Structural and Optical Properties of Solvated PbI<sub>2</sub> in γ-Butyrolactone: Insight into the Solution Chemistry of Lead Halide Perovskite Precursors
<p dir="ltr">We employ a fine-tuned theoretical framework, combining ab initio molecular dynamics (AIMD), density functional theory (DFT), and time-dependent (TD) DFT methods, to investigate the interactions and optical properties of the iodoplumbates within the low coordinative γ-bu...
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2020
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