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most citedThe Alloy Theoretic Automated Toolkit: A User Guide

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cond-mat.str-el2003★ 77 cited

The Role of hybridization in NaxCoO2 and the Effect of Hydration

C. A. Marianetti, G. Kotliar, G. Ceder

Density functional theory (DFT) within the local density approximation (LDA) is used to understand the electronic properties of Na1/3CoO2 and Na1/3CoO2(H2O)4/3, which was recently…