Journal
NANO LETTERS
Volume 15, Issue 5, Pages 3103-3108Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.nanolett.5b00109
Keywords
Solar cells; density functional theory; many-body perturbation theory; mixed organic-inorganic halide perovskites; carrier lifetime
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Funding
- JSPS [24-7666]
- Grants-in-Aid for Scientific Research [12J07666] Funding Source: KAKEN
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We report on an analysis of hot-carrier lifetimes from electron-phonon interaction in lead iodide perovskites using first principles calculations. Our calculations show that the holes. in CsPbI3 have very tong lifetimes in the valence band region situated 0.6 eV below the top of the valence band. On the other hand; no long lifetime is predicted in PbI3-. These different results reflect the different electronic density of states (DOSs) in the valence bands, that is, a small DOS for the former structure While a sharp DOS peak for the latter structure. We propose a reduction of the relaxation paths in the small valence DOS as' being the origin of the slow hot-hole cooling. Analyzing the generalized Eliashberg functions, we predict that different perovskite A-site cations do not have an impact on the cattier decay mechanism. The similarity between the DOS structures of CsPbI3 and CH3NH3PbI3 enables us to extend the description of the decay mechanism of fully inorganic CsPbI3 to its organic-inorganic counterpart, CH3NH3PbI3.
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