Systematic Computational Screening and Design of Double Perovskites Q2LiMH6 (Q = K, Rb; M = Ga, In, Tl) for Efficient Hydrogen Storage: A DFT and AIMD Approach DOI
Asif Hosen, Ahmad A. Mousa, Ebrahim Nemati‐Kande

et al.

Surfaces and Interfaces, Journal Year: 2025, Volume and Issue: unknown, P. 106608 - 106608

Published: April 1, 2025

Language: Английский

Comprehensive DFT analysis of structural, mechanical, electronic, optical, and hydrogen storage properties of novel perovskite-type hydrides Y₂CoH₆ (Y Ca, Ba, Mg, Sr) DOI
Amer Almahmoud,

Hamzah Alkhalidi,

Abdalla Obeidat

et al.

Journal of Energy Storage, Journal Year: 2025, Volume and Issue: 117, P. 116146 - 116146

Published: March 12, 2025

Language: Английский

Citations

1
Exploring Zr-based perovskite hydrides XZrH3 (X: Na/Cs) for hydrogen storage applications: Insights from first-principles DFT calculations DOI

A. Hammad,

Tesfaye Abebe Geleta, M. Tanseer Ali

et al.

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 126, P. 22 - 35

Published: April 9, 2025

Language: Английский

Citations

0
Atomistic simulations for electronic structure, mechanical stability and optical responses of sodium-based NaAH3 (A= Sc, Ti and V) metal hydride perovskites for hydrogen storage applications DOI
Mubashar Ali, Muhammad Raheel, Zunaira Bibi

et al.

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 128, P. 749 - 759

Published: April 19, 2025

Language: Английский

Citations

0
First-principle quantum analysis of structural, electronic, optical, and mechanical properties of K3XH8 (X = Cr, Mn and Fe) hydrides for hydrogen storage system DOI
Bilal Ahmed,

Muhammad Bilal Tahir,

Muhammad Sagir

et al.

Chemical Physics, Journal Year: 2025, Volume and Issue: unknown, P. 112744 - 112744

Published: April 1, 2025

Language: Английский

Citations

0
Exploring the structural, electronic, optical, mechanical properties and hydrogen storage capabilities of alkali metal molybdenum hydrides XMoH3 (X=Li, Na, K): A DFT study DOI
Zeesham Abbas, Dildar Hussain, Bilal Ahmed

et al.

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 130, P. 191 - 201

Published: April 25, 2025

Language: Английский

Citations

0
Tailoring the physical and hydrogen storage properties of thermodynamically stable XSc3H8 (X= Li and Na) hydrides for the hydrogen storage application DOI
Bilal Ahmed, Muhammad Bilal Tahir, Muhammad Sagir

et al.

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 131, P. 136 - 144

Published: April 27, 2025

Language: Английский

Citations

0
Systematic Computational Screening and Design of Double Perovskites Q2LiMH6 (Q = K, Rb; M = Ga, In, Tl) for Efficient Hydrogen Storage: A DFT and AIMD Approach DOI
Asif Hosen, Ahmad A. Mousa, Ebrahim Nemati‐Kande

et al.

Surfaces and Interfaces, Journal Year: 2025, Volume and Issue: unknown, P. 106608 - 106608

Published: April 1, 2025

Language: Английский

Citations

0