Dimer-mediated cation diffusion in the stoichiometric ionic conductor Li3N.
Non-equilibrium molecular dynamics has been used to model cation diffusion in stoichiometric Li3N over the temperature range 50 < T/K < 800. The resulting diffusion coefficients are in excellent agreement with the available experimental data. We present a detailed atomistic account of...
| Main Authors: | , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
Royal Society of Chemistry
2016
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