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Structural Evolution and Electronic Properties of Two Sulfur Atom-Doped Boron Clusters
[Image: see text] We present a theoretical study of structural evolution, electronic properties, and photoelectron spectra of two sulfur atom-doped boron clusters S(2)B(n)(0/–) (n = 2–13), which reveal that the global minima of the S(2)B(n)(0/–) (n = 2–13) clusters show an evolution from a linear-ch...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10448743/ https://www.ncbi.nlm.nih.gov/pubmed/37636960 http://dx.doi.org/10.1021/acsomega.3c04967 |