Low electron-polar optical phonon scattering as a fundamental aspect of carrier mobility in methylammonium lead halide CH3NH3PbI3 perovskites
Literature Information
A. Filippetti, A. Mattoni, C. Caddeo, M. I. Saba, P. Delugas
High carrier mobility is often invoked to justify the exceptionally long diffusion length in CH3NH3PbI3 perovskites. Using a combination of an ab initio band structure and scattering models, we present clear evidence that large electrical and Hall mobilities are crucially related to the low scattering rate of carriers with polar optical phonons, which represents the dominant mobility-limiting mechanism at room temperature. With a charge-injection regime at room temperature, we obtained carrier relaxation times (τrel) of ∼10 fs, which are typical of polar inorganic semiconductors, and electrical mobilities (μ) as high as ∼60 cm2 V−1 s−1 and 40 cm2 V−1 s−1 for electrons and holes, respectively, which were robustly independent on the injected carrier density in the range of n ∼ 1014 cm−3 to 1020 cm−3. In the absence of a significant concentration of trapping centers, these mobilities foster diffusion lengths of ∼10 μm for the low injection density regime (n ∼ 1015 cm−3), which are in agreement with recent measurements for highly pure single-crystal perovskites.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.










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