First Principles Investigation of the Effect of Vanadium Doping on Electronic Structure, Magnetic, and Optical Properties of Graphene–Boron Nitride Heterostructure
We investigate the effect of vanadium (V) doping on the electronic, magnetic, and optical properties of the graphene/hexagonal boron nitride (G/h-BN) heterostructure using spin-polarized density functional theory (DFT). Defect formation energy calculations show that the V atom prefers substituting b...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Wiley
2025-01-01
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| Series: | Advances in Condensed Matter Physics |
| Online Access: | http://dx.doi.org/10.1155/acmp/4219055 |
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