First-Principles Calculations of Thermoelectric Properties of IV–VI Chalcogenides 2D Materials

First-Principles Calculations of Thermoelectric Properties of IV–VI Chalcogenides 2D Materials

A first-principles study using density functional theory and Boltzmann transport theory has been performed to evaluate the thermoelectric (TE) properties of a series of single-layer 2D materials. The compounds studied are SnSe, SnS, GeS, GeSe, SnSe2, and SnS2, all of which belong to the IV–VI chalco...

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Bibliographic Details
Main Authors: J. O. Morales-Ferreiro, D. E. Diaz-Droguett, D. Celentano, T. Luo
Format: Article
Language:English
Published: Frontiers Media S.A. 2017-12-01
Series:Frontiers in Mechanical Engineering
Subjects:
ZT
Seebeck coefficient
electrical conductivity
electronic thermal conductivity
power factor
lattice thermal conductivity
Online Access:http://journal.frontiersin.org/article/10.3389/fmech.2017.00015/full

Internet

http://journal.frontiersin.org/article/10.3389/fmech.2017.00015/full

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