Dipolar cations confer defect tolerance in wide-bandgap metal halide perovskites

Hairen Tan (), Fanglin Che, Mingyang Wei, Yicheng Zhao, Makhsud I. Saidaminov, Petar Todorović, Danny Broberg, Grant Walters, Furui Tan, Taotao Zhuang, Bin Sun, Zhiqin Liang, Haifeng Yuan, Eduard Fron, Junghwan Kim, Zhenyu Yang, Oleksandr Voznyy, Mark Asta and Edward H. Sargent ()
Additional contact information
Hairen Tan: University of Toronto
Fanglin Che: University of Toronto
Mingyang Wei: University of Toronto
Yicheng Zhao: University of Toronto
Makhsud I. Saidaminov: University of Toronto
Petar Todorović: University of Toronto
Danny Broberg: University of California
Grant Walters: University of Toronto
Furui Tan: University of Toronto
Taotao Zhuang: University of Toronto
Bin Sun: University of Toronto
Zhiqin Liang: University of Toronto
Haifeng Yuan: University of Toronto
Eduard Fron: KU Leuven
Junghwan Kim: University of Toronto
Zhenyu Yang: University of Toronto
Oleksandr Voznyy: University of Toronto
Mark Asta: University of California
Edward H. Sargent: University of Toronto

Nature Communications, 2018, vol. 9, issue 1, 1-10

Abstract: Abstract Efficient wide-bandgap perovskite solar cells (PSCs) enable high-efficiency tandem photovoltaics when combined with crystalline silicon and other low-bandgap absorbers. However, wide-bandgap PSCs today exhibit performance far inferior to that of sub-1.6-eV bandgap PSCs due to their tendency to form a high density of deep traps. Here, we show that healing the deep traps in wide-bandgap perovskites—in effect, increasing the defect tolerance via cation engineering—enables further performance improvements in PSCs. We achieve a stabilized power conversion efficiency of 20.7% for 1.65-eV bandgap PSCs by incorporating dipolar cations, with a high open-circuit voltage of 1.22 V and a fill factor exceeding 80%. We also obtain a stabilized efficiency of 19.1% for 1.74-eV bandgap PSCs with a high open-circuit voltage of 1.25 V. From density functional theory calculations, we find that the presence and reorientation of the dipolar cation in mixed cation–halide perovskites heals the defects that introduce deep trap states.

Date: 2018
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DOI: 10.1038/s41467-018-05531-8

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