Science · 2024 · 166 citations · 76 references
Natural SciencesMaterials EngineeringMaterials ScienceEnergy MaterialsMaterials ChemistrySemiconductor MaterialsPerovskite MaterialsPhotovoltaic DevicesPhotovoltaic MaterialsSemiconductor DefectsSolar Cell MaterialsSolar CellsCharge RecombinationCharge TransportNonradiative RecombinationPassivation Of PerovskitesPerovskite Solar CellsPhotoluminescencePhotoluminescence Quantum YieldRelative Humidity Effects
The efficiency and longevity of metal-halide perovskite solar cells are typically dictated by nonradiative defect-mediated charge recombination. In this work, we demonstrate a vapor-based amino-silane passivation that reduces photovoltage deficits to around 100 millivolts (>90% of the thermodynamic limit) in perovskite solar cells of bandgaps between 1.6 and 1.8 electron volts, which is crucial for tandem applications. A primary-, secondary-, or tertiary-amino-silane alone negatively or barely affected perovskite crystallinity and charge transport, but amino-silanes that incorporate primary and secondary amines yield up to a 60-fold increase in photoluminescence quantum yield and preserve long-range conduction. Amino-silane-treated devices retained 95% power conversion efficiency for more than 1500 hours under full-spectrum sunlight at 85°C and open-circuit conditions in ambient air with a relative humidity of 50 to 60%.
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Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
Natural Sciences, Chemistry, Physics +17