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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...

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Publicado en:Sci Rep
Autores principales: Shen, Jinni, Xie, Tianzhu, Zhang, Longkun, Wang, Ping, Fang, Zhenxing
Formato: Artigo
Lenguaje:Inglês
Publicado: Nature Publishing Group UK 2020
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC7033159/
https://ncbi.nlm.nih.gov/pubmed/32080248
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-020-59820-8
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