Comprehensive DFT analysis of Cr-based XCrH3 (X = Li, K, Cs) metal hydride perovskites: Unveiling multifaceted properties and hydrogen storage potential

Next Materials, Journal Year: 2025, Volume and Issue: 8, P. 100559 - 100559

Published: Feb. 25, 2025

Language: Английский

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A DFT study to investigate of K2LiXH6 (X = Al, Ga, In) perovskite hydrides for hydrogen storage application

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 101, P. 295 - 302

Published: Dec. 31, 2024

Language: Английский

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Theoretical Prediction of the Physical Properties of Novel Fluoro-Perovskites $${\textrm{InXF}}_{3}\hbox {(X = Sn, Pb)}$$ for Advanced Optoelectronic and Thermoelectric Applications Using DFT Calculations

Journal of Inorganic and Organometallic Polymers and Materials, Journal Year: 2025, Volume and Issue: unknown

Published: March 14, 2025

Language: Английский

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Structural, electronic, phonon, thermodynamic and hydrogen storage properties of BeXH3(X = Si,Ge) Hydride Perovskites: A DFT approach

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 127, P. 127 - 136

Published: April 12, 2025

Language: Английский

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First-principles calculations on the physical properties of Zr-based perovskites LiZrH3 and KZrH3 for potential hydrogen storage applications

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 129, P. 199 - 210

Published: April 25, 2025

Language: Английский

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Study of structural, electronic, phonon, thermodynamic, and hydrogen storage properties of hydride Rb2AsSnH6 perovskites: DFT insights

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 133, P. 225 - 234

Published: May 2, 2025

Language: Английский

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