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Hu ZY, Li KY, Lu Y, et al. High thermoelectric performances of monolayer SnSe allotropes. Nanoscale. 2017;9(41):16093-16100doi: 10.1039/c7nr04766e.
Hu, Z. Y., Li, K. Y., Lu, Y., Huang, Y., & Shao, X. H. (2017). High thermoelectric performances of monolayer SnSe allotropes. Nanoscale, 9(41), 16093-16100. https://doi.org/10.1039/c7nr04766e
Hu, Zi-Yu, et al. "High thermoelectric performances of monolayer SnSe allotropes." Nanoscale vol. 9,41 (2017): 16093-16100. doi: https://doi.org/10.1039/c7nr04766e
Hu ZY, Li KY, Lu Y, Huang Y, Shao XH. High thermoelectric performances of monolayer SnSe allotropes. Nanoscale. 2017 Oct 26;9(41):16093-16100. doi: 10.1039/c7nr04766e. PMID: 29038807.
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Nanoscale. 2017 Oct 26;9(41):16093-16100. doi: 10.1039/c7nr04766e.

High thermoelectric performances of monolayer SnSe allotropes.

Nanoscale

Zi-Yu Hu, Kai-Yue Li, Yong Lu, Yan Huang, Xiao-Hong Shao

Affiliations

  1. College of Science, Beijing University of Chemical Technology, Beijing, 100029, People's Republic of China. [email protected].

PMID: 29038807 DOI: 10.1039/c7nr04766e

Abstract

α-SnSe is one of the most promising thermoelectric materials with low thermal conductivity and a high power factor. Since the thermoelectric properties of a material have a strong dependence on its crystal structure, we study the energetic and thermoelectric properties of four new monolayer phases of SnSe (β, γ, δ and ε) together with α-SnSe using the ab initio density functional theory method. The calculated electronic structures show that all five phases are semiconductors with different band gaps. The α, β, γ, and δ phases have an indirect band gap with the hybridization of sp

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