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Atomic-Level Design of a Multifunctional MnC30:H Nanocage: A Promising Platform for Hydrogen Storage and Next-Generation Energy Technologies.
Alkali-metal-driven optoelectronic properties of XSrBr3 (X = Cs, Rb, K) Sr-based halide perovskites: A first-principles investigation.
In this study, First-principles calculations were conducted to investigate the structure, electric, optical, and thermodynamic properties of Sr-minerals based halide perovskites, in order to gain insight into their potential for optoelectronic applications. The present work aims to comprehensively investigated the stru...