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Integrating SCAPS with DFT: A comprehensive study of LiMgAs for high-performance solar cells
Nikhil Shrivastav, Paola Alexandra Ortiz Encalada, Junainah Abd Hamid, Jaya Madan and Rahul Pandey Chemical Physics Letters 865 141922 (2025) https://doi.org/10.1016/j.cplett.2025.141922
Engineering optoelectronic properties of the Pb-free perovskite FASiBr3 − XIX (X = 0, 1, 2 or 3) for photovoltaic applications: first principle analysis
Spin–Orbit Coupling Effect Bandgaps Engineering of the Lead‐Free Perovskites FABI3 (B = Sn or Ge) Materials for Tandem Solar Cells: First Principle Investigation of Structural and Electronic Properties
A DFT and Time-dependent DFT Investigation of the Structural, Electronic and Optical Properties of Lead-free FAMgI3 Perovskite for Photovoltaic Applications
New narrow band gap of silicon-based perovskite FASiI3 for photovoltaic applications: first principle investigations of the structural, electronic and optical properties