Machine learning, theoretical exploration and device simulation of Cs2NaXCl6 (X = Bi, In, Sb, Sc) double halide perovskites with spatial applications DOI
Changcheng Chen,

Yali Tuo,

Zhengjun Wang

et al.

Solar Energy, Journal Year: 2024, Volume and Issue: 287, P. 113199 - 113199

Published: Dec. 24, 2024

Language: Английский

DFT Computation-Assisted Design and synthesis of trisodium nickel triphosphate: Crystal Structure, Vibrational study, DFT Computation, Electronic Properties and Application in Wastewater Purification DOI

Mohammed Zerrouk,

Mohammed Er-rajy, Khalil Azzaoui

et al.

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 141450 - 141450

Published: Jan. 1, 2025

Language: Английский

Citations

2
Investigation of hydrogen storage and energy harvesting potential of double perovskite hydrides A2LiCuH6 (A = Be/Mg/Ca/Sr): A DFT approach DOI
Ahmad Ayyaz,

Muhammad Abaid Ullah,

M. Burhanuz Zaman

et al.

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 102, P. 1329 - 1339

Published: Jan. 17, 2025

Language: Английский

Citations

2
Investigations for hydrogen storage applications of XPtH3 (X = Cs, Fr) hydrides: A first principles study DOI

Abu Bakar,

Hafiz Ali Muhammad,

Muhammad Ahmed

et al.

Chemical Physics, Journal Year: 2024, Volume and Issue: unknown, P. 112566 - 112566

Published: Dec. 1, 2024

Language: Английский

Citations

5
Identification of the most promising copper-based SAAs for hydrogen adsorption applications using semiempirical quantum calculation MOPAC-PM7 DOI
M. Susana Moreno, Anı́bal M. Blanco, Marı́a Luján Ferreira

et al.

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 126, P. 496 - 507

Published: April 11, 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
First-Principles study of Ti-Based X2TiH5 (X = Mg, Ca, Sr) hydrides for Advanced hydrogen storage applications DOI
Bilal Ahmed, Muhammad Bilal Tahir, Muhammad Sagir

et al.

Chemical Physics, Journal Year: 2024, Volume and Issue: 589, P. 112499 - 112499

Published: Nov. 12, 2024

Language: Английский

Citations

3
The prediction of hydrogen storage capacity and solar water splitting applications of Rb2AlXH6 (X= In, Tl) perovskite halides: A DFT study DOI
Hudabia Murtaza, Qurat Ul Ain, Ahmed S. Jbara

et al.

Journal of Physics and Chemistry of Solids, Journal Year: 2024, Volume and Issue: unknown, P. 112427 - 112427

Published: Nov. 1, 2024

Language: Английский

Citations

3
Machine learning, theoretical exploration and device simulation of Cs2NaXCl6 (X = Bi, In, Sb, Sc) double halide perovskites with spatial applications DOI
Changcheng Chen,

Yali Tuo,

Zhengjun Wang

et al.

Solar Energy, Journal Year: 2024, Volume and Issue: 287, P. 113199 - 113199

Published: Dec. 24, 2024

Language: Английский

Citations

1