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Ligand hole

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2 results in Keywords: Ligand hole

Theoretical and Computational Chemistry

The stability and redox mechanisms of Ni-rich NMC cathodes: Insights from first-principles many-body calculations

Hrishit Banerjee, Clare P. Grey, Andrew J. Morris

Version 1 posted 29 March 2024

418

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Theoretical and Computational Chemistry

Dynamic correlation driven paramagnetic insulating state and optical properties of the cathode material rhombohedral LiNiO2 at room temperature

Hrishit Banerjee, Markus Aichhorn, Clare P. Grey, Andrew J. Morris

Version 1 posted 22 April 2024

288

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1

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