Density Functional Theory Study of B, N, and Si Doped Penta-Graphene as the Potential Gas Sensors for NH<sub>3</sub> Detection
Designing a high-performance gas sensor to efficiently detect the hazardous NH<sub>3</sub> molecule is beneficial to air monitoring and pollution control. In this work, the first-principles calculations were employed to investigate the adsorption structures, electronic characteristics, a...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-01-01
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| Series: | Membranes |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2077-0375/12/1/77 |