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Computational identification and experimental realization of lithium vacancy introduction into the olivine LiMgPO4 (2015)
Journal Article
Enciso-Maldonado, L., Dyer, M. S., Jones, M. D., Li, M., Payne, J. L., Pitcher, M. J., …Rosseinsky, M. J. (2015). Computational identification and experimental realization of lithium vacancy introduction into the olivine LiMgPO4. Chemistry of Materials, 27(6), 2074-2091. https://doi.org/10.1021/cm504518q

Calculation of the energetics of aliovalent substitution into the olivine LiMgPO4 suggests that replacement of Mg2+ by In3+ is the most effective way to introduce lithium vacancies and thus generate Li ion conductivity. Experimental synthesis accesse... Read More about Computational identification and experimental realization of lithium vacancy introduction into the olivine LiMgPO4.