Modeling Ti/Ge Distribution in LiTiGe(PO) NASICON Series by P MAS NMR and First-Principles DFT Calculations.

Ti/Ge distribution in rhombohedral LiTiGe(PO) NASICON series has been analyzed by P magic-angle spinning nuclear magnetic resonance (MAS NMR) spectroscopy and first-principles density functional theory (DFT) calculations. Nuclear magnetic resonance is an excellent probe to follow Ti/Ge disorder, as...

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Publicado en:	Journal of the American Chemical Society Vol. 138; no. 30; pp. 9479 - 9487
Autores principales:	Diez-Gómez, Virginia, Arbi, Kamel, Sanz, Jesús
Formato:	Artículo
Publicado:	American Chemical Society 8/3/2016
Materias:	Nuclear magnetic resonance Hematite Magic angle spinning Density functional theory X-ray diffraction
Acceso en línea:	Ver este registro en EBSCOhost