Highly Deformable Van der Waals Chalcogenides with Superior Thermoelectric Performance from Interpretable Machine Learning.

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Tác giả: Jiawang Hong, Qi Ren, Gang Tang, Bonan Zhu

Ngôn ngữ: eng

Ký hiệu phân loại: 017.3 *+Classified auction catalogs

Thông tin xuất bản: Germany : Small (Weinheim an der Bergstrasse, Germany) , 2025

Mô tả vật lý:

Bộ sưu tập: NCBI

ID: 208820

Van der Waals (vdW) chalcogenide-based flexible thermoelectric devices hold great promise for wearable electronics. However, intrinsic vdW chalcogenides that combine high flexibility with superior thermoelectric figures of merit (ZT) remain extremely rare. Consequently, there is an urgent need to develop methods capable of high-throughput screening to identify potential vdW chalcogenides with both robust flexibility and favorable ZT value. In this study, over 1000 vdW chalcogenides are high-throughput screened for their flexibility and ZT values. Flexibility is evaluated using the previously developed deformability factor, while ZT values are predicted using a machine learning model. Several candidates with large deformability and high ZT are successfully identified. Among these, NbSe
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