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Computational study of hydrostatic pressure effect on MgSiO3 perovskite oxide for photocatalytic water splitting application
Despite the challenges of develo** efficient photocatalysts for water splitting, we
demonstrate that MgSiO 3 perovskite oxide, under applied external stress, significantly …
demonstrate that MgSiO 3 perovskite oxide, under applied external stress, significantly …
Unraveling the complexities of A2NaMoCl6 (A= Cs, Rb) halide double perovskites through theoretical methods
This study explores the structural, electronic, magnetic, optical, mechanical and
thermoelectric (TE) properties of halide double perovskites (HDPs) A 2 NaMoCl 6 (A= Cs …
thermoelectric (TE) properties of halide double perovskites (HDPs) A 2 NaMoCl 6 (A= Cs …
The investigation of the physical properties of nickel-based hydrides and the prediction of their suitability for hydrogen storage application
We exploited density functional theory (DFT) to conduct a thorough examination of the
structural, mechanical, electronic, magnetic, thermodynamic, optical, and hydrogen storage …
structural, mechanical, electronic, magnetic, thermodynamic, optical, and hydrogen storage …