Superconducting lithium hydride in a chemical capacitor setup - a theoretical study.

Metallization of the ionic hydride LiH has never been achieved experimentally, even under high external pressure. In this study, we apply a novel "chemical capacitor" setup to facilitate its metallization under ambient pressure con- ditions. Our findings reveal that a single layer of this ma- terial can withstand doping levels up to an impressive 0.61 holes per H atom without structural collapse, as demon- strated in the ZrC |LiH |ZrC system. Additionally, the electron-phonon coupling strength (λ) reaches a remarkable value of 2.1 in the TiO |LiH |TiO system, indicative of the strong coupling regime. Superconductivity calculations fur- ther predict a maximum critical temperature (Tc) of 17.5 K for 0.31-hole-doped LiH with (LiBaF3)2 as surrounding sup- port layers in the absence of external pressure.