Expanded Analogs of Three-Dimensional Lead-Halide Hybrid Perovskites [electronic resource]
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| Online Access: |
Full Text (via OSTI) |
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| Format: | Government Document Electronic eBook |
| Language: | English |
| Published: |
Washington, D.C. : Oak Ridge, Tenn. :
United States. Department of Energy. Office of Science ; Distributed by the Office of Scientific and Technical Information, U.S. Department of Energy,
2020.
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| Subjects: |
| Abstract: | Replacing the Pb-X octahedral building unit of A<sup>I</sup>PbX<sub>3</sub> perovskites (X=halide) with a pair of edge-sharing Pb-X octahedra affords the expanded perovskite analogs: A<sup>II</sup>Pb<sub>2</sub>X<sub>6</sub>. We report seven members of this new family of materials. In 3D hybrid perovskites, orbitals from the organic molecules do not participate in the band edges. In contrast, the more spacious inorganic sublattice of the expanded analogs accommodates larger pyrazinium-based cations with low-lying ?* orbitals that form the conduction band, substantially decreasing the band gap of the expanded lattice. The molecular nature of the conduction band allows us to electronically dope the materials by reducing the organic molecules. By synthesizing derivatives with AII=pyridinium and ammonium, we can isolate the contributions of the pyrazinium-based orbitals in the band gap transition of A<sup>II</sup>Pb<sub>2</sub>X<sub>6</sub>. The organic-molecule-based conduction band and the inorganic-ion-based valence band provide an unusual electronic platform with localized states for electrons and more disperse bands for holes upon optical or thermal excitation. |
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| Item Description: | Published through Scitech Connect. 08/26/2020. "Journal ID: ISSN 1433-7851." ": US2206786." Umeyama, Daiki ; Leppert, Linn ; Connor, Bridget A. ; Manumpil, Mary Anne ; Neaton, Jeffrey B. ; Karunadasa, Hemamala I. ; SLAC National Accelerator Lab., Menlo Park, CA (United States) |
| Physical Description: | Size: p. 19087-19094 : digital, PDF file. |