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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...

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Detalles Bibliográficos
Autores principales: Li, Shi-Xiong, Yang, Yue-Ju, Chen, De-Liang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
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