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Calibrating transition-metal energy levels and oxygen bands in first-principles calculations: Accurate prediction of redox potentials and charge transfer in lithium transition-metal oxides Seo, Dong-Hwa; Urban, Alexander; Ceder, Gerbrand, PHYSICAL REVIEW B, v.92, no.11, 2015-09 |
Computational understanding of Li-ion batteries Urban, Alexander; Seo, Dong-Hwa; Ceder, Gerbrand, NPJ COMPUTATIONAL MATERIALS, v.2, 2016 |
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