First-principles exploration of Sc- and Y-based MXenes with halogen terminations

Abstract Transition metal carbides and nitrides (MXenes) have been extensively studied owing to their compositional diversity and tunable properties, with Y- and Sc-based MXenes predicted to exhibit semiconductor behavior. While top-down synthesis of Sc- and Y-based MXenes is hindered by the lack of...

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Bibliographic Details
Main Authors: Kaifeng Niu, Jonas Björk, Johanna Rosen
Format: Article
Language:English
Published: Nature Portfolio 2025-08-01
Series:npj 2D Materials and Applications
Online Access:https://doi.org/10.1038/s41699-025-00589-7
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