Prediction of Thermal Transport Properties of Pristine and BN-Substituted Holey Graphynes

The merging of pore designs is a potential strategy for achieving ultra-low lattice thermal conductivity (<i>κ</i>), for which phonon anharmonicity and size effect are indispensable for discovering novel functional materials in thermal applications. In this study, monolayer holey graphyn...

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Bibliographic Details

Published in:	Inorganics
Main Authors:	Qingchen Li, Yujie Zhang, Yanlong Liu, Yan Gao, Baoxia Deng
Format:	Article
Language:	English
Published:	MDPI AG 2025-04-01
Subjects:	HGY and BN-HGY thermal conductivity anharmonicity first-principle calculation
Online Access:	https://www.mdpi.com/2304-6740/13/4/128