Computational NEXAFS Characterization of Molecular Model Systems for 2D Boroxine Frameworks

The electronic properties of 2D boroxine networks are computationally investigated by simulating the NEXAFS spectra of a series of molecular models, with or without morphologic defects, with respect to the ideal honeycomb structure. The models represent portions of an irregular 2D boroxine framework...

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Detalles Bibliográficos
Autores principales: Toffoli, Daniele, Bernes, Elisa, Cossaro, Albano, Balducci, Gabriele, Stener, Mauro, Mauri, Silvia, Fronzoni, Giovanna
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9100003/
https://www.ncbi.nlm.nih.gov/pubmed/35564319
http://dx.doi.org/10.3390/nano12091610

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9100003/
https://www.ncbi.nlm.nih.gov/pubmed/35564319
http://dx.doi.org/10.3390/nano12091610

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