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

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

doi:10.1021/acsenergylett.7b00995

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

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

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

49 Citations (Scopus)

62 Downloads (Pure)

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.

Original language	English
Pages (from-to)	2713-2714
Number of pages	2
Journal	ACS Energy Letters
Volume	2
Issue number	12
Early online date	1 Nov 2017
DOIs	https://doi.org/10.1021/acsenergylett.7b00995
Publication status	Published - 8 Dec 2017
Externally published	Yes

Access to Document

10.1021/acsenergylett.7b00995

VH_Defects_V5Accepted author manuscript, 616 KB

http://hdl.handle.net/10044/1/53069

Cite this

@article{af50462b540a4522b0b35ddf563b1d88,

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",

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",

}

TY - JOUR

T1 - H-Center and V-Center Defects in Hybrid Halide Perovskites

AU - Whalley, Lucy D.

AU - Crespo-Otero, Rachel

AU - Walsh, Aron

PY - 2017/12/8

Y1 - 2017/12/8

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85038239093&partnerID=8YFLogxK

U2 - 10.1021/acsenergylett.7b00995

DO - 10.1021/acsenergylett.7b00995

M3 - Article

AN - SCOPUS:85038239093

SN - 2380-8195

VL - 2

SP - 2713

EP - 2714

JO - ACS Energy Letters

JF - ACS Energy Letters

IS - 12

ER -

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

Abstract

Access to Document

Other files and links

Fingerprint

Cite this