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

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Title: H-Center and V-Center Defects in Hybrid Halide Perovskites
Authors: Whalley, L
Crespo-Otero, R
Walsh, A
Item Type: Journal Article
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.
Issue Date: 1-Nov-2017
Date of Acceptance: 1-Nov-2017
URI: http://hdl.handle.net/10044/1/53069
DOI: https://dx.doi.org/10.1021/acsenergylett.7b00995
ISSN: 2380-8195
Publisher: American Chemical Society
Start Page: 2713
End Page: 2714
Journal / Book Title: ACS Energy Letters
Volume: 2
Copyright Statement: This document is the Accepted Manuscript version of a Published Work that appeared in final form in ACS Energy Letters, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://dx.doi.org/10.1021/acsenergylett.7b00995
Sponsor/Funder: The Royal Society
Funder's Grant Number: UF150657
Publication Status: Published
Appears in Collections:Materials
Faculty of Engineering