Unlocking anionic redox activity in O3-type sodium 3d layered oxides via Li substitution

Rksume. - Dans les oxydes de metaux de transition on observe une transition d'isolant a metal puis de metal a isolant de type Mott lorsque l'on augmente le

is assumed to contain both trie Hubbard intra-atomic repulsive term Un~in~j, nia being trie number operator of electrons on atomic site1 with spin a and U trie positive

We also report for the first time the crystal field spectrum of cr13r2 (3d4), where, despite its unfilled eg semishell, exciton-phonon (ep] interaction vanishes to first order

A) Simple aggregates of holes and one vacancy. C) Extended vacancy-interstitial aggregates in which a common edge is shared between tetrahedral vacancy clusters

obtained by slab gliding using sodium electrochemical (de)intercalation at room temperature which are not accessible by classical synthesis methods. Using in situ and

These compounds usually exhibit a deep blue color due to intervalence transfer (photochromism of amorphous WO ) together with semiconducting properties via a hopping

Subsequently, the effect of neglecting polyyne chemistry and polyyne-based inception was studied by performing a third computation of the same coflow laminar diffusion

In this chapter, the evolution of the Li-ion battery cathode materials over the years has been presented together with theoretical findings rationalizing their performances. It