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

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

Research output: Contribution to journalArticlepeer-review

46 Citations (Scopus)


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 languageEnglish
Pages (from-to)2713-2714
Number of pages2
JournalACS Energy Letters
Issue number12
Publication statusPublished - 2017 Dec 8

Bibliographical note

Publisher Copyright:
© 2017 American Chemical Society.

All Science Journal Classification (ASJC) codes

  • Chemistry (miscellaneous)
  • Renewable Energy, Sustainability and the Environment
  • Fuel Technology
  • Energy Engineering and Power Technology
  • Materials Chemistry


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