@article{028814afbb37432aa46ea80b816c5525,
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.",
author = "Whalley, {Lucy D.} and Rachel Crespo-Otero and Aron Walsh",
note = "Funding Information: This work was supported by the EPSRC (Grants EP/M009580/ 1, EP/L01551X/1, and EP/K016288/1) and the Royal Society. Via our membership of the UK{\textquoteright}s HEC Materials Chemistry Consortium, which is funded by EPSRC (EP/L000202), this work used the ARCHER Supercomputing Service. Publisher Copyright: {\textcopyright} 2017 American Chemical Society.",
year = "2017",
month = dec,
day = "8",
doi = "10.1021/acsenergylett.7b00995",
language = "English",
volume = "2",
pages = "2713--2714",
journal = "ACS Energy Letters",
issn = "2380-8195",
publisher = "American Chemical Society",
number = "12",
}
