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

Whalley, Lucy, Crespo-Otero, Rachel and Walsh, Aron (2017) H-Center and V-Center Defects in Hybrid Halide Perovskites. ACS Energy Letters, 2 (12). pp. 2713-2714. ISSN 2380-8195

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Official URL: https://doi.org/10.1021/acsenergylett.7b00995

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.

Item Type: Article
Subjects: F100 Chemistry
F200 Materials Science
F300 Physics
H800 Chemical, Process and Energy Engineering
Department: Faculties > Engineering and Environment > Mathematics, Physics and Electrical Engineering
Depositing User: Elena Carlaw
Date Deposited: 23 Jun 2020 11:51
Last Modified: 23 Jun 2020 12:00
URI: http://nrl.northumbria.ac.uk/id/eprint/43555

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