First Principles Design and Investigation of Lithium-Ion Battery Cathodes and Electrolytes (original) (raw)

A Computational Investigation of Li9M3 (P2O7) 3 (PO4) 2 (M= V, Mo) as Cathodes for Li Ion Batteries

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First-principles studies of the effects of impurities on the ionic and electronic conduction in LiFePO4

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“Hydrotriphylites” Li1-xFe1+x(PO4)1-y(OH)4y as Cathode Materials for Li-ion Batteries

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Designing Multielectron Lithium-Ion Phosphate Cathodes by Mixing Transition Metals

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Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput ab Initio Calculations

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Structural, Electronic, and Electrochemical Properties of Cathode Materials Li 2 M SiO 4 ( M = Mn, Fe, and Co): Density Functional Calculations

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Accurate electronic properties and intercalation voltages of olivine-type Li-ion cathode materials from extended Hubbard functionals

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Overcoming the Interfacial Challenges of LiFePO4 in Inorganic All-Solid-State Batteries

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The electronic structure and band gap of LiFePO4 and LiMnPO4

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Mapping Structure-Composition-Property Relationships in V- and Fe-Doped LiMnPO4 Cathodes for Lithium-Ion Batteries

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Ab initio Studies on Li 4+ x Ti 5 O 12 Compounds as Anode Materials for Lithium-Ion Batteries

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Optimization of lithium content in LiFePO 4 for superior electrochemical performance: the role of impurities

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Synchrotron-based operando X-ray diffraction and X-ray absorption spectroscopy study of LiCo0.5Fe0.5PO4 mixed d-metal olivine cathode

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Rhombohedral Form of Li3V2(PO4)3 as a Cathode in Li-Ion Batteries

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Theoretical evaluation of high-energy lithium metal phosphate cathode materials in Li-ion batteries

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