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Hydrogenated derivatives of hexacoordinated metallic Cu(2)Si monolayer
Herein, we carried out first-principles calculations based on density functional theory to investigate the effects of surface functionalization with hydrogen atoms on structural, dynamical and electronic properties of Cu(2)Si monolayer. Pristine Cu(2)Si, a metallic monolayer, has a planar hexacoordi...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9091276/ https://www.ncbi.nlm.nih.gov/pubmed/35558203 http://dx.doi.org/10.1039/c8ra07824f |