Anharmonicity and Disorder in the Black Phases of CsPbI3 used for Stable Inorganic Perovskite Solar Cells

Arthur Marronnier, Guido Roma, Soline Boyer-Richard, Laurent Pedesseau, Jean Marc Jancu, Van Bonnassieux, Claudine Katan, Constantinos C. Stoumpos, Mercouri G. Kanatzidis, Jacky Even

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Hybrid perovskite materials have emerged over the past five years as absorber layers for new high-efficiency yet low-cost solar cells (PSCs) that combine the advantages of organic and inorganic semiconductors. Here, employing the linear response (DFPT) approach of Density Functional Theory (DFT) and frozen phonon calculations, we reveal strong anharmonic effects in the inorganic CsPbI3 perovskite. We also show through high resolution in-situ synchrotron XRD measurements that CsPbI3 can be undercooled below its transition temperature and temporarily maintained in its perovskite structure down to room temperature, stabilizing a metastable perovskite polytype (black γ-phase) crucial for photovoltaic applications. Among the four phases of CsPbI3, we found that this phase is the only one to behave harmonically around equilibrium. Last, we explain the Rashba effect in these materials as a consequence of the symmetry breaking induced by the double-well instabilities.

Original languageEnglish (US)
Title of host publication2018 IEEE 7th World Conference on Photovoltaic Energy Conversion, WCPEC 2018 - A Joint Conference of 45th IEEE PVSC, 28th PVSEC and 34th EU PVSEC
PublisherInstitute of Electrical and Electronics Engineers Inc.
Pages1715-1717
Number of pages3
ISBN (Electronic)9781538685297
DOIs
StatePublished - Nov 26 2018
Event7th IEEE World Conference on Photovoltaic Energy Conversion, WCPEC 2018 - Waikoloa Village, United States
Duration: Jun 10 2018Jun 15 2018

Publication series

Name2018 IEEE 7th World Conference on Photovoltaic Energy Conversion, WCPEC 2018 - A Joint Conference of 45th IEEE PVSC, 28th PVSEC and 34th EU PVSEC

Other

Other7th IEEE World Conference on Photovoltaic Energy Conversion, WCPEC 2018
CountryUnited States
CityWaikoloa Village
Period6/10/186/15/18

Fingerprint

Perovskite
Synchrotrons
Superconducting transition temperature
Density functional theory
Solar cells
Semiconductor materials
Perovskite solar cells
perovskite
Costs
Temperature

ASJC Scopus subject areas

  • Energy Engineering and Power Technology
  • Renewable Energy, Sustainability and the Environment
  • Electrical and Electronic Engineering
  • Electronic, Optical and Magnetic Materials

Cite this

Marronnier, A., Roma, G., Boyer-Richard, S., Pedesseau, L., Jancu, J. M., Bonnassieux, V., ... Even, J. (2018). Anharmonicity and Disorder in the Black Phases of CsPbI3 used for Stable Inorganic Perovskite Solar Cells. In 2018 IEEE 7th World Conference on Photovoltaic Energy Conversion, WCPEC 2018 - A Joint Conference of 45th IEEE PVSC, 28th PVSEC and 34th EU PVSEC (pp. 1715-1717). [8547769] (2018 IEEE 7th World Conference on Photovoltaic Energy Conversion, WCPEC 2018 - A Joint Conference of 45th IEEE PVSC, 28th PVSEC and 34th EU PVSEC). Institute of Electrical and Electronics Engineers Inc.. https://doi.org/10.1109/PVSC.2018.8547769
Marronnier, Arthur ; Roma, Guido ; Boyer-Richard, Soline ; Pedesseau, Laurent ; Jancu, Jean Marc ; Bonnassieux, Van ; Katan, Claudine ; Stoumpos, Constantinos C. ; Kanatzidis, Mercouri G. ; Even, Jacky. / Anharmonicity and Disorder in the Black Phases of CsPbI3 used for Stable Inorganic Perovskite Solar Cells. 2018 IEEE 7th World Conference on Photovoltaic Energy Conversion, WCPEC 2018 - A Joint Conference of 45th IEEE PVSC, 28th PVSEC and 34th EU PVSEC. Institute of Electrical and Electronics Engineers Inc., 2018. pp. 1715-1717 (2018 IEEE 7th World Conference on Photovoltaic Energy Conversion, WCPEC 2018 - A Joint Conference of 45th IEEE PVSC, 28th PVSEC and 34th EU PVSEC).
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Marronnier, A, Roma, G, Boyer-Richard, S, Pedesseau, L, Jancu, JM, Bonnassieux, V, Katan, C, Stoumpos, CC, Kanatzidis, MG & Even, J 2018, Anharmonicity and Disorder in the Black Phases of CsPbI3 used for Stable Inorganic Perovskite Solar Cells. in 2018 IEEE 7th World Conference on Photovoltaic Energy Conversion, WCPEC 2018 - A Joint Conference of 45th IEEE PVSC, 28th PVSEC and 34th EU PVSEC., 8547769, 2018 IEEE 7th World Conference on Photovoltaic Energy Conversion, WCPEC 2018 - A Joint Conference of 45th IEEE PVSC, 28th PVSEC and 34th EU PVSEC, Institute of Electrical and Electronics Engineers Inc., pp. 1715-1717, 7th IEEE World Conference on Photovoltaic Energy Conversion, WCPEC 2018, Waikoloa Village, United States, 6/10/18. https://doi.org/10.1109/PVSC.2018.8547769

