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Structural growth pattern of neutral and negatively charged yttrium-doped silicon clusters YSi(n)(0/−) (n=6–20): from linked to encapsulated structures

A global search for the low energy of neutral and anionic doped Si clusters YSi(n)(0/−) (n = 6–20) was performed using the ABCluster global search technique coupled with a hybrid density functional method (mPW2PLYP). In light of the calculated energies and the measured photoelectron spectroscopy val...

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Detalles Bibliográficos
Autores principales: Liu, Yuming, Yang, Jucai, Li, Suying, Cheng, Lin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9059891/
https://www.ncbi.nlm.nih.gov/pubmed/35520532
http://dx.doi.org/10.1039/c8ra09492f