The strong mutual coupling of and even the opposite change in the key parameters, such as
the band gap (Eg) and second‐order harmonic generation (SHG), leads to the extreme …

Perovskites, a prominent category of crystalline substances, have garnered considerable
worldwide interest because of their wide range of possible uses and the fascinating …

Solid-state batteries are projected to exhibit improved energy densities and safety compared
to liquid-electrolyte-based systems. Consequently, the development of solid electrolytes that …

Lithium-rich and sodium-rich antiperovskites (X 3 BA, X= Li, Na) have been explored as
promising inorganic electrolytes for all-solid-state batteries in recent years. To accelerate the …

We developed and implemented a multi‐target multi‐fidelity workflow to explore the
chemical space of antiperovskite materials with general formula X3BA (X= Li, Na, Mg) and …

The development of solid-state batteries has been slowed by limited understanding of the
features that control ion mobility in solid electrolytes (SEs). In the case of anti-perovskite (AP) …

Inclusion of molecular ions with additional characteristics, including anisotropic shape,
magnetic moments, and bonding, widens the possibilities for controling and tuning the …

Sodium-rich anti-perovskites have unique advantages in terms of composition tuning and
electrochemical stability when used as solid-state electrolytes in sodium-ion batteries …

Superatom-based superionic conductors are of current interest due to their promising
applications in solid-state electrolytes for rechargeable batteries. However, much less …

A class of Na-based antiperovskites Na 3 XY (X= F, H; Y= S, Se, Te) was recently reported
with a remarkably high ionic conductivity∼ 0.1 mS/cm near room temperature. Herein, we …