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Ab initio calculations of Li2(Co, Mn)O8 solid solutions for rechargeable batteries

2019

The presented study has been financed via the Latvian Science Council Grant No. 2018/2-0083. The author is grateful to Professors M. R. Philpott, G. Ceder and G. Borstel for many stimulating discussions during his work at Singapore. We performed all our ab initio calculations at North German Parallel Computer Center located at Hannover (HLRN).

Li2Co1Mn3O8 cathode materialMaterials science5 V rechargeable Li-ion batteryThermodynamicsStatistical and Nonlinear Physics02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnologyCondensed Matter Physics7. Clean energy01 natural sciences0104 chemical sciencesaverage voltageAb initio quantum chemistry methods:NATURAL SCIENCES:Physics [Research Subject Categories]Current (fluid)0210 nano-technologySolid solutionInternational Journal of Modern Physics B

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