Energy and Electronic Properties of Nanostructures Based on the CL-20 Framework with the Replacement of the Carbon Atoms by Silicon and Germanium: A Density Functional Theory Study

We consider Si(n)CL-20 and Ge(n)CL-20 systems with carbon atoms replaced by silicon/germanium atoms and their dimers. The physicochemical properties of the silicon/germanium analogs of the high-energy molecule CL-20 and its dimers were determined and studied using density functional theory with the...

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Detalles Bibliográficos
Autores principales: Gimaldinova, Margarita A., Maslov, Mikhail M., Katin, Konstantin P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9572965/
https://www.ncbi.nlm.nih.gov/pubmed/36233924
http://dx.doi.org/10.3390/ma15196577

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9572965/
https://www.ncbi.nlm.nih.gov/pubmed/36233924
http://dx.doi.org/10.3390/ma15196577

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