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Quantum-Mechanical Assessment of the Energetics of Silver Decahedron Nanoparticles
We present a quantum-mechanical study of silver decahedral nanoclusters and nanoparticles containing from 1 to 181 atoms in their static atomic configurations corresponding to the minimum of the ab initio computed total energies. Our thermodynamic analysis compares T = 0 K excess energies (without a...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7221515/ https://www.ncbi.nlm.nih.gov/pubmed/32316217 http://dx.doi.org/10.3390/nano10040767 |