期刊
ACS ENERGY LETTERS
卷 7, 期 6, 页码 1912-1919出版社
AMER CHEMICAL SOC
DOI: 10.1021/acsenergylett.2c00850
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资金
- Center for Hybrid Organic Inorganic Semiconductor for Energy (CHOISE), an Energy Frontier Research Center - Office of Basic Energy Sciences, Office of Science, within the U.S. Department of Energy
- DOE [DE-AC36-08GO28308]
- U.S. Department of Energy Office of Science User Facility located at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]
- NSF [ACI-1445606]
- Extreme Science and Engineering Discovery Environment (XSEDE) - NSF [ACI-1548562]
This study investigates the mechanism by which the presence of unreacted lead iodide in organic-inorganic lead halide perovskite solar cells increases the power conversion efficiency. The researchers identify the role of surfaces and interfaces between perovskite films and excess lead iodide, showing how different band alignments can lead to passivation of surface defects or hole injection. Through simulations and spectroscopy techniques, they demonstrate how excess lead iodide affects the formation of defects and recombination in perovskite solar cells.
The presence of unreacted lead iodide in organic-inorganic lead halide perovskite solar cells is widely correlated with an increase in power conversion efficiency. We investigate the mechanism for this increase by identifying the role of surfaces and interfaces present between methylammonium lead iodide perovskite films and excess lead iodide. We show how type I and II band alignments arising under different conditions result in either passivation of surface defects or hole injection. Through first-principles simulations of solid-solid interfaces, we find that lead iodide captures holes from methylammonium lead iodide and modulates the formation of defects in the perovskite, affecting recombination. Using surfacesensitive optical spectroscopy techniques, such as transient reflectance and timeresolved photoluminescence, we show how excess lead iodide affects the diffusion and surface recombination velocity of charge carriers in methylammonium lead iodide films. Our coupled experimental and theoretical results elucidate the role of excess lead iodide in perovskite solar cells.
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