Theoretical prediction of novel phase, phonon dynamics and physical properties of KAlH4 hydride for hydrogen storage DOI
Yong Pan, Yunfeng Zhu

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 131, P. 221 - 228

Published: April 28, 2025

Language: Английский

A DFT approach to explore the structural, mechanical, and optoelectronic of indium-based InXY3 (X = Ca, Sr, Ba; Y = Cl, Br) halide perovskites for photoelectric applications DOI
Shijie Zhang, Shanjun Chen, Yan Chen

et al.

Physics Letters A, Journal Year: 2025, Volume and Issue: 533, P. 130243 - 130243

Published: Jan. 7, 2025

Language: Английский

Citations

1
The first principles investigation of free‑lead perovskite-type hydrides CsXH3 (X = Sc, Y) for hydrogen storage application DOI
M. Kashif Masood, Wahid Ullah,

Shumaila Bibi

et al.

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

Published: Feb. 1, 2025

Language: Английский

Citations

1
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
A DFT study to investigate of K2LiXH6 (X = Al, Ga, In) perovskite hydrides for hydrogen storage application DOI
Qi Dai, Tianyu Tang,

Zhi-Qiao Chen

et al.

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

Published: Dec. 31, 2024

Language: Английский

Citations

6
Theoretical evaluation of the hydrogen storage, mechanical, and optoelectronic properties of antiperovskites X3H(ZnH4) (X = Na, K, Rb, Cs) DOI
Diwen Liu,

Kaixin Cao,

Jian Huang

et al.

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 113, P. 190 - 197

Published: March 1, 2025

Language: Английский

Citations

0
A first-principles study of pressure-induced changes in the physical properties and hydrogen storage capacities of alkali beryllium hydrides ABeH3 (A = Na, K) for green energy applications DOI

Muhammad Adnan Samhi,

Shafaat Hussain Mirza, Abdullah M. Al‐Enizi

et al.

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 116, P. 627 - 646

Published: March 14, 2025

Language: Английский

Citations

0
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
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
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
Theoretical prediction of novel phase, phonon dynamics and physical properties of KAlH4 hydride for hydrogen storage DOI
Yong Pan, Yunfeng Zhu

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 131, P. 221 - 228

Published: April 28, 2025

Language: Английский

Citations

0