☆ 4.5 Article

Conductance and dielectric properties of hydrogen and hydroxyl passivated SiCNWs*

CHINESE PHYSICS B (2021)

Journal

CHINESE PHYSICS B

Volume 30, Issue 10, Pages -

Publisher

IOP Publishing Ltd

DOI: 10.1088/1674-1056/abf130

Keywords

silicon carbide nanowires; passivation; conductance properties; dielectric relaxation

Funding

National Natural Science Foundation of China [11574261]
Natural Science Foundation of Hebei Province, China [A2021203030]

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Abstract

The effects of hydrogen and hydroxyl passivation on the conductivity and dielectric properties of silicon carbide nanowires (SiCNWs) with different sizes were numerically simulated. The carrier concentration plays a leading role in the influencing factors of conductivity, while passivated SiCNWs show a more obvious dielectric response in the far ultraviolet-light region. Hydroxyl passivated SiCNWs have a wide range of applications in electromagnetic absorption and shielding, particularly in the microwave band.

Based on the transport theory and the polarization relaxation model, the effects of hydrogen and hydroxyl passivation on the conductivity and dielectric properties of silicon carbide nanowires (SiCNWs) with different sizes are numerically simulated. The results show that the variation trend of conductivity and band gap of passivated SiCNWs are opposite to the scenario of the size effect of bare SiCNWs. Among the influencing factors of conductivity, the carrier concentration plays a leading role. In the dielectric properties, the bare SiCNWs have a strong dielectric response in the blue light region, while passivated SiCNWs show a more obvious dielectric response in the far ultraviolet-light region. In particular, hydroxyl passivation produces a strong dielectric relaxation in the microwave band, indicating that hydroxyl passivated SiCNWs have a wide range of applications in electromagnetic absorption and shielding.

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Molecular dynamics study of phonon and thermoelectric properties of hydrogen-passivated silicon carbide nanotubes

Hojat Allah Badehian, Khadijeh Gharbavi

Summary: In this study, molecular dynamics simulations were used to calculate the phonon and thermoelectric properties of pure and hydrogen-passivated silicon carbide nanotubes. It was found that armchair tubes are semiconductors, while the direct bandgap of zigzag tubes depends on the tube diameter. Furthermore, hydrogen-passivated SiCNTs were found to be thermally conductive electrical insulators, with higher thermal conductance compared to 2D silicon carbide. The asymmetrical structure of SiCNTs (7, 7) resulted in exceptional thermoelectric coefficients, and all simulated SiCNTs were found to be p-type semiconductors.

VACUUM (2022)