Structural, electronic, and optical properties of (2D)MXenes Zr₂CT₂(T = O and F) studied using the (DFT + U) method
Abstract In this study, we investigate the effects of electron-electron interactions on the structural, electronic, and optical properties of the (2D)MXenes Zr₂CO₂ and Zr₂CF₂. The objective is to enhance the understanding of these interactions and their impact on the electronic and optical character...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-07-01
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| Series: | Scientific Reports |
| Subjects: | |
| Online Access: | https://doi.org/10.1038/s41598-025-04556-6 |
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