Cargando…
Computational Exploration on the Structural and Optical Properties of Gold-Doped Alkaline-Earth Magnesium AuMg(n) (n = 2–12) Nanoclusters: DFT Study
Using CALYPSO crystal search software, the structural growth mechanism, relative stability, charge transfer, chemical bonding and optical properties of AuMg(n) (n = 2–12) nanoclusters were extensively investigated based on DFT. The shape development uncovers two interesting properties of AuMg(n) nan...
| Autores principales: | , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2022
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9001918/ https://www.ncbi.nlm.nih.gov/pubmed/35425762 http://dx.doi.org/10.3389/fchem.2022.870985 |