Theoretical analysis of the thermoelectric properties of penta-PdX2 (X = Se, Te) monolayer

Theoretical analysis of the thermoelectric properties of penta-PdX2 (X = Se, Te) monolayer

Based on the successful fabrication of PdSe2 monolayers, the electronic and thermoelectric properties of pentagonal PdX2 (X = Se, Te) monolayers were investigated via first-principles calculations and the Boltzmann transport theory. The results showed that the PdX2 monolayer exhibits an indirect ban...

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Bibliographic Details
Main Authors:	Lei Li, Zhuqin Huang, Jinqi Xu, Haihua Huang
Format:	Article
Language:	English
Published:	Frontiers Media S.A. 2022-11-01
Series:	Frontiers in Chemistry
Subjects:	two-dimensional material thermoelectric material transport property first-principles calculation electronic structure
Online Access:	https://www.frontiersin.org/articles/10.3389/fchem.2022.1061703/full

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