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

SUBMITTER: Zhao T 

PROVIDER: S-EPMC4731798 | biostudies-literature | 2016 Jan

REPOSITORIES: biostudies-literature