High-throughput screening of hypothetical metal-organic frameworks for thermal conductivity

Abstract Thermal energy management in metal-organic frameworks (MOFs) is an important, yet often neglected, challenge for many adsorption-based applications such as gas storage and separations. Despite its importance, there is insufficient understanding of the structure-property relationships govern...

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Bibliographic Details
Main Authors: Meiirbek Islamov, Hasan Babaei, Ryther Anderson, Kutay B. Sezginel, Jeffrey R. Long, Alan J. H. McGaughey, Diego A. Gomez-Gualdron, Christopher E. Wilmer
Format: Article
Language:English
Published: Nature Portfolio 2023-01-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-022-00961-x