Abstract
Recent theoretical and experimental reports have shown that the perovskite CH3NH3PbI3 exhibits unique ambipolar self-doping properties. Here, we show by density-functional theory calculation that its sister perovskite, CH3NH3PbBr3, exhibits a unipolar self-doping behavior - CH3NH3PbBr3 presents only good p-type conductivity under thermal equilibrium growth conditions. We further show that despite a large bandgap of 2.2 eV, all dominant defects in CH3NH3PbBr3 create shallow levels, which partially explains the ultra-high open-circuit voltages achieved by CH3NH3PbBr3-based thin-film solar cells. Our results suggest that the perovskite CH3NH3PbBr3 can be both an excellent solar cell absorber and a promising low-cost hole-transport material for lead halide perovskite solar cells.
Original language | American English |
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Article number | 103902 |
Number of pages | 5 |
Journal | Applied Physics Letters |
Volume | 106 |
Issue number | 10 |
DOIs | |
State | Published - 9 Mar 2015 |
Bibliographical note
Publisher Copyright:© 2015 AIP Publishing LLC.
NREL Publication Number
- NREL/JA-5900-63451