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Autori principali: Hollweger, Simon B., Werkovits, Anna, Hofmann, Oliver T.
Natura: Preprint
Pubblicazione: 2025
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Accesso online:https://arxiv.org/abs/2503.07308
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author Hollweger, Simon B.
Werkovits, Anna
Hofmann, Oliver T.
author_facet Hollweger, Simon B.
Werkovits, Anna
Hofmann, Oliver T.
contents The intentional growth of metastable surface structures of organic molecules adsorbed on inorganic substrates is a challenging task. It is usually unclear which kinetic mechanism leads to the metastable surface polymorph after a deposition experiment. In this work we investigate a growth procedure that allows to intentionally grow a defined metastable surface structure starting from thermodynamic equilibrium. This procedure is applicable to organic-inorganic interface systems that exhibit a thermodynamically stable connector structure that can be exploited to grow the metastable target structure. With specific temperature and pressure changes in the system a significant yield of the target polymorph can be achieved. We demonstrate this procedure on a simplified microscopic interface system of rectangular molecules adsorbing on a square lattice substrate with kinetic Monte Carlo growth simulations.
format Preprint
id arxiv_https___arxiv_org_abs_2503_07308
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Metastable Monolayer Formation through a Connector Structure
Hollweger, Simon B.
Werkovits, Anna
Hofmann, Oliver T.
Materials Science
Computational Physics
The intentional growth of metastable surface structures of organic molecules adsorbed on inorganic substrates is a challenging task. It is usually unclear which kinetic mechanism leads to the metastable surface polymorph after a deposition experiment. In this work we investigate a growth procedure that allows to intentionally grow a defined metastable surface structure starting from thermodynamic equilibrium. This procedure is applicable to organic-inorganic interface systems that exhibit a thermodynamically stable connector structure that can be exploited to grow the metastable target structure. With specific temperature and pressure changes in the system a significant yield of the target polymorph can be achieved. We demonstrate this procedure on a simplified microscopic interface system of rectangular molecules adsorbing on a square lattice substrate with kinetic Monte Carlo growth simulations.
title Metastable Monolayer Formation through a Connector Structure
topic Materials Science
Computational Physics
url https://arxiv.org/abs/2503.07308