High-throughput density functional theory screening of double transition metal MXene precursors

High-throughput density functional theory screening of double transition metal MXene precursors

Abstract MXenes are an emerging class of 2D materials of interest in applications ranging from energy storage to electromagnetic shielding. MXenes are synthesized by selective etching of layered bulk MAX phases into sheets of 2D MXenes. Their chemical tunability has been significantly expanded with...

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Bibliographic Details
Main Authors:	Kat Nykiel, Alejandro Strachan
Format:	Article
Language:	English
Published:	Nature Portfolio 2023-11-01
Series:	Scientific Data
Online Access:	https://doi.org/10.1038/s41597-023-02755-2

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