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Enhancing thermoelectric performance of gamma-graphyne nanoribbons by introducing edge disorder

Abstract

Structure disorder especially edge disorder is unavoidable when fabricating nanomaterials in experiment. In this paper, through utilizing non-equilibrium Green’s function method, we investigate the influence of edge disorder on thermoelectric performance of gamma( )-graphyne nanoribbons (GYNRs). Our results show that high Seebeck coefficient in pristine -GYNR could be still preserved although edge disorder is introduced to the structure. Meanwhile, in this edge-disordered nanoribbon the suppression of thermal conductance including electronic and phonic contributions outweighs the reduction of electronic conductance. These two positive effects combine together, and finally boost the thermoelectric conversion efficiency of -GYNRs. The thermoelectric figure of merit in the edge-disordered -GYNRs (length and width is about 55.68 and 1.41 nm) could approach 2.5 at room temperature, and even can reach as high as 4.0 at 700 K, which is comparable to the efficiency of conventional energy conversion method. The findings in this paper indicate that the edge-disordered -GYNRs are promising candidate for efficient thermoelectric energy conversion and thermal management of nanodevices.

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Publication details

The article was received on 05 Dec 2017, accepted on 05 Feb 2018 and first published on 06 Feb 2018


Article type: Paper
DOI: 10.1039/C7CP08154E
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    Enhancing thermoelectric performance of gamma-graphyne nanoribbons by introducing edge disorder

    X. Cui, T. Ouyang, J. Li, C. He, C. Tang and J. Zhong, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C7CP08154E

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