September 10, 2025NanoscaleOpen Access

Cutting Edge(s): Towards Realistic Modelling of MXenes Flakes

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This study reveals the structural and energetic properties of Ti2C MXene flakes, showing promising results.
Calculation methods utilizing density functional theory indicate significant findings regarding electronic and magnetic properties.
Assessments using Wulff construction clarify the geometric features and stability of MXene flakes throughout the analysis.
Understanding these properties may enable advancements in materials science, specifically for MXenes in practical applications.

Implication

This analysis demonstrates structural and electronic properties of Ti2C MXene flakes, highlighting their potential applications.

Abstract

We investigate the structural, energetic, electronic, and magnetic properties of newly designed and realistic Ti2C MXene flakes models using Density Functional Theory (DFT) calculations. By means of Wulff construction procedure,...

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Cite This Study

García‐Romeral et al. (2025) studied this question.

synapsesocial.com/papers/68c23c66b210217d64789878 https://doi.org/10.1039/d5nr02231b

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Implication

This analysis demonstrates structural and electronic properties of Ti2C MXene flakes, highlighting their potential applications.

Cutting Edge(s): Towards Realistic Modelling of MXenes Flakes

Key Points

Implication

Abstract

Discussion

Cite This Study

Cutting Edge(s): Towards Realistic Modelling of MXenes Flakes

Key Points

Implication

Abstract

Discussion

Cite This Study

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