The Nature of Electron Mobility in Hybrid Perovskite CH3NH3PbI3

Ma, Jie; Wang, Lin-Wang

doi:10.1021/acs.nanolett.7b00832

Title: The Nature of Electron Mobility in Hybrid Perovskite CH₃NH₃PbI₃

Journal Article · Tue May 23 00:00:00 EDT 2017 · Nano Letters

DOI:https://doi.org/10.1021/acs.nanolett.7b00832· OSTI ID:1476502

^[1]; Wang, Lin-Wang ^[2]

Beijing Inst. of Technology (China). School of Physics and Advanced Research Inst. for Multidisciplinary Science; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Joint Center for Artificial Photosynthesis and Chemical Sciences Div.; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Div.
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Joint Center for Artificial Photosynthesis and Chemical Sciences Div.; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Div.

The peroskovite CH₃NH₃PbI₃ one of the most promising candidates for cheap and high-efficiency solar cells. One of its unique features is the long carrier diffusion length (>100 μm), but its carrier mobility is rather modest. The nature of the mobility is unclear. Here, using nonadiabatic wave function dynamics simulations, we show that the random rotations of the CH₃NH₃cations play an important role in the carrier mobility. Our previous work showed that the electron and hole wave functions were localized and spatially separated due to the random orientations of the CH₃NH₃ cations in the tetragonal phase. We find that the localized carriers are able to conduct random walks due to the electrostatic potential fluctuation caused by the CH₃NH₃ random rotations. The calculated electron mobilities are in the experimentally measured range. We thus conclude that the carrier mobility of CH₃NH₃PbI₃ is likely driven by the dynamic disorder that causes the fluctuation of the electrostatic potential.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22), Chemical Sciences, Geosciences & Biosciences Division (SC-22.1)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1476502

Journal Information:: Nano Letters, Vol. 17, Issue 6; ISSN 1530-6984

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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