title: Intrinsic and Extrinsic Charge Transport in CH3NH3PbI3 Perovskites Predicted from First-Principles.
abstract: Both intrinsic and extrinsic charge transport properties of methylammonium lead triiodide perovskites are investigated from first-principles. The weak electron-phonon couplings are revealed, with the largest deformation potential (~ 5 eV) comparable to that of single layer graphene. The intrinsic mobility limited by the acoustic phonon scattering is as high as a few thousands cm(2) V(-1) s(-1) with the hole mobility larger than the electron mobility. At the impurity density of 10(18) cm(-3), the charged impurity scattering starts to dominate and lowers the electron mobility to 101 cm(2) V(-1) s(-1) and the hole mobility to 72.2 cm(2) V(-1) s(-1). The high intrinsic mobility warrants the long and balanced diffusion length of charge carriers. With the control of impurities or defects as well as charge traps in these perovskites, enhanced efficiencies of solar cells with simplified device structures are promised.
authors.affiliation: MOE Key Laboratory of Organic OptoElectronics and Molecular Engineering, Department of Chemistry, Tsinghua University, Beijing 100084, P.R. China.
authors.forename: Tianqi
authors.initials: T
authors.lastname: Zhao
authors.affiliation: MOE Key Laboratory of Organic OptoElectronics and Molecular Engineering, Department of Chemistry, Tsinghua University, Beijing 100084, P.R. China.
authors.forename: Wen
authors.initials: W
authors.lastname: Shi
authors.affiliation: MOE Key Laboratory of Organic OptoElectronics and Molecular Engineering, Department of Chemistry, Tsinghua University, Beijing 100084, P.R. China.
authors.forename: Jinyang
authors.initials: J
authors.lastname: Xi
authors.affiliation: MOE Key Laboratory of Organic OptoElectronics and Molecular Engineering, Department of Chemistry, Tsinghua University, Beijing 100084, P.R. China.
authors.forename: Dong
authors.initials: D
authors.lastname: Wang
authors.affiliation: MOE Key Laboratory of Organic OptoElectronics and Molecular Engineering, Department of Chemistry, Tsinghua University, Beijing 100084, P.R. China.|Key Laboratory of Organic Solids, Beijing National Laboratory for Molecular Science (BNLMS), Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P.R. China.|Collaborative Innovation Center of Chemistry for Energy Materials, Xiamen University, 351005 Xiamen, China.
authors.forename: Zhigang
authors.initials: Z
authors.lastname: Shuai
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