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Thermoelectric Properties of Sb-S System Compounds from DFT Calculations

By combining density functional theory, quantum theory of atoms in molecules and transport properties calculations, we evaluated the thermoelectric properties of Sb-S system compounds and shed light on their relationships with electronic structures. The results show that, for Sb(2)S(3), the large de...

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Detalles Bibliográficos
Autores principales:	Yang, Hailong, Boulet, Pascal, Record, Marie-Christine
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7684470/ https://www.ncbi.nlm.nih.gov/pubmed/33105648 http://dx.doi.org/10.3390/ma13214707

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