Journal
NATURE ENERGY
Volume 4, Issue 5, Pages 408-415Publisher
NATURE PUBLISHING GROUP
DOI: 10.1038/s41560-019-0382-6
Keywords
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Funding
- National Natural Science Foundation of China [51722201, 51672008, 91733301, 51673025]
- National Key Research and Development Program of China [2017YFA0206701, 2016YFB0700700]
- Natural Science Foundation of Beijing, China [4182026]
- Young Talent Thousand Program
- Beijing Municipal Science and Technology [Z181100005118002]
- Computational Sciences for Energy Research tenure track programme of Shell
- NWO
- FOM [15CST04-2]
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Defects play an important role in the degradation processes of hybrid halide perovskite absorbers, impeding their application for solar cells. Among all defects, halide anion and organic cation vacancies are ubiquitous, promoting ion diffusion and leading to thin-film decomposition at surfaces and grain boundaries. Here, we employ fluoride to simultaneously passivate both anion and cation vacancies, by taking advantage of the extremely high electronegativity of fluoride. We obtain a power conversion efficiency of 21.46% (and a certified 21.3%-efficient cell) in a device based on the caesium, methylammonium (MA) and for-mamidinium (FA) triple-cation perovskite (Cs(0.05)FA(0.54)MA(0.41))Pb(I0.98Br0.02)(3) treated with sodium fluoride. The device retains 90% of its original power conversion efficiency after 1,000 h of operation at the maximum power point. With the help of first-principles density functional theory calculations, we argue that the fluoride ions suppress the formation of halide anion and organic cation vacancies, through a unique strengthening of the chemical bonds with the surrounding lead and organic cations.
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