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Author

H. Elansary

3 papers indexed here

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Open access Sep 2026

Optoelectronic, Photo-Catalytic and Thermodynamic Properties of Ba-Based Spinels (BaLu2X4, X = S, Se) for Energy Harvesting Applications Explored Using First-Principles Calculations

Background: Chalcogenide spinels are promising semiconducting materials for optoelectronic, photocatalytic, and renewable energy applications because of their structural stability and tunable electronic properties. This study systematically investigates the structural, electronic, optical, elastic, thermodynamic, and p...

S. Maqsood, H. Elansary, Muhammad Aamir Javed et al. · 0 citations
Open access Aug 2026

First-principles investigation of A2SnH6 (A = Li, Na, K) double perovskite hydrides for energy conversion applications

This study explores the solid-state hydrogen storage capacity of A 2 SnH 6 (A = Li, Na, K) double perovskite hydrides. The substitution of Li with Na and K leads to an increase in lattice parameters from 7.56 to 7.73 and 7.99 Å. The enthalpy of formation and AIMD computation confirm their thermodynamic and ther...

Usman Saeed, Ghulam M. Mustafa, N. A. Noor et al. · 0 citations
Open access Aug 2026

Pressure-dependent DFT study of A2LuCuH6 (A = Li, Na, K) hydrides for hydrogen storage and photo-catalytic water splitting applications

Next-generation clean-energy technologies seek efficient solid-state energy storage materials for hydrogen-based energy systems that exhibit thermodynamically stable properties and multifunctional optoelectronic performance. In the current article, the structural, hydrogen-storage, mechanical, electronic, optical,...

Ali Mustafa Khan, M. U. Sohaib, Sikander Azam et al. · 0 citations

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