Controlled nucleation in methylamine-treated perovskite films by artificial seeding and phase-field simulations

Fuente: arXiv
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Main Authors: Schütz, Emilia R., Majewski, Martin, Ronsin, Olivier J. J., Harting, Jens, Schmidt-Mende, Lukas
Format: Preprint
Published: 2025
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author Schütz, Emilia R.
Majewski, Martin
Ronsin, Olivier J. J.
Harting, Jens
Schmidt-Mende, Lukas
author_facet Schütz, Emilia R.
Majewski, Martin
Ronsin, Olivier J. J.
Harting, Jens
Schmidt-Mende, Lukas
contents Large perovskite crystals with reduced defect density enable superior charge transport and stability. Therefore, controlling their nucleation and growth is key to advancing high-performance optoelectronic devices based on perovskite semiconductors. Millimeter-scale perovskite crystals can be synthesized as a continuous film through methylamine treatment, with nucleation sites directed by pre-patterned seeds. Nonetheless, certain configurations may lead to unwanted parasitic nucleation. To predict and mitigate this effect, we employ phase-field simulations alongside an analytical model. Their predictive capability is demonstrated across three distinct material-substrate systems, enabling precise control over nucleation and subsequent crystal growth. Notably, the only material-specific input required is the nucleation density (i.e., the number of crystals nucleated per unit area on an unpatterned substrate). This generality makes the models broadly applicable to diverse material systems for achieving controlled two-dimensional crystallization for improved optoelectronic device performance.
format Preprint
id arxiv_https___arxiv_org_abs_2511_21407
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Controlled nucleation in methylamine-treated perovskite films by artificial seeding and phase-field simulations
Schütz, Emilia R.
Majewski, Martin
Ronsin, Olivier J. J.
Harting, Jens
Schmidt-Mende, Lukas
Materials Science
Large perovskite crystals with reduced defect density enable superior charge transport and stability. Therefore, controlling their nucleation and growth is key to advancing high-performance optoelectronic devices based on perovskite semiconductors. Millimeter-scale perovskite crystals can be synthesized as a continuous film through methylamine treatment, with nucleation sites directed by pre-patterned seeds. Nonetheless, certain configurations may lead to unwanted parasitic nucleation. To predict and mitigate this effect, we employ phase-field simulations alongside an analytical model. Their predictive capability is demonstrated across three distinct material-substrate systems, enabling precise control over nucleation and subsequent crystal growth. Notably, the only material-specific input required is the nucleation density (i.e., the number of crystals nucleated per unit area on an unpatterned substrate). This generality makes the models broadly applicable to diverse material systems for achieving controlled two-dimensional crystallization for improved optoelectronic device performance.
title Controlled nucleation in methylamine-treated perovskite films by artificial seeding and phase-field simulations
topic Materials Science
url https://arxiv.org/abs/2511.21407