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Author

B. A. El-Badry

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2 papers indexed here

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Open access Oct 2026

Comprehensive insights into thermodynamic stability, optoelectronic properties, thermoelectric properties, and photocatalytic hydrogen evolution potential of halide double perovskites Rb2TlAlX6 (X = Cl, Br, I): first-principles and AIMD approach

Rubidium (Rb)-based halide double perovskites (HDPs) possessing tunable optoelectronic features have emerged as promising substances for optoelectronic, thermoelectric, and photocatalytic hydrogen production technologies. In the present work, Rb2TlAlX6 (X = Cl, Br, and I) HDPs are reported using a first-principles appr...

A. Ayyaz, Muhammad Abaid Ullah, Hira Yaseen et al. · 0 citations
Sep 2026

First-principles study of ferromagnetism and thermoelectric aspects of Sr(Pr/Nd)2S4 spinel chalcogenides as promising aspirants for spintronic and energy applications.

This article investigates the rare-earth-doped spinel chalcogenides Sr(Pr/Nd)2S4 for spintronics and thermoelectric applications. Spin-dependent structure optimization reveals their stability in the ferromagnetic state. Tolerance factors, formation energies, ab initio molecular dynamics simulations, and phonon band str...

Ayman S. Alofi, B. A. El-Badry, Aiman Ayaz et al. · 0 citations

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