Cargando…
Structures, and electronic and spectral properties of single-atom transition metal-doped boron clusters MB(24)(−) (M = Sc, Ti, V, Cr, Mn, Fe, Co, and Ni)
A theoretical study of geometrical structures, electronic properties, and spectral properties of single-atom transition metal-doped boron clusters MB(24)(−) (M = Sc, Ti, V, Cr, Mn, Fe, Co, and Ni) is performed using the CALYPSO approach for the global minimum search, followed by density functional t...
| Autores principales: | , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9169616/ https://www.ncbi.nlm.nih.gov/pubmed/35754907 http://dx.doi.org/10.1039/d2ra02500k |