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Title: Size-Dependent Lattice Structure and Confinement Properties in CsPbI3 Perovskite Nanocrystals: Negative Surface Energy for Stabilization

Journal Article · · ACS Energy Letters

CsPbI3 nanocrystals with narrow size distributions were readied 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 α, tetragonal β, and orthorhombic γ), the samples are characterized by the γ phase, rather than α, 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 a-phase values. This provides a robust route to understanding ..gamma..-phase properties of CsPbI3.

Research Organization:
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States); Energy Frontier Research Centers (EFRC) (United States). Center for Hybrid Organic-Inorganic Semiconductors for Energy (CHOISE); National Renewable Energy Laboratory (NREL), Golden, CO (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); China Scholarship Council (CSC); Natural Science Foundation of Tianjin; National Natural Science Foundation of China (NSFC); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office
Grant/Contract Number:
AC02-76SF00515; AC36-08GO28308
OSTI ID:
1595568
Alternate ID(s):
OSTI ID: 1634005
Report Number(s):
NREL/JA-5900-74571; TRN: US2201283
Journal Information:
ACS Energy Letters, Vol. 5, Issue 1; ISSN 2380-8195
Publisher:
American Chemical Society (ACS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 172 works
Citation information provided by
Web of Science

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