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Understanding the electronic pi-system of 2D covalent organic frameworks with Wannier functions

We investigate a family of hexagonal 2D covalent organic frameworks (COFs) with phenyl and biphenyl spacer units and different chemical linker species. Chemical trends are elucidated and attributed to microscopic properties of the [Formula: see text] -electron-system spanned by atomic [Formula: see...

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Detalles Bibliográficos
Autores principales:	Merkel, Konrad, Greiner, Johannes, Ortmann, Frank
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9886956/ https://www.ncbi.nlm.nih.gov/pubmed/36717636 http://dx.doi.org/10.1038/s41598-023-28285-w

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