Journal
ACS ENERGY LETTERS
Volume 5, Issue 1, Pages 238-247Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsenergylett.9b02395
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Funding
- Center for Hybrid Organic Inorganic Semiconductors for Energy (CHOISE), an Energy Frontier Research Center - Office of Science, Office of Basic Energy Sciences within the U.S. Department of Energy
- National Renewable Energy Laboratory [DE-AC36-08GO28308]
- China Scholarship Council
- Natural Science Foundation of Tianjin [18JCZDJC31000]
- Natural Science of Foundation China [21576140]
- U.S. Department of Energy (DOE) Solar Energy Technology Office (SETO) of the Energy Efficiency and Renewable Energy (EERE) award
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CsPbI3 nanocrystals with narrow size distributions were prepared to study the size-dependent properties. The nanocrystals adopt the perovskite (over the nonperovskite orthorhombic) structure with improved stability over thin-film materials. Among the perovskite phases (cubic alpha, tetragonal beta, and orthorhombic gamma), the samples are characterized by the gamma phase, rather than a, but may have a size-dependent average tilting between adjacent octahedra. Size-dependent lattice constants systematically vary 3% across the size range, with unit cell volume increasing linearly with the inverse of size to 2.1% for the smallest size. We estimate the surface energy to be from -3.0 to -5.1 eV nm(-2) for ligated CsPbI3 nanocrystals. Moreover, the size-dependent bandgap is best described using a nonparabolic intermediate confinement model. We experimentally determine the bulk bandgap, effective mass, and exciton binding energy, concluding with variations from the bulk alpha-phase values. This provides a robust route to understanding gamma-phase properties of CsPbI3.
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