Investigating the structural, mechanical, elastic anisotropy and thermodynamic properties of Ta-C ultrahigh temperature ceramics via first-principles calculations DOI
Yong Pan, Zhijing Yang, Hui Zhang

et al.

Ceramics International, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 1, 2024

Language: Английский

Titanium and copper tailoring of fullerene (Cu-Ti@C60) as a sensor nanostructured for toxic gas pollutants: A DFT study DOI

Ekpenyong O. Okon,

Gideon E. Mathias, Musa Runde

et al.

Diamond and Related Materials, Journal Year: 2025, Volume and Issue: unknown, P. 112147 - 112147

Published: Feb. 1, 2025

Language: Английский

Citations

0
New insight into the structural, hydrogen storage capacity, dehydrogenated mechanism and physical properties of Alkali metal AMAlH4 hydrides DOI
Yong Pan, Yunfeng Zhu

Journal of Alloys and Compounds, Journal Year: 2025, Volume and Issue: 1021, P. 179661 - 179661

Published: March 10, 2025

Language: Английский

Citations

0
Exploring the structure, hydrogen storage capacity and hydrogen storage mechanism of X3N3H6 hydrides for hydrogen storage DOI

Jiahao Gao,

Yong Pan,

I.P. Jain

et al.

Applied Materials Today, Journal Year: 2025, Volume and Issue: 44, P. 102755 - 102755

Published: May 1, 2025

Language: Английский

Citations

0
Heterocoordination-driven regulation of Ca2Fe2O5 lattice oxygen for high selectivity syngas and hydrogen production via chemical looping DOI
Yile Zou, Hui Liu, Jing Liu

et al.

Applied Surface Science, Journal Year: 2025, Volume and Issue: unknown, P. 163411 - 163411

Published: May 1, 2025

Language: Английский

Citations

0
Exploring the hydrogen storage capacity, dehydrogenated mechanism, electronic and optical properties of AMMgH3 hydrides for hydrogen storage DOI

Yong Pan,

Jiahao Gao

Journal of Energy Storage, Journal Year: 2025, Volume and Issue: 124, P. 116869 - 116869

Published: May 2, 2025

Language: Английский

Citations

0
Study of structural, electronic, phonon, thermodynamic, and hydrogen storage properties of hydride Rb2AsSnH6 perovskites: DFT insights DOI

Zi Sheng Zang,

Xu Lu,

Asghar Hussain

et al.

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

Published: May 2, 2025

Language: Английский

Citations

0
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
First principles calculations of double perovskite RbX2Y3O10 (X = Ca, Ba: Y Cd, Ta) materials for photocatalytic applications DOI
Shoukat Hussain, Jalil Ur Rehman, Muhammad Bilal Tahir

et al.

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 89, P. 486 - 495

Published: Sept. 29, 2024

Language: Английский

Citations

2
Computational predictions of physical properties of perovskite CsGeR3 (R = F, Cl, Br, and I) materials for optoelectronic applications DOI
Shoukat Hussain, Suhaima Aftab,

Sana Muneer

et al.

Inorganic Chemistry Communications, Journal Year: 2024, Volume and Issue: unknown, P. 113811 - 113811

Published: Dec. 1, 2024

Language: Английский

Citations

2
Structural, electronic, magnetic, optical and thermoelectric properties of ferromagnetic double perovskites K2ScCoX6 (X = F, Cl): A first-principles study DOI Creative Commons
Vineet Tirth,

Amina,

Muhammad Kamran

et al.

Case Studies in Thermal Engineering, Journal Year: 2024, Volume and Issue: 64, P. 105433 - 105433

Published: Nov. 6, 2024

Language: Английский

Citations

0