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Creators/Authors contains: "Margine, Elena_Roxana"

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  1. ; ; ; (, ChemPhysChem)
    Metallization of the ionic hydride LiH has never been achieved experimentally, even under high external pressure. Herein, a novel “chemical capacitor” setup to facilitate its metallization under ambient pressure conditions is applied. The findings reveal that a single layer of this material can withstand doping levels up to an impressive 0.61 holes per H atom without structural collapse, as demonstrated 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 further predict a maximum critical temperature () of 17.5 K for 0.31‐hole‐doped LiH with (LiBaF3)2as surrounding support layers in the absence of external pressure. 
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