Unraveling the Complexities of A2NaMoCl6 (A=Cs, Rb) Halide Double Perovskites Through Theoretical Methods

Journal of Physics and Chemistry of Solids, Journal Year: 2024, Volume and Issue: unknown, P. 112477 - 112477

Published: Nov. 1, 2024

Language: Английский

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The first principles investigation of free‑lead perovskite-type hydrides CsXH3 (X = Sc, Y) for hydrogen storage application

Computational and Theoretical Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 115144 - 115144

Published: Feb. 1, 2025

Language: Английский

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The investigation of the physical properties of nickel-based hydrides and the prediction of their suitability for hydrogen storage application

Materials Science in Semiconductor Processing, Journal Year: 2024, Volume and Issue: 186, P. 109094 - 109094

Published: Nov. 10, 2024

Language: Английский

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Unveiling the potential platinum-based hydrides for solid-state hydrogen storage application: A DFT study

Materials Science in Semiconductor Processing, Journal Year: 2024, Volume and Issue: 188, P. 109214 - 109214

Published: Dec. 12, 2024

Language: Английский

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First-principles study of triaxial strain effect on structural, mechanical, electronic, optical, and photocatalytic properties of K2SeBr6 for solar hydrogen production

Chemical Physics, Journal Year: 2025, Volume and Issue: unknown, P. 112739 - 112739

Published: April 1, 2025

Language: Английский

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Exploring the structure, hydrogen storage capacity and hydrogen storage mechanism of X3N3H6 hydrides for hydrogen storage

Applied Materials Today, Journal Year: 2025, Volume and Issue: 44, P. 102755 - 102755

Published: May 1, 2025

Language: Английский

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