The Verification of Thermoelectric Performance Obtained by High-Throughput Calculations: The Case of GeS2 Monolayer From First-Principles Calculations

The Verification of Thermoelectric Performance Obtained by High-Throughput Calculations: The Case of GeS2 Monolayer From First-Principles Calculations

Electronic fitness function (EFF, achieved by the electrical transport properties) as a new quantity to estimate thermoelectric (TE) performance of semiconductor crystals is usually used for screening novel TE materials. In recent years, because of the high EFF values, an increasing number of two-di...

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Bibliographic Details
Main Authors: Xiaolian Wang, Wei Feng, Chen Shen, Zhehao Sun, Hangbo Qi, Mao Yang, Yonghui Liu, Yuchen Wu, Xiaoqiang Wu
Format: Article
Language:English
Published: Frontiers Media S.A. 2021-07-01
Series:Frontiers in Materials
Subjects:
GeS2 monolayer
thermoelectric
transport property
high-throughput calculations
first-principles calculations
Online Access:https://www.frontiersin.org/articles/10.3389/fmats.2021.709757/full

Internet

https://www.frontiersin.org/articles/10.3389/fmats.2021.709757/full

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