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Title: Unusual defect physics in CH{sub 3}NH{sub 3}PbI{sub 3} perovskite solar cell absorber

Thin-film solar cells based on Methylammonium triiodideplumbate (CH{sub 3}NH{sub 3}PbI{sub 3}) halide perovskites have recently shown remarkable performance. First-principle calculations show that CH{sub 3}NH{sub 3}PbI{sub 3} has unusual defect physics: (i) Different from common p-type thin-film solar cell absorbers, it exhibits flexible conductivity from good p-type, intrinsic to good n-type depending on the growth conditions; (ii) Dominant intrinsic defects create only shallow levels, which partially explain the long electron-hole diffusion length and high open-circuit voltage in solar cell. The unusual defect properties can be attributed to the strong Pb lone-pair s orbital and I p orbital antibonding coupling and the high ionicity of CH{sub 3}NH{sub 3}PbI{sub 3}.
Authors:
; ;  [1]
  1. Department of Physics and Astronomy and Center for Photovoltaics Innovation and Commercialization, The University of Toledo, Toledo, Ohio 43606 (United States)
Publication Date:
OSTI Identifier:
22283199
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 104; Journal Issue: 6; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; AMMONIUM COMPOUNDS; COUPLING; DIFFUSION LENGTH; ELECTRIC CONDUCTIVITY; ELECTRIC POTENTIAL; HOLES; LEAD IODIDES; N-TYPE CONDUCTORS; ORGANIC COMPOUNDS; PEROVSKITE; P-TYPE CONDUCTORS; SOLAR CELLS; THIN FILMS