H-Center and V-Center Defects in Hybrid Halide Perovskites

Lucy D. Whalley; Rachel Crespo-Otero; Aron Walsh

doi:10.1021/acsenergylett.7b00995

H-Center and V-Center Defects in Hybrid Halide Perovskites

Lucy D. Whalley, Rachel Crespo-Otero, Aron Walsh

Department of Physics

Research output: Contribution to journal › Article › peer-review

49 Scopus citations

Abstract

The self-trapping of holes with the formation of a molecular X₂ ^- anion is a well-established process in metal halide (MX) crystals, but V-center (2X^- + h⁺ X2^-) and H-center (X^- + Xi^- + h⁺ X2^-) defects have not yet been confirmed in halide perovskite semiconductors. The I₂ ^- split-interstitial defect is predicted to be a spin radical in CH₃NH₃PbI₃ with an optically excited state in the semiconductor band gap.

Original language	English
Pages (from-to)	2713-2714
Number of pages	2
Journal	ACS Energy Letters
Volume	2
Issue number	12
DOIs	https://doi.org/10.1021/acsenergylett.7b00995
State	Published - 8 Dec 2017

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© 2017 American Chemical Society.

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title = "H-Center and V-Center Defects in Hybrid Halide Perovskites",

abstract = "The self-trapping of holes with the formation of a molecular X2 - anion is a well-established process in metal halide (MX) crystals, but V-center (2X- + h+ X2-) and H-center (X- + Xi- + h+ X2-) defects have not yet been confirmed in halide perovskite semiconductors. The I2 - split-interstitial defect is predicted to be a spin radical in CH3NH3PbI3 with an optically excited state in the semiconductor band gap.",

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AB - The self-trapping of holes with the formation of a molecular X2 - anion is a well-established process in metal halide (MX) crystals, but V-center (2X- + h+ X2-) and H-center (X- + Xi- + h+ X2-) defects have not yet been confirmed in halide perovskite semiconductors. The I2 - split-interstitial defect is predicted to be a spin radical in CH3NH3PbI3 with an optically excited state in the semiconductor band gap.

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H-Center and V-Center Defects in Hybrid Halide Perovskites

Abstract

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