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Structural and Optical Properties of Solvated PbI(2) in γ-Butyrolactone: Insight into the Solution Chemistry of Lead Halide Perovskite Precursors
[Image: see text] 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-butyrolactone...
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| Publicado no: | J Phys Chem Lett |
|---|---|
| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical
Society
2020
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8009512/ https://ncbi.nlm.nih.gov/pubmed/32645264 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.0c01890 |
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