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Unlocking the physical properties of RbXBr3 (X = Ba, Be) halide perovskites for potential applications: DFT study
Amir Ullah, Nasir Rahman, Mudasser Husain, Khamael M. Abualnaja, Ghaida Alosaimi, Soufyane Belhachi, Bashar M. Al-Khamiseh, Vineet Tirth, Ahmed Azzouz-Rached, Hanan A. Althobaiti, Mohammad Nasir, Farooq Ali and Muneeb Ur Rahman Inorganic Chemistry Communications 173 113879 (2025) https://doi.org/10.1016/j.inoche.2024.113879
Exploring layer-dependent photocatalytic and optoelectronic properties of MoS2 for hydrogen production through DFT analysis
Mounia Achqraoui, Naoual Bekkioui, Houda Jebari and Hamid Ez-Zahraouy Journal of Physics and Chemistry of Solids 199 112543 (2025) https://doi.org/10.1016/j.jpcs.2024.112543
First-principles study of triaxial strain effect on structural, mechanical, electronic, optical, and photocatalytic properties of K2SeBr6 for solar hydrogen production
First-principles studies of structural, vibrational, elastic, optoelectronic, and thermoelectric properties of doped, alloyed, and strained CsGeCl3 for photovoltaic applications