Anharmonicity and Disorder in the Black Phases of CsPbI3 used for Stable Inorganic Perovskite Solar Cells. / Marronnier, Arthur; Roma, Guido; Boyer-Richard, Soline; Pedesseau, Laurent; Jancu, Jean Marc; Bonnassieux, Van; Katan, Claudine; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.; Even, Jacky.

2018 IEEE 7th World Conference on Photovoltaic Energy Conversion, WCPEC 2018 - A Joint Conference of 45th IEEE PVSC, 28th PVSEC and 34th EU PVSEC. Institute of Electrical and Electronics Engineers Inc., 2018. p. 1715-1717 8547769 (2018 IEEE 7th World Conference on Photovoltaic Energy Conversion, WCPEC 2018 - A Joint Conference of 45th IEEE PVSC, 28th PVSEC and 34th EU PVSEC).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

TY - GEN

T1 - Anharmonicity and Disorder in the Black Phases of CsPbI3 used for Stable Inorganic Perovskite Solar Cells

AU - Marronnier, Arthur

AU - Roma, Guido

AU - Boyer-Richard, Soline

AU - Pedesseau, Laurent

AU - Jancu, Jean Marc

AU - Bonnassieux, Van

AU - Katan, Claudine

AU - Stoumpos, Constantinos C.

AU - Kanatzidis, Mercouri G.

AU - Even, Jacky

PY - 2018/11/26

Y1 - 2018/11/26

N2 - Hybrid perovskite materials have emerged over the past five years as absorber layers for new high-efficiency yet low-cost solar cells (PSCs) that combine the advantages of organic and inorganic semiconductors. Here, employing the linear response (DFPT) approach of Density Functional Theory (DFT) and frozen phonon calculations, we reveal strong anharmonic effects in the inorganic CsPbI3 perovskite. We also show through high resolution in-situ synchrotron XRD measurements that CsPbI3 can be undercooled below its transition temperature and temporarily maintained in its perovskite structure down to room temperature, stabilizing a metastable perovskite polytype (black γ-phase) crucial for photovoltaic applications. Among the four phases of CsPbI3, we found that this phase is the only one to behave harmonically around equilibrium. Last, we explain the Rashba effect in these materials as a consequence of the symmetry breaking induced by the double-well instabilities.

AB - Hybrid perovskite materials have emerged over the past five years as absorber layers for new high-efficiency yet low-cost solar cells (PSCs) that combine the advantages of organic and inorganic semiconductors. Here, employing the linear response (DFPT) approach of Density Functional Theory (DFT) and frozen phonon calculations, we reveal strong anharmonic effects in the inorganic CsPbI3 perovskite. We also show through high resolution in-situ synchrotron XRD measurements that CsPbI3 can be undercooled below its transition temperature and temporarily maintained in its perovskite structure down to room temperature, stabilizing a metastable perovskite polytype (black γ-phase) crucial for photovoltaic applications. Among the four phases of CsPbI3, we found that this phase is the only one to behave harmonically around equilibrium. Last, we explain the Rashba effect in these materials as a consequence of the symmetry breaking induced by the double-well instabilities.

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U2 - 10.1109/PVSC.2018.8547769

DO - 10.1109/PVSC.2018.8547769

M3 - Conference contribution

AN - SCOPUS:85059898994

T3 - 2018 IEEE 7th World Conference on Photovoltaic Energy Conversion, WCPEC 2018 - A Joint Conference of 45th IEEE PVSC, 28th PVSEC and 34th EU PVSEC

SP - 1715

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BT - 2018 IEEE 7th World Conference on Photovoltaic Energy Conversion, WCPEC 2018 - A Joint Conference of 45th IEEE PVSC, 28th PVSEC and 34th EU PVSEC

PB - Institute of Electrical and Electronics Engineers Inc.

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Marronnier A, Roma G, Boyer-Richard S, Pedesseau L, Jancu JM, Bonnassieux V et al. Anharmonicity and Disorder in the Black Phases of CsPbI3 used for Stable Inorganic Perovskite Solar Cells. In 2018 IEEE 7th World Conference on Photovoltaic Energy Conversion, WCPEC 2018 - A Joint Conference of 45th IEEE PVSC, 28th PVSEC and 34th EU PVSEC. Institute of Electrical and Electronics Engineers Inc. 2018. p. 1715-1717. 8547769. (2018 IEEE 7th World Conference on Photovoltaic Energy Conversion, WCPEC 2018 - A Joint Conference of 45th IEEE PVSC, 28th PVSEC and 34th EU PVSEC). https://doi.org/10.1109/PVSC.2018.8547769