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Prediction of superior thermoelectric performance in unexplored doped-BiCuSeO via machine learning

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成果类型:
期刊论文
作者:
He, Zhijian;Peng, Jinlin;Lei, Chihou;Xie, Shuhong*;Zou, Daifeng;...
通讯作者:
Xie, Shuhong;Liu, YY;Zou, DF
作者机构:
[He, Zhijian; Xie, Shuhong; Xie, SH; Liu, Yunya] Xiangtan Univ, Sch Mat Sci & Engn, Key Lab Low Dimens Mat & Applicat Technol, Minist Educ, Xiangtan 411105, Peoples R China.
[Peng, Jinlin] Hunan City Univ, Coll Informat & Elect Engn, All Solid State Energy Storage Mat & Devices Key L, Yiyang 413002, Peoples R China.
[Lei, Chihou] St Louis Univ, Dept Aerosp & Mech Engn, St Louis, MO 63103 USA.
[Zou, Daifeng] Hunan Univ Sci & Technol, Sch Phys & Elect Sci, Xiangtan 411201, Peoples R China.
通讯机构:
[Xie, SH; Liu, YY ] X
[Zou, DF ] H
Xiangtan Univ, Sch Mat Sci & Engn, Key Lab Low Dimens Mat & Applicat Technol, Minist Educ, Xiangtan 411105, Peoples R China.
Hunan Univ Sci & Technol, Sch Phys & Elect Sci, Xiangtan 411201, Peoples R China.
语种:
英文
关键词:
BiCuSeO;Thermoelectric;Machine learning;Doping;Prediction
期刊:
Materials & Design
ISSN:
0264-1275
年:
2023
卷:
229
页码:
111868
基金类别:
National Natural Science Foundation of China [12172318]; Hunan Provincial Natural Science Foundation of China [2021JJ10006]; Science and Technology Innovation Program of Hunan Province [2022RC3069]; Scientific Research Fund of Hunan Provincial Education Department [16A202]; Hunan Provincial Innovation Foundation for Post- graduate [CX20220529]; Provost of Saint Louis University
机构署名:
本校为其他机构
院系归属:
信息与电子工程学院
摘要:
BiCuSeO compound is a promising thermoelectric material, which has attracted many experimental stud-ies through trial-and-error approaches to improve its thermoelectric performance by element doping, such that a fast and efficient prediction of thermoelectric property for unexplored and rarely explored doped-BiCuSeO is highly desired. In this work, a machine learning (ML) model for predicting the ZT value of M element doped-BiCuSeO (Bi1-xMxCuSeO) has been established via the correlation analysis for descriptors and the comparison among different ML approaches. The results show that Gradient Bo...

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