Structures, Electronic, and Spectral Properties of Doped Boron Clusters MB(12)(0/–) (M = Li, Na, and K)

[Image: see text] Structures and electronic properties of alkali metal atom-doped boron clusters MB(12)(0/–) (M = Li, Na, K) are determined using the CALYPSO method for the global minimum search followed by density functional theory. It is found that the global minima obtained for the neutral cluste...

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Detalles Bibliográficos
Autores principales: Li, Shi-Xiong, Zhang, Zheng-Ping, Long, Zheng-Wen, Chen, De-Liang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7439372/
https://www.ncbi.nlm.nih.gov/pubmed/32832805
http://dx.doi.org/10.1021/acsomega.0c02693

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7439372/
https://www.ncbi.nlm.nih.gov/pubmed/32832805
http://dx.doi.org/10.1021/acsomega.0c02693

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