Theoretical insights into novel RbMH3 (M = Zn, Nb, and Ru) cubic perovskites for hydrogen storage applications: A first-principles DFT Study

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 113, P. 550 - 563

Published: March 1, 2025

Language: Английский

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Theoretical DFT insights into the stability, electronic, mechanical, optical, thermodynamic, and hydrogen storage properties of RbXH3 (X = Si, Ge, Sn) Perovskite Hydrides

Materials Research Bulletin, Journal Year: 2025, Volume and Issue: unknown, P. 113434 - 113434

Published: March 1, 2025

Language: Английский

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First-principles calculations to investigate structural, elastic, phonon, electronic and optical properties of FrZnF3 Fluoroperovskite for solar applications

Computational and Theoretical Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 115189 - 115189

Published: March 1, 2025

Language: Английский

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DFT Study on K2AgSbI6: Exploring the Electronic, Optical, and Elastic Properties of a Double Perovskite

Solid State Communications, Journal Year: 2025, Volume and Issue: unknown, P. 115947 - 115947

Published: April 1, 2025

Language: Английский

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First-principles study of co-doped wurtzite ZnO: insights into carrier dynamics, visible light absorption, and structural properties for solar cell applications

Optical and Quantum Electronics, Journal Year: 2025, Volume and Issue: 57(5)

Published: April 20, 2025

Language: Английский

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