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Science. 2019 Aug 16;365(6454):679-684. doi: 10.1126/science.aax3878. Epub 2019 Jul 25.

Thermal unequilibrium of strained black CsPbI3 thin films.

Author information

1
Centre for Surface Chemistry and Catalysis, KU Leuven, Celestijnenlaan 200F, Leuven 3001, Belgium. julian.steele@kuleuven.be johan.hofkens@kuleuven.be.
2
Department of Chemistry, KU Leuven, Celestijnenlaan 200F, Leuven 3001, Belgium.
3
Swiss-Norwegian Beamlines at the European Synchrotron Radiation Facility, 71 Avenue des Martyrs, F-38000 Grenoble, France.
4
Department of Chemistry, Western Washington University, 516 High Street, Bellingham, WA 98225, USA.
5
Center for Molecular Modeling (CMM), Ghent University, Technologiepark 46, 9052 Zwijnaarde, Belgium.
6
Department of Electrical and Computer Engineering, University of Toronto, 35 St. George Street, Toronto, Ontario M5S 1A4, Canada.
7
Departamento de Química Física, Facultad de Farmacia, Universidad de Castilla-La Mancha, 02071 Albacete, Spain.
8
NCD-SWEET Beamline, ALBA Synchrotron Light Source, Cerdanyola del Vallès, Barcelona 08290, Spain.
9
Polymer Chemistry and Materials, KU Leuven, Celestijnenlaan 200F, Leuven 3001, Belgium.
10
Centre for Surface Chemistry and Catalysis, KU Leuven, Celestijnenlaan 200F, Leuven 3001, Belgium.
11
National Laboratory of Solid State Microstructures, Jiangsu Key Laboratory of Artificial Functional Materials, College of Engineering and Applied Sciences, Nanjing University, Nanjing 210093, China.
12
Department of Materials Science and Engineering, University of Toronto, 184 College Street, Toronto, Ontario M5S 3G4, Canada.
13
Department of Chemistry, KU Leuven, Celestijnenlaan 200F, Leuven 3001, Belgium. julian.steele@kuleuven.be johan.hofkens@kuleuven.be.

Abstract

The high-temperature, all-inorganic CsPbI3 perovskite black phase is metastable relative to its yellow, nonperovskite phase at room temperature. Because only the black phase is optically active, this represents an impediment for the use of CsPbI3 in optoelectronic devices. We report the use of substrate clamping and biaxial strain to render black-phase CsPbI3 thin films stable at room temperature. We used synchrotron-based, grazing incidence, wide-angle x-ray scattering to track the introduction of crystal distortions and strain-driven texture formation within black CsPbI3 thin films when they were cooled after annealing at 330°C. The thermal stability of black CsPbI3 thin films is vastly improved by the strained interface, a response verified by ab initio thermodynamic modeling.

PMID:
31346140
DOI:
10.1126/science.aax3878

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