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Thermoelectric properties of inhomogeneous BCN alloy nanotubes

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Abstract

The thermoelectric properties of inhomogeneous BCN alloy nanotubes are investigated using a first-principles approach and the non-equilibrium Green’s function method based on virtual crystal approximation. The asymmetric distribution of B, C, and N atoms in these nanotubes causes tilted transmission probabilities around the Fermi level, disrupting electron–hole symmetry under varying temperature gradients. Consequently, the thermal charge currents exhibit fascinating behaviors like negative differential thermal resistance and thermoelectric current switching. Reducing the carbon concentration leads to decreased electrical conductance, electronic thermal conductance and Lorenz number but increased Seebeck coefficient and figure of merit. This emphasizes the significance of carbon concentration in tuning the thermoelectric efficiency of these nanotubes, suggesting a possibility for tailored thermoelectric nanomaterial design.

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  1. Physics Department, Faculty of Science, Malayer University, Malayer, Iran

    Mahdi Darvishi Gilan

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Mahdi Darvishi Gilan: conceptualization, methodology/study design, software, validation, formal analysis, investigation, resources, data curation, writing—original draft, writing—review and editing, visualization, supervision, project administration, funding acquisition.

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Darvishi Gilan, M. Thermoelectric properties of inhomogeneous BCN alloy nanotubes. Appl. Phys. A 130, 302 (2024). https://doi.org/10.1007/s00339-024-07467-x

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