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Global optimization and oxygen dissociation on polyicosahedral Ag(32)Cu(6) core-shell cluster for alkaline fuel cells
The structure of 38 atoms Ag-Cu cluster is studied by using a combination of a genetic algorithm global optimization technique and density functional theory (DFT) calculations. It is demonstrated that the truncated octahedral (TO) Ag(32)Cu(6) core-shell cluster is less stable than the polyicosahedra...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group
2015
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4493688/ https://www.ncbi.nlm.nih.gov/pubmed/26148904 http://dx.doi.org/10.1038/srep11984 |