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Thermal unequilibrium of strained black CsPbI3 thin films

Julian A. Steele, Handong Jin, Iurii Dovgaliuk, Robert F. Berger, Tom Braeckevelt (UGent) , Haifeng Yuan, Cristina Martin, Eduardo Solano Minuesa (UGent) , Kurt Lejaeghere (UGent) , Sven Rogge (UGent) , et al.
(2019) SCIENCE. 365(6454). p.679-684
Author
Organization
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  • DYNPOR (First principle molecular dynamics simulations for complex chemical transformations in nanoporous materials)
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 degrees C. The thermal stability of black CsPbI3 thin films is vastly improved by the strained interface, a response verified by ab initio thermodynamic modeling.
Keywords
Multidisciplinary, TOTAL-ENERGY CALCULATIONS, PEROVSKITE, CESIUM, EFFICIENCY, CELLS, FORMAMIDINIUM, ALPHA-CSPBI3, TOLERANCE, STABILITY, TRIHALIDE

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Citation

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MLA
Steele, Julian A., et al. “Thermal Unequilibrium of Strained Black CsPbI3 Thin Films.” SCIENCE, vol. 365, no. 6454, 2019, pp. 679–84, doi:10.1126/science.aax3878.
APA
Steele, J. A., Jin, H., Dovgaliuk, I., Berger, R. F., Braeckevelt, T., Yuan, H., … Roeffaers, M. B. J. (2019). Thermal unequilibrium of strained black CsPbI3 thin films. SCIENCE, 365(6454), 679–684. https://doi.org/10.1126/science.aax3878
Chicago author-date
Steele, Julian A., Handong Jin, Iurii Dovgaliuk, Robert F. Berger, Tom Braeckevelt, Haifeng Yuan, Cristina Martin, et al. 2019. “Thermal Unequilibrium of Strained Black CsPbI3 Thin Films.” SCIENCE 365 (6454): 679–84. https://doi.org/10.1126/science.aax3878.
Chicago author-date (all authors)
Steele, Julian A., Handong Jin, Iurii Dovgaliuk, Robert F. Berger, Tom Braeckevelt, Haifeng Yuan, Cristina Martin, Eduardo Solano Minuesa, Kurt Lejaeghere, Sven Rogge, Charlotte Notebaert, Wouter Vandezande, Kris P. F. Janssen, Bart Goderis, Elke Debroye, Ya-Kun Wang, Yitong Dong, Dongxin Ma, Makhsud Saidaminov, Hairen Tan, Zhenghong Lu, Vadim Dyadkin, Dmitry Chernyshov, Veronique Van Speybroeck, Edward H. Sargent, Johan Hofkens, and Maarten B. J. Roeffaers. 2019. “Thermal Unequilibrium of Strained Black CsPbI3 Thin Films.” SCIENCE 365 (6454): 679–684. doi:10.1126/science.aax3878.
Vancouver
1.
Steele JA, Jin H, Dovgaliuk I, Berger RF, Braeckevelt T, Yuan H, et al. Thermal unequilibrium of strained black CsPbI3 thin films. SCIENCE. 2019;365(6454):679–84.
IEEE
[1]
J. A. Steele et al., “Thermal unequilibrium of strained black CsPbI3 thin films,” SCIENCE, vol. 365, no. 6454, pp. 679–684, 2019.
@article{8632155,
  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 degrees C. The thermal stability of black CsPbI3 thin films is vastly improved by the strained interface, a response verified by ab initio thermodynamic modeling.}},
  author       = {{Steele, Julian A. and Jin, Handong and Dovgaliuk, Iurii and Berger, Robert F. and Braeckevelt, Tom and Yuan, Haifeng and Martin, Cristina and Solano Minuesa, Eduardo and Lejaeghere, Kurt and Rogge, Sven and Notebaert, Charlotte and Vandezande, Wouter and Janssen, Kris P. F. and Goderis, Bart and Debroye, Elke and Wang, Ya-Kun and Dong, Yitong and Ma, Dongxin and Saidaminov, Makhsud and Tan, Hairen and Lu, Zhenghong and Dyadkin, Vadim and Chernyshov, Dmitry and Van Speybroeck, Veronique and Sargent, Edward H. and Hofkens, Johan and Roeffaers, Maarten B. J.}},
  issn         = {{0036-8075}},
  journal      = {{SCIENCE}},
  keywords     = {{Multidisciplinary,TOTAL-ENERGY CALCULATIONS,PEROVSKITE,CESIUM,EFFICIENCY,CELLS,FORMAMIDINIUM,ALPHA-CSPBI3,TOLERANCE,STABILITY,TRIHALIDE}},
  language     = {{eng}},
  number       = {{6454}},
  pages        = {{679--684}},
  title        = {{Thermal unequilibrium of strained black CsPbI3 thin films}},
  url          = {{http://doi.org/10.1126/science.aax3878}},
  volume       = {{365}},
  year         = {{2019}},
}
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