Author

Hesham M. Enshasy

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Oct 2026

Ab Initio Investigation of Lead-Free A 2 AlAgX 6 (A = Cs, Rb; X = F, Cl, Br) Double Perovskites for Photocatalytic and Optoelectronic Applications

The growing demand for sustainable energy technologies has accelerated the search for highefficiency, low-cost, and environmentally benign photovoltaic materials. In this work, a comprehensive first-principles density functional theory (DFT) investigation is performed on leadfree double halide perovskites A 2 AlAgX...

M. S. Ahmad, Istiak Ahmed Ovi, K. M. Hossain et al. · Modern physics letters B · 0 citations

Sep 2026

Computational Investigation of Perovskite Hydrides XLiH 3 (X = Fe, Co, Ni) for Solid-State Hydrogen Storage

In this study, three novel perovskite compounds XLiH 3 (X = Fe, Co, Ni) have been investigated for H 2 storage applications. DFT is incorporated to predict the structural, electronic, thermal, mechanical, and optical properties for hydrogen storage applications. The compounds were optimized at every stage of the...

Wasif Abu Dujana, Md Saiduzzaman, Md. Shahariar Kabir et al. · Modern physics letters B · 0 citations