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Si(2)Ge: A New VII-Type Clathrate with Ultralow Thermal Conductivity and High Thermoelectric Property
Based on global particle-swarm optimization algorithm and density functional theory methods, we predicted an alloyed Si(2)Ge compond with body centered tetragonal type VII clathrate (space group I4/mmm) built by a truncated octahedron fromed by six quadrangles and eight hexagons ([4(6)6(8)]). Si(2)G...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7033159/ https://www.ncbi.nlm.nih.gov/pubmed/32080248 http://dx.doi.org/10.1038/s41598-020-59820-8 |