Vacancy formation energy as a descriptor of the exfoliability of MAX phases to MXenes

Abstract A thermodynamic descriptor for chemical exfoliation of MXenes remains elusive, primarily because the process is dynamic and MXenes are inherently metastable. Here we show that vacancy formation energies provide such a descriptor. Synthesized MXenes exhibit positive vacancy formation energie...

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Bibliographic Details
Main Authors: Ali Muhammad Malik, Karsten Albe, Jochen Rohrer
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:npj 2D Materials and Applications
Online Access:https://doi.org/10.1038/s41699-025-00581-1
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