title: Small Photocarrier Effective Masses Featuring Ambipolar Transport in Methylammonium Lead Iodide Perovskite: A Density Functional Analysis.
abstract: Methylammonium lead iodide perovskite (CH3NH3PbI3) plays an important role in light absorption and carrier transport in efficient organic-inorganic perovskite solar cells. In this Letter, we report the first theoretical estimation of effective masses of photocarriers in CH3NH3PbI3. Effective masses of photogenerated electrons and holes were estimated to be me* = 0.23m0 and mh* = 0.29m0, respectively, including spin-orbit coupling effects. This result is consistent with the long-range ambipolar transport property and with the larger diffusion constant for electrons compared with that for holes in the perovskite, which enable efficient photovoltaic conversion.
authors: †Research Center for Advanced Science and Technology (RCAST), The University of Tokyo, 4-6-1 Komaba, Meguro-ku, 153-8904 Tokyo, Japan.|‡Department of Chemical System Engineering, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo, Japan.
authors: Giacomo
authors: G
authors: Giorgi
authors: †Research Center for Advanced Science and Technology (RCAST), The University of Tokyo, 4-6-1 Komaba, Meguro-ku, 153-8904 Tokyo, Japan.|§Japan Science and Technology Agency (JST), Precursory Research for Embryonic Science and Technology (PRESTO), 4-1-8 Honcho, Kawaguchi, Saitama 332-0012, Japan.
authors: Jun-Ichi
authors: J
authors: Fujisawa
authors: †Research Center for Advanced Science and Technology (RCAST), The University of Tokyo, 4-6-1 Komaba, Meguro-ku, 153-8904 Tokyo, Japan.
authors: Hiroshi
authors: H
authors: Segawa
authors: ‡Department of Chemical System Engineering, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo, Japan.
authors: Koichi
authors: K
authors: Yamashita
keywords: density functional theory; effective masses of the carriers; lead halide perovskites; spin−orbit coupling