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Author

Samar O. Aljazzar

2 papers indexed here

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Oct 2026

DFT-based computational screening of the ability of C60-based nanostructures to adsorb the diethylcyclidine drug.

Dieticyclidine (DTC) is a psychoactive compound for which efficient capture and identification remain analytically relevant. In this study, density functional theory calculations were used to comparatively screen pristine C60 and the substitutionally doped BC59 and SiC59 nanocages as candidate platforms for DTC adsorpt...

Samar O. Aljazzar, J. Al-Humaidi, Y. Mukhrish et al. · 0 citations
Open access Sep 2026

First-principles discovery of multifunctional K2NaRhX6 (X = F, Cl, Br, I) halide double perovskites for photovoltaic and photocatalytic applications

Lead-free halide double perovskites have emerged as attractive multifunctional materials for sustainable energy conversion owing to their compositional flexibility and tunable electronic structures. Herein, a comprehensive first-principles investigation combined with SCAPS-1D device simulations is performed to explore...

Imtiaz Ahamed Apon, Gargee Mollika Suchi, R. Rafiu et al. · 0 citations

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