5dea44e73bfc940aec848a06a

Terms of use

Copyright date:: 2023

Licence:: CC Attribution (CC BY)

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