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• W3100690552 abstract "The (Li,Al)-codoped magnesium spinel $({mathrm{Li}}_{x}{mathrm{Mg}}_{1ensuremath{-}2x}{mathrm{Al}}_{2+x}{mathrm{O}}_{4})$ is a solid lithium-ion electrolyte with potential use in all-solid-state lithium-ion batteries. The spinel structure means that interfaces with spinel electrodes, such as ${mathrm{Li}}_{y}{mathrm{Mn}}_{2}{mathrm{O}}_{4}$ and ${mathrm{Li}}_{4+3z}{mathrm{Ti}}_{5}{mathrm{O}}_{12}$, may be lattice matched, with potentially low interfacial resistances. Small lattice parameter differences across a lattice-matched interface are unavoidable, causing residual epitaxial strain. This strain potentially modifies lithium diffusion near the electrolyte-electrode interface, contributing to interfacial resistance. Here, we report a density functional theory study of strain effects on lithium diffusion pathways for (Li,Al)-codoped magnesium spinel, for ${x}_{mathrm{Li}}=0.25$ and ${x}_{mathrm{Li}}=0.5$. We have calculated diffusion profiles for the unstrained materials, and for isotropic and biaxial tensile strains of up to $6%$, corresponding to $left{100right}$ epitaxial interfaces with ${mathrm{Li}}_{y}{mathrm{Mn}}_{2}{mathrm{O}}_{4}$ and ${mathrm{Li}}_{4+3z}{mathrm{Ti}}_{5}{mathrm{O}}_{12}$. We find that isotropic tensile strain reduces lithium diffusion barriers by as much as $0.32phantom{rule{0.28em}{0ex}}mathrm{eV}$, with typical barriers reduced by $ensuremath{sim}0.1$ eV. This effect is associated with increased volumes of transitional octahedral sites, and broadly follows qualitative changes in local electrostatic potentials. For biaxial (epitaxial) strain, which more closely approximates strain at a lattice-matched electrolyte-electrode interface, changes in octahedral site volumes and in lithium diffusion barriers are much smaller than under isotropic strain. Typical barriers are reduced by only $ensuremath{sim}0.05$ eV. Individual effects, however, depend on the pathway considered and the relative strain orientation. These results predict that isotropic strain strongly affects ionic conductivities in (Li,Al)-codoped magnesium spinel electrolytes, and that tensile strain is a potential route to enhanced lithium transport. For a lattice-matched interface with candidate spinel-structured electrodes, however, epitaxial strain has a small, but complex, effect on lithium diffusion barriers." @default.
• W3100690552 created "2020-11-23" @default.
• W3100690552 creator A5001681469 @default.
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• W3100690552 date "2018-04-17" @default.
• W3100690552 modified "2023-10-14" @default.
• W3100690552 title "Interfacial strain effects on lithium diffusion pathways in the spinel solid electrolyte Li-doped <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:msub><mml:mi>MgAl</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant=normal>O</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>" @default.
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• W3100690552 cites W1970127494 @default.
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• W3100690552 cites W2153511586 @default.
• W3100690552 cites W2159074604 @default.
• W3100690552 cites W2167525260 @default.
• W3100690552 cites W2197550433 @default.
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• W3100690552 cites W2291569823 @default.
• W3100690552 cites W2331618936 @default.
• W3100690552 cites W2331888200 @default.
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• W3100690552 doi "https://doi.org/10.1103/physrevmaterials.2.045403" @default.
• W3100690552 hasPublicationYear "2018" @default.
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