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Understanding the formation of polytypes, stacking faults, and grain boundaries during crystallization of FAPbI3 perovskite

25 May 2022, Version 1
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

Control over morphological evolution is essential to make efficient, stable and reproducible perovskite electronics. In this letter, molecular dynamics simulations are performed to understand the crystallization of polytypes, stacking faults and grain boundaries of formamidinium lead iodide.

Keywords

Formamidinium lead iodide
Polytypes
Stacking faults
Twin grain boundaries
MD simulations

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Version History

May 25, 2022 Version 1

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The content is available under CC BY 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv-2022-hqj6f
D O I: 10.26434/chemrxiv-2022-hqj6f [opens in a new tab]

Funding

Swiss National Science Foundation

Author’s competing interest statement

The author(s) have declared they have no conflict of interest with regard to this content

Ethics

The author(s) declare that they have sought and gained approval from the relevant ethics committee/IRB for this research and its publication.

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