Distinguishing Models for Mixed Halide Lead Perovskite Photosegregation via Terminal Halide Stoichiometry

Pavlovetc, Ilia M.; Ruth, Anthony; Gushchina, Irina; Ngo, Loc; Zhang, Shubin; Zhang, Zhuoming; Kuno, Masaru

doi:10.1021/acsenergylett.1c00790

Distinguishing Models for Mixed Halide Lead Perovskite Photosegregation via Terminal Halide Stoichiometry

Journal Article · Mon May 10 00:00:00 EDT 2021 · ACS Energy Letters

DOI:https://doi.org/10.1021/acsenergylett.1c00790· OSTI ID:1909229

^[1]; Ruth, Anthony ^[2]; ^[3]; ^[3]; ^[3]; Zhang, Zhuoming ^[3]; Kuno, Masaru ^[3]

Univ. of Notre Dame, IN (United States); University of Notre Dame
Hunt Perovskite Technologies, LLC, Dallas, TX (United States)
Univ. of Notre Dame, IN (United States)

Photoinduced halide segregation in mixed halide hybrid perovskites [i.e., APb(I_1–xBr_x)₃] represents an intrinsic instability that impedes their commercialization. Resolving this issue requires developing a microscopic understanding of the phenomenon. Key to this is distinguishing existing models of halide photosegregation by comparing their corresponding predictions to experiment. In this work, we test the temperature dependency of predicted perovskite terminal stoichiometries (x_terminal), following photosegregation, in single and double cation mixed halide perovskites. Our results show a general temperature invariance of x_terminal. This largely supports the idea that band gap difference between parent and halide-segregated perovskite phases drives photosegregation. Beyond this, careful examination of temperature- and halide composition-dependent emission energies suggests an alternative explanation for the enhanced photostability of mixed cation/mixed halide perovskites, linked to band gap energy differences between parent and phase-segregated perovskite phases. Together, our results make inroads in clarifying the microscopic origin of mixed halide perovskite photosegregation and pave the way toward approaches that stabilize their use in applications.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Notre Dame, IN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); US Air Force Office of Scientific Research (AFOSR)

Grant/Contract Number:: SC0014334

OSTI ID:: 1909229

Journal Information:: ACS Energy Letters, Journal Name: ACS Energy Letters Journal Issue: 6 Vol. 6; ISSN 2380-8195

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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