@article{0e67df1810a34a1cb96e785d99ddf1d9,
title = "Hexagonal Stacking Faults Act as Hole-Blocking Layers in Lead Halide Perovskites",
abstract = "The transformation between black (corner sharing) and yellow (face sharing) polytypes of lead halide perovskites is a major performance bottleneck. We investigate phase intermixing through the simulation of stacking faults (nanodomains) that reveal a small thermodynamic cost but large electronic consequences in CsPbI3.",
author = "Park, {Ji Sang} and Zhenzhu Li and Wilson, {Jacob N.} and Yin, {Wan Jian} and Aron Walsh",
note = "Funding Information: We acknowledge the assistance of Caroline Boule and Samantha Hood in the early stages of the project. We are grateful to the UK Materials & Molecular Modelling Hub for resources, funded by EPSRC (EP/P020194/1). Via our membership of the UK{\textquoteright}s HPC Materials Chemistry Consortium (EP/L000202, EP/R029431), this work used the ARCHER Supercomputer. This work was also supported by the National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIT) (No. NRF-2020R1F1A1053606). Funding Information: We acknowledge the assistance of Caroline Boule and Samantha Hood in the early stages of the project. We are grateful to the UK Materials & Molecular Modelling Hub for resources, funded by EPSRC (EP/P020194/1). Via our membership of the UK's HPC Materials Chemistry Consortium (EP/L000202, EP/R029431), this work used the ARCHER Supercomputer. This work was also supported by the National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIT) (No. NRF-2020R1F1A1053606). Publisher Copyright: Copyright {\textcopyright} 2020 American Chemical Society.",
year = "2020",
month = jul,
day = "10",
doi = "10.1021/acsenergylett.0c01124",
language = "English",
volume = "5",
pages = "2231--2233",
journal = "ACS Energy Letters",
issn = "2380-8195",
publisher = "American Chemical Society",
number = "7",
}
