A First-Principles Study on Hydrogen Sensing Properties of Pristine and Mo-Doped Graphene
The adsorption of H2 on the pristine and Mo-doped graphene was investigated by density functional theory (DFT) calculations. The structural and electronic properties of H2-graphene systems were studied to understand the interaction between H2 molecule and graphene-based material. Our calculation res...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Wiley
2018-01-01
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| Series: | Journal of Nanotechnology |
| Online Access: | http://dx.doi.org/10.1155/2018/2031805 |
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