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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2019
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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 |