Metastable Monolayer Formation through a Connector Structure
Fuente:
arXiv
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| Autores principales: | , , |
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| Formato: | Preprint |
| Publicado: |
2025
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| Acceso en línea: | |
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| _version_ | 1866918095428255744 |
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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 |