H-Center and V-Center Defects in Hybrid Halide Perovskites
File(s)VH_Defects_V5.pdf (615.72 KB)
Accepted version
Author(s)
Whalley, L
Crespo-Otero, R
Walsh, A
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.
Date Issued
2017-11-01
Date Acceptance
2017-11-01
Citation
ACS Energy Letters, 2017, 2, pp.2713-2714
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
The Royal Society
Grant Number
UF150657
Publication Status
Published
Date Publish Online
2017-11-01