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Electrochemical Performance and Structures of Chromium and Molybdenum-Doped ε-LixVOPO4 Predicted as Promising Cathodes for Next Generation Lithium-Ion Batteries

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We report here the predicted structural and electrochemical characteristics of e-LixVOPO4 doped with 25% Cr or Mo using density functional theory (DFT) calculations. We predict the charging potenti... Click to show full abstract

We report here the predicted structural and electrochemical characteristics of e-LixVOPO4 doped with 25% Cr or Mo using density functional theory (DFT) calculations. We predict the charging potenti...

Keywords: performance structures; molybdenum doped; doped lixvopo4; chromium molybdenum; structures chromium; electrochemical performance

Journal Title: Journal of Physical Chemistry C
Year Published: 2020

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