Linking Local Environments and Hypertine Shifts: A Combined Experimental and Theoretical P and Li Solid-State NMR Study of Paramagnetic Fe(III) Phosphates.

Iron phosphates (FePO) are among the most promising candidate materials for advanced Li-ion battery cathodes. This work reports upon a combined nuclear magnetic resonance (NMR) experimental and periodic density functional theory (DFT) computational study of the environments and electronic structures...

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Publicado en:	Journal of the American Chemical Society Vol. 132; no. 47; pp. 16825 - 16841
Autores principales:	Jongsik Kim, Middlemiss, Derek S., Chernova, Natasha A., Zhu, Ben Y. X., Masquelier, Christian, Grey, Clare P.
Formato:	Artículo
Publicado:	American Chemical Society 12/1/2010
Materias:	Iron Phosphates Nuclear magnetic resonance Density functionals Cathode rays Electronic structure
Acceso en línea:	Ver este registro en EBSCOhost