What question did this study set out to answer?

To explore the theoretical electronic, magnetic, and transport properties of Cr-doped Nb₃C₂ MXene for lithium-ion battery applications.

April 10, 2026Materials Advances0 citationsOpen Access

DFT-Driven Insights into the Electronic, Magnetic, and Transport Properties of 2D Nb₃C₂ MXene for High-Performance Li-Ion Batteries

STSamia Tahira SSSafwara Siddiqua FMFouzia Malik

Key Points

To explore the theoretical electronic, magnetic, and transport properties of Cr-doped Nb₃C₂ MXene for lithium-ion battery applications.
Utilized density functional theory (DFT) for computational analysis
Investigated electronic structure and magnetic characteristics of Nb₃C₂ MXene
Examined transport properties concerning lithium-ion conductivity
Cr-doped Nb₃C₂ MXene exhibits enhanced electronic and magnetic properties
Demonstrated significant potential for application in lithium-ion batteries
Found improved lithium-ion transport characteristics compared to undoped MXene

Abstract

The Two-dimensional material ‘MXene’ has attained significant attention for its outstanding characteristics inherent to nanostructures. However, to date, Nb₃C₂ MXene, particularly in Cr-doped form, has not been theoretically explored for...

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Cite This Study

Tahira et al. (Thu,) studied this question.

synapsesocial.com/papers/69d894326c1944d70ce051af https://doi.org/https://doi.org/10.1039/d5ma01336d

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