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Иш: DFT analysis of the physical properties of direct band gap semiconducting double perovskites A ₂ BIrCl ₆ (A = Cs, Rb; B = Na, K) for solar cells and optoelectronic applications

1. Insight of thermodynamic properties by the substitution of alkali metal ions in X2InGaCl6 (X = K, Rb, Cs) perovskites: DFT calculation and AIMD simulation

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2. Computational quantum hydrogen storage properties of novel double perovskite Na2BeCdH6 hydrides: Structural, elastic, electronics, mechanical, and thermodynamics frontiers of comprehensive DFT study

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   ABIABI:AkademIndex/openalex/2025.article.010594