First-principles study of the inversion thermodynamics and electronic structure of FeM2 X4 (thio)spinels (M = Cr, Mn, Co, Ni; X = O, S) David Santos-Carballal,1,* Alberto Roldan,1,2 Ricardo Grau-Crespo,3 and Nora H. de Leeuw1,2,† 1Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, United Kingdom 2School of Chemistry, Cardiff University, Main Building, Park Pl...

The influence mechanism of the microwave dielectric properties disordered spinels Li 10 MTi 13 O 32 (M = Zn, Mg) was investigated via structural refinement, ionic polarizability, bond valence, P–V–L theory, Raman spectroscopy, and DC conductivity.

Positive electrodes with high energy densities for Lithium-ion batteries (LIB) almost exclusively rely on toxic and costly transition metals. Iron based voltage spinels can be feasible alternatives, but the phase stabilities optimal chemistries LIB applications are not fully understood yet. In this study, LiFe x Mn 2-x O 4 = 0.2 to 0.9 were synthesized by solid-state reaction at 800 °C. High-re...