Adsorption of Gas Molecules on Graphene Nanoribbons and Its Implication for Nanoscale Molecule Sensor

By Bing Huang, Zuanyi Li, Zhirong Liu, Gang Zhou, Shaogang Hao, Jian Wu, B. Gu, Wenhui Duan. 2008

517 citations recorded by the source corpus.

We have studied the adsorption of gas molecules (CO, NO, NO2, O2, N2, CO2, and NH3) on graphene nanoribbons (GNRs) using first principles methods. The adsorption geometries, adsorption energies, charge transfer, and electronic band structures are obtained. We find that the electronic and transport properties of the GNR with armchair-shaped edges are sensitive to the adsorption of NH3, and the system exhibits n-type semiconducting behavior after NH3 adsorption. Other gas molecules have little effect on modifying the conductance of GNRs. Quantum transport calculations further indicate that NH3 molecules can be detected out of these gas molecules by the GNR-based sensor.

Subfields: Electrical and Electronic Engineering, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/c983780ef7bc6265fdf9f9d7355b519e903d4d70

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In Electrical and Electronic Engineering

1. D. Late
2. C. Rao
3. A. Govindaraj
4. U. Sur
5. Il‐Doo Kim
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In Materials Chemistry

1. D. Late
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7. A. Govindaraj
8. U. Sur

Citations in the corpus

• Frontiers of graphene and 2D material-based gas sensors for environmental monitoring (2020, background): “012 [103, 104] H2S Inert N/A N/A [110] CH4 Inert N/A N/A [111] N2 Inert N/A N/A [112]”