Beyond conventional DFT: AIMD and phonon stability, carrier physics, photocatalysis, and photovoltaic device modeling of lead-free double perovskites X2MgZnBr6 (X = Rb, Cs)

Chemical Physics 2026

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Authors: Wajeeha Noshad, Asif Nawaz Khan, Naimat Ullah Khan, Sabba Gul, Zahid Khan, Hira Javed, Adel Noubigh

DOI: 10.1016/j.chemphys.2026.113204

Cited by: 4

References: 86

Fields of Study & Subjects

Perovskite Materials and Applications Optical properties and cooling technologies in crystalline materials Thermal Expansion and Ionic Conductivity

References 